USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 933 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 129 ASN : amide:sc= -1.62 K(o=-5.6,f=-14!) USER MOD Set 1.2: A 132 GLN : amide:sc= -3.98! C(o=-5.6!,f=-21!) USER MOD Set 2.1: A 27 THR OG1 : rot -160:sc= -0.0106 USER MOD Set 2.2: A 59 ASN : amide:sc= -0.588 K(o=-0.6,f=-1.5!) USER MOD Set 3.1: A 30 LYS NZ :NH3+ -179:sc= 0.489 (180deg=0.487) USER MOD Set 3.2: A 46 THR OG1 : rot 78:sc= 0.758 USER MOD Set 4.1: A 36 CYS SG : rot -146:sc= 1.12 USER MOD Set 4.2: A 39 CYS SG : rot 180:sc= -1.38 USER MOD Single : A 10 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0133) USER MOD Single : A 11 THR OG1 : rot -110:sc= -0.545 USER MOD Single : A 14 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.0086) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 140:sc= -1.51! USER MOD Single : A 41 SER OG : rot -49:sc= 0.665 USER MOD Single : A 45 GLN : amide:sc= -0.687 K(o=-0.69,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -85:sc= 1.17 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -101:sc= -2.21! USER MOD Single : A 65 SER OG : rot 160:sc= -0.963 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.75! C(o=-1.8!,f=-4.8!) USER MOD Single : A 79 LYS NZ :NH3+ -122:sc= -0.0272 (180deg=-0.396) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 42:sc= 0.563 USER MOD Single : A 95 ASN : amide:sc= -1.48! C(o=-1.5!,f=-6.3!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot -32:sc= 0.333 USER MOD Single : A 104 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.39) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -111:sc= -0.302! USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.31) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.403 0.120 13.274 1.00 0.00 N ATOM 125 CA LEU A 9 1.097 1.055 12.204 1.00 0.00 C ATOM 126 C LEU A 9 -0.421 1.197 12.076 1.00 0.00 C ATOM 127 O LEU A 9 -1.138 0.200 12.010 1.00 0.00 O ATOM 128 CB LEU A 9 1.787 0.630 10.906 1.00 0.00 C ATOM 129 CG LEU A 9 3.266 1.002 10.779 1.00 0.00 C ATOM 130 CD1 LEU A 9 3.511 2.439 11.246 1.00 0.00 C ATOM 131 CD2 LEU A 9 4.150 0.000 11.524 1.00 0.00 C ATOM 0 HA LEU A 9 1.492 2.044 12.438 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.695 -0.452 10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.248 1.074 10.069 1.00 0.00 H new ATOM 0 HG LEU A 9 3.541 0.953 9.725 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.570 2.679 11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.924 3.125 10.635 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.214 2.538 12.290 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.196 0.288 11.417 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.881 -0.007 12.580 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.003 -0.996 11.106 1.00 0.00 H new ATOM 143 N LYS A 10 -0.865 2.446 12.043 1.00 0.00 N ATOM 144 CA LYS A 10 -2.285 2.731 11.923 1.00 0.00 C ATOM 145 C LYS A 10 -2.554 3.404 10.577 1.00 0.00 C ATOM 146 O LYS A 10 -1.659 4.014 9.994 1.00 0.00 O ATOM 147 CB LYS A 10 -2.771 3.545 13.124 1.00 0.00 C ATOM 148 CG LYS A 10 -2.753 2.702 14.402 1.00 0.00 C ATOM 149 CD LYS A 10 -3.896 3.100 15.338 1.00 0.00 C ATOM 150 CE LYS A 10 -3.902 2.230 16.597 1.00 0.00 C ATOM 151 NZ LYS A 10 -4.443 0.886 16.294 1.00 0.00 N ATOM 0 H LYS A 10 -0.267 3.271 12.097 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.861 1.806 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.137 4.422 13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.782 3.907 12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.839 1.646 14.146 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.799 2.830 14.913 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.794 4.149 15.617 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.849 3.000 14.818 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.889 2.141 16.990 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.504 2.705 17.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.504 0.330 17.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.391 0.979 15.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.815 0.403 15.621 1.00 0.00 H new ATOM 164 N THR A 11 -3.791 3.267 10.119 1.00 0.00 N ATOM 165 CA THR A 11 -4.189 3.854 8.850 1.00 0.00 C ATOM 166 C THR A 11 -4.545 5.331 9.035 1.00 0.00 C ATOM 167 O THR A 11 -4.448 5.864 10.140 1.00 0.00 O ATOM 168 CB THR A 11 -5.336 3.019 8.283 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.211 2.829 9.392 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.899 1.599 7.908 1.00 0.00 C ATOM 0 H THR A 11 -4.530 2.758 10.604 1.00 0.00 H new ATOM 0 HA THR A 11 -3.370 3.837 8.131 1.00 0.00 H new ATOM 0 HB THR A 11 -5.746 3.518 7.405 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.184 1.891 9.673 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.752 1.049 7.510 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.114 1.647 7.153 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.519 1.089 8.794 1.00 0.00 H new ATOM 178 N ALA A 12 -4.950 5.950 7.935 1.00 0.00 N ATOM 179 CA ALA A 12 -5.321 7.353 7.962 1.00 0.00 C ATOM 180 C ALA A 12 -6.637 7.516 8.726 1.00 0.00 C ATOM 181 O ALA A 12 -7.055 8.634 9.020 1.00 0.00 O ATOM 182 CB ALA A 12 -5.410 7.886 6.529 1.00 0.00 C ATOM 0 H ALA A 12 -5.029 5.505 7.021 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.563 7.939 8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.689 8.940 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.443 7.776 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.162 7.322 5.977 1.00 0.00 H new ATOM 188 N ASP A 13 -7.252 6.380 9.026 1.00 0.00 N ATOM 189 CA ASP A 13 -8.511 6.382 9.751 1.00 0.00 C ATOM 190 C ASP A 13 -8.250 6.049 11.221 1.00 0.00 C ATOM 191 O ASP A 13 -9.142 5.574 11.922 1.00 0.00 O ATOM 192 CB ASP A 13 -9.470 5.329 9.190 1.00 0.00 C ATOM 193 CG ASP A 13 -10.780 5.883 8.626 1.00 0.00 C ATOM 194 OD1 ASP A 13 -11.477 6.667 9.284 1.00 0.00 O ATOM 195 OD2 ASP A 13 -11.079 5.470 7.440 1.00 0.00 O ATOM 0 H ASP A 13 -6.902 5.454 8.780 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.959 7.370 9.647 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.958 4.776 8.403 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.705 4.616 9.980 1.00 0.00 H new ATOM 201 N ASN A 14 -7.022 6.309 11.643 1.00 0.00 N ATOM 202 CA ASN A 14 -6.630 6.043 13.018 1.00 0.00 C ATOM 203 C ASN A 14 -7.027 4.611 13.388 1.00 0.00 C ATOM 204 O ASN A 14 -7.379 4.338 14.533 1.00 0.00 O ATOM 205 CB ASN A 14 -7.337 6.993 13.986 1.00 0.00 C ATOM 206 CG ASN A 14 -6.336 7.934 14.660 1.00 0.00 C ATOM 207 OD1 ASN A 14 -6.441 9.147 14.590 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.362 7.308 15.314 1.00 0.00 N ATOM 0 H ASN A 14 -6.284 6.701 11.058 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.552 6.186 13.095 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.084 7.576 13.448 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.867 6.417 14.744 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.643 7.847 15.797 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.333 6.289 15.333 1.00 0.00 H new ATOM 215 N ARG A 15 -6.955 3.737 12.395 1.00 0.00 N ATOM 216 CA ARG A 15 -7.301 2.340 12.602 1.00 0.00 C ATOM 217 C ARG A 15 -6.047 1.465 12.526 1.00 0.00 C ATOM 218 O ARG A 15 -5.029 1.880 11.974 1.00 0.00 O ATOM 219 CB ARG A 15 -8.311 1.864 11.557 1.00 0.00 C ATOM 220 CG ARG A 15 -9.744 2.166 12.000 1.00 0.00 C ATOM 221 CD ARG A 15 -10.318 1.012 12.826 1.00 0.00 C ATOM 222 NE ARG A 15 -11.772 1.201 13.018 1.00 0.00 N ATOM 223 CZ ARG A 15 -12.703 0.904 12.088 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.340 0.400 10.891 1.00 0.00 N ATOM 225 NH2 ARG A 15 -13.977 1.114 12.367 1.00 0.00 N ATOM 0 H ARG A 15 -6.663 3.968 11.446 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.749 2.252 13.592 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.111 2.353 10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.195 0.792 11.396 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.761 3.083 12.589 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.370 2.338 11.125 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.130 0.064 12.322 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -9.819 0.963 13.794 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.091 1.580 13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.354 0.240 10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.051 0.178 10.194 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.244 1.495 13.275 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.693 0.895 11.675 1.00 0.00 H new ATOM 238 N PRO A 16 -6.166 0.241 13.103 1.00 0.00 N ATOM 239 CA PRO A 16 -5.055 -0.696 13.107 1.00 0.00 C ATOM 240 C PRO A 16 -4.867 -1.327 11.726 1.00 0.00 C ATOM 241 O PRO A 16 -5.840 -1.666 11.056 1.00 0.00 O ATOM 242 CB PRO A 16 -5.401 -1.714 14.182 1.00 0.00 C ATOM 243 CG PRO A 16 -6.897 -1.579 14.417 1.00 0.00 C ATOM 244 CD PRO A 16 -7.356 -0.284 13.766 1.00 0.00 C ATOM 0 HA PRO A 16 -4.101 -0.216 13.325 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.146 -2.724 13.861 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.843 -1.520 15.098 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.429 -2.430 13.991 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.116 -1.568 15.485 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.160 -0.463 13.052 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.738 0.418 14.507 1.00 0.00 H new ATOM 252 N ALA A 17 -3.607 -1.466 11.342 1.00 0.00 N ATOM 253 CA ALA A 17 -3.278 -2.051 10.052 1.00 0.00 C ATOM 254 C ALA A 17 -3.511 -3.561 10.107 1.00 0.00 C ATOM 255 O ALA A 17 -3.687 -4.203 9.073 1.00 0.00 O ATOM 256 CB ALA A 17 -1.835 -1.697 9.684 1.00 0.00 C ATOM 0 H ALA A 17 -2.801 -1.184 11.901 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.923 -1.646 9.272 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.588 -2.135 8.717 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.729 -0.614 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.159 -2.090 10.444 1.00 0.00 H new ATOM 262 N SER A 18 -3.506 -4.085 11.325 1.00 0.00 N ATOM 263 CA SER A 18 -3.717 -5.509 11.528 1.00 0.00 C ATOM 264 C SER A 18 -5.080 -5.921 10.971 1.00 0.00 C ATOM 265 O SER A 18 -5.278 -7.075 10.593 1.00 0.00 O ATOM 266 CB SER A 18 -3.615 -5.873 13.010 1.00 0.00 C ATOM 267 OG SER A 18 -4.639 -5.254 13.783 1.00 0.00 O ATOM 0 H SER A 18 -3.359 -3.549 12.180 1.00 0.00 H new ATOM 0 HA SER A 18 -2.937 -6.051 10.994 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.680 -6.955 13.123 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.640 -5.570 13.391 1.00 0.00 H new ATOM 0 HG SER A 18 -4.541 -5.512 14.723 1.00 0.00 H new ATOM 273 N VAL A 19 -5.987 -4.954 10.937 1.00 0.00 N ATOM 274 CA VAL A 19 -7.326 -5.204 10.434 1.00 0.00 C ATOM 275 C VAL A 19 -7.258 -5.486 8.931 1.00 0.00 C ATOM 276 O VAL A 19 -8.174 -6.079 8.365 1.00 0.00 O ATOM 277 CB VAL A 19 -8.243 -4.029 10.780 1.00 0.00 C ATOM 278 CG1 VAL A 19 -9.550 -4.100 9.988 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.514 -3.969 12.284 1.00 0.00 C ATOM 0 H VAL A 19 -5.820 -3.998 11.250 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.754 -6.085 10.911 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.731 -3.110 10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.183 -3.253 10.253 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.331 -4.069 8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.069 -5.029 10.225 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.168 -3.125 12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.995 -4.893 12.604 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.572 -3.846 12.819 1.00 0.00 H new ATOM 289 N TYR A 20 -6.163 -5.048 8.329 1.00 0.00 N ATOM 290 CA TYR A 20 -5.962 -5.246 6.903 1.00 0.00 C ATOM 291 C TYR A 20 -4.696 -6.062 6.637 1.00 0.00 C ATOM 292 O TYR A 20 -4.137 -6.009 5.543 1.00 0.00 O ATOM 293 CB TYR A 20 -5.789 -3.849 6.304 1.00 0.00 C ATOM 294 CG TYR A 20 -7.106 -3.115 6.048 1.00 0.00 C ATOM 295 CD1 TYR A 20 -7.848 -3.401 4.920 1.00 0.00 C ATOM 296 CD2 TYR A 20 -7.551 -2.164 6.944 1.00 0.00 C ATOM 297 CE1 TYR A 20 -9.087 -2.710 4.678 1.00 0.00 C ATOM 298 CE2 TYR A 20 -8.791 -1.472 6.702 1.00 0.00 C ATOM 299 CZ TYR A 20 -9.498 -1.780 5.581 1.00 0.00 C ATOM 300 OH TYR A 20 -10.670 -1.127 5.354 1.00 0.00 O ATOM 0 H TYR A 20 -5.405 -4.556 8.802 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.803 -5.786 6.468 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.176 -3.250 6.977 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.243 -3.933 5.364 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.499 -4.144 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.970 -1.939 7.826 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.677 -2.925 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.151 -0.726 7.395 1.00 0.00 H new ATOM 0 HH TYR A 20 -10.837 -0.493 6.082 1.00 0.00 H new ATOM 310 N LEU A 21 -4.281 -6.801 7.655 1.00 0.00 N ATOM 311 CA LEU A 21 -3.091 -7.629 7.544 1.00 0.00 C ATOM 312 C LEU A 21 -3.419 -9.049 8.008 1.00 0.00 C ATOM 313 O LEU A 21 -3.583 -9.294 9.202 1.00 0.00 O ATOM 314 CB LEU A 21 -1.922 -6.991 8.296 1.00 0.00 C ATOM 315 CG LEU A 21 -0.860 -6.309 7.430 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.199 -5.152 8.182 1.00 0.00 C ATOM 317 CD2 LEU A 21 0.166 -7.323 6.921 1.00 0.00 C ATOM 0 H LEU A 21 -4.747 -6.844 8.561 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.771 -7.698 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.322 -6.254 8.992 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.435 -7.762 8.893 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.353 -5.884 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.551 -4.685 7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.955 -4.415 8.453 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.278 -5.531 9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.909 -6.812 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.659 -7.798 7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.338 -8.082 6.322 1.00 0.00 H new ATOM 329 N LYS A 22 -3.504 -9.949 7.040 1.00 0.00 N ATOM 330 CA LYS A 22 -3.809 -11.339 7.334 1.00 0.00 C ATOM 331 C LYS A 22 -2.515 -12.155 7.318 1.00 0.00 C ATOM 332 O LYS A 22 -1.771 -12.128 6.339 1.00 0.00 O ATOM 333 CB LYS A 22 -4.880 -11.867 6.379 1.00 0.00 C ATOM 334 CG LYS A 22 -5.495 -13.165 6.907 1.00 0.00 C ATOM 335 CD LYS A 22 -6.798 -12.886 7.662 1.00 0.00 C ATOM 336 CE LYS A 22 -7.219 -14.097 8.495 1.00 0.00 C ATOM 337 NZ LYS A 22 -8.270 -13.719 9.465 1.00 0.00 N ATOM 0 H LYS A 22 -3.367 -9.743 6.051 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.233 -11.432 8.334 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.660 -11.117 6.251 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.442 -12.042 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.690 -13.844 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.787 -13.665 7.568 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.668 -12.021 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.587 -12.636 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.588 -14.886 7.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.355 -14.500 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.544 -14.553 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.906 -12.982 10.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.100 -13.356 8.954 1.00 0.00 H new ATOM 350 N LYS A 23 -2.285 -12.863 8.415 1.00 0.00 N ATOM 351 CA LYS A 23 -1.093 -13.685 8.538 1.00 0.00 C ATOM 352 C LYS A 23 -1.354 -15.053 7.904 1.00 0.00 C ATOM 353 O LYS A 23 -0.619 -16.006 8.153 1.00 0.00 O ATOM 354 CB LYS A 23 -0.643 -13.760 9.998 1.00 0.00 C ATOM 355 CG LYS A 23 0.862 -14.016 10.097 1.00 0.00 C ATOM 356 CD LYS A 23 1.559 -12.900 10.875 1.00 0.00 C ATOM 357 CE LYS A 23 3.079 -13.026 10.774 1.00 0.00 C ATOM 358 NZ LYS A 23 3.738 -12.247 11.846 1.00 0.00 N ATOM 0 H LYS A 23 -2.904 -12.884 9.226 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.262 -13.235 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.891 -12.828 10.507 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.185 -14.556 10.509 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.040 -14.972 10.589 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.289 -14.088 9.097 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.245 -11.931 10.487 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.256 -12.938 11.921 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.368 -14.074 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.415 -12.671 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.770 -12.344 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.476 -11.244 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.431 -12.604 12.773 1.00 0.00 H new ATOM 371 N ASP A 24 -2.404 -15.105 7.098 1.00 0.00 N ATOM 372 CA ASP A 24 -2.772 -16.340 6.428 1.00 0.00 C ATOM 373 C ASP A 24 -3.058 -16.048 4.953 1.00 0.00 C ATOM 374 O ASP A 24 -3.550 -16.913 4.230 1.00 0.00 O ATOM 375 CB ASP A 24 -4.034 -16.946 7.043 1.00 0.00 C ATOM 376 CG ASP A 24 -4.219 -18.445 6.793 1.00 0.00 C ATOM 377 OD1 ASP A 24 -5.300 -18.896 6.386 1.00 0.00 O ATOM 378 OD2 ASP A 24 -3.180 -19.171 7.037 1.00 0.00 O ATOM 0 H ASP A 24 -3.012 -14.312 6.894 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.946 -17.042 6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.016 -16.772 8.119 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.902 -16.417 6.649 1.00 0.00 H new ATOM 384 N LYS A 25 -2.738 -14.828 4.551 1.00 0.00 N ATOM 385 CA LYS A 25 -2.954 -14.411 3.176 1.00 0.00 C ATOM 386 C LYS A 25 -1.879 -13.398 2.779 1.00 0.00 C ATOM 387 O LYS A 25 -1.253 -12.782 3.641 1.00 0.00 O ATOM 388 CB LYS A 25 -4.383 -13.895 2.991 1.00 0.00 C ATOM 389 CG LYS A 25 -5.380 -15.055 2.929 1.00 0.00 C ATOM 390 CD LYS A 25 -5.146 -15.913 1.684 1.00 0.00 C ATOM 391 CE LYS A 25 -6.343 -15.842 0.735 1.00 0.00 C ATOM 392 NZ LYS A 25 -6.589 -17.160 0.109 1.00 0.00 N ATOM 0 H LYS A 25 -2.330 -14.113 5.154 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.856 -15.261 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.643 -13.230 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.446 -13.307 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.283 -15.671 3.823 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.398 -14.665 2.920 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.248 -15.574 1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.972 -16.948 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.230 -15.522 1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.158 -15.095 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.405 -17.093 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.748 -17.451 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.787 -17.864 0.848 1.00 0.00 H new ATOM 405 N PRO A 26 -1.692 -13.252 1.440 1.00 0.00 N ATOM 406 CA PRO A 26 -0.703 -12.324 0.918 1.00 0.00 C ATOM 407 C PRO A 26 -1.188 -10.879 1.043 1.00 0.00 C ATOM 408 O PRO A 26 -2.370 -10.598 0.848 1.00 0.00 O ATOM 409 CB PRO A 26 -0.482 -12.755 -0.523 1.00 0.00 C ATOM 410 CG PRO A 26 -1.684 -13.606 -0.893 1.00 0.00 C ATOM 411 CD PRO A 26 -2.415 -13.965 0.390 1.00 0.00 C ATOM 0 HA PRO A 26 0.234 -12.349 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.399 -11.890 -1.181 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.444 -13.322 -0.623 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.344 -13.061 -1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.366 -14.508 -1.416 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.460 -13.658 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.406 -15.041 0.563 1.00 0.00 H new ATOM 419 N THR A 27 -0.252 -9.998 1.365 1.00 0.00 N ATOM 420 CA THR A 27 -0.570 -8.590 1.519 1.00 0.00 C ATOM 421 C THR A 27 0.282 -7.745 0.567 1.00 0.00 C ATOM 422 O THR A 27 1.509 -7.809 0.606 1.00 0.00 O ATOM 423 CB THR A 27 -0.384 -8.219 2.992 1.00 0.00 C ATOM 424 OG1 THR A 27 -1.408 -8.948 3.663 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.722 -6.755 3.274 1.00 0.00 C ATOM 0 H THR A 27 0.728 -10.233 1.523 1.00 0.00 H new ATOM 0 HA THR A 27 -1.606 -8.387 1.248 1.00 0.00 H new ATOM 0 HB THR A 27 0.646 -8.417 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.575 -8.545 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.573 -6.545 4.333 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.072 -6.111 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.762 -6.564 3.009 1.00 0.00 H new ATOM 433 N LEU A 28 -0.404 -6.974 -0.262 1.00 0.00 N ATOM 434 CA LEU A 28 0.274 -6.117 -1.221 1.00 0.00 C ATOM 435 C LEU A 28 0.269 -4.677 -0.705 1.00 0.00 C ATOM 436 O LEU A 28 -0.782 -4.142 -0.355 1.00 0.00 O ATOM 437 CB LEU A 28 -0.347 -6.273 -2.610 1.00 0.00 C ATOM 438 CG LEU A 28 0.507 -5.788 -3.785 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.629 -6.780 -4.093 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.361 -5.503 -5.013 1.00 0.00 C ATOM 0 H LEU A 28 -1.422 -6.924 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 28 1.317 -6.415 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.580 -7.326 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.293 -5.732 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 28 0.979 -4.848 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.220 -6.412 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.269 -6.889 -3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.199 -7.748 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.270 -5.160 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.880 -6.414 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.092 -4.732 -4.771 1.00 0.00 H new ATOM 452 N ILE A 29 1.457 -4.090 -0.672 1.00 0.00 N ATOM 453 CA ILE A 29 1.603 -2.723 -0.203 1.00 0.00 C ATOM 454 C ILE A 29 1.919 -1.812 -1.392 1.00 0.00 C ATOM 455 O ILE A 29 2.552 -2.240 -2.356 1.00 0.00 O ATOM 456 CB ILE A 29 2.641 -2.650 0.919 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.400 -3.742 1.962 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.672 -1.254 1.546 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.695 -4.490 2.281 1.00 0.00 C ATOM 0 H ILE A 29 2.327 -4.537 -0.963 1.00 0.00 H new ATOM 0 HA ILE A 29 0.669 -2.368 0.233 1.00 0.00 H new ATOM 0 HB ILE A 29 3.625 -2.831 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.999 -3.298 2.873 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.652 -4.444 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.418 -1.229 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.929 -0.518 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.692 -1.020 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.496 -5.261 3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.081 -4.953 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.433 -3.790 2.673 1.00 0.00 H new ATOM 471 N LYS A 30 1.459 -0.573 -1.285 1.00 0.00 N ATOM 472 CA LYS A 30 1.684 0.401 -2.339 1.00 0.00 C ATOM 473 C LYS A 30 2.038 1.751 -1.712 1.00 0.00 C ATOM 474 O LYS A 30 1.254 2.306 -0.943 1.00 0.00 O ATOM 475 CB LYS A 30 0.481 0.457 -3.283 1.00 0.00 C ATOM 476 CG LYS A 30 0.732 1.430 -4.437 1.00 0.00 C ATOM 477 CD LYS A 30 -0.148 2.674 -4.305 1.00 0.00 C ATOM 478 CE LYS A 30 0.029 3.600 -5.511 1.00 0.00 C ATOM 479 NZ LYS A 30 -0.938 3.251 -6.577 1.00 0.00 N ATOM 0 H LYS A 30 0.932 -0.222 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 30 2.531 0.104 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.279 -0.538 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.406 0.765 -2.729 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.782 1.722 -4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.528 0.935 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.193 2.377 -4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.107 3.209 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.115 4.636 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.046 3.519 -5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.794 3.877 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.793 2.263 -6.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.907 3.368 -6.218 1.00 0.00 H new ATOM 492 N PHE A 31 3.217 2.241 -2.066 1.00 0.00 N ATOM 493 CA PHE A 31 3.684 3.515 -1.548 1.00 0.00 C ATOM 494 C PHE A 31 3.299 4.662 -2.485 1.00 0.00 C ATOM 495 O PHE A 31 3.546 4.594 -3.689 1.00 0.00 O ATOM 496 CB PHE A 31 5.210 3.433 -1.462 1.00 0.00 C ATOM 497 CG PHE A 31 5.722 2.287 -0.588 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.761 1.019 -1.081 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.139 2.534 0.683 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.236 -0.045 -0.269 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.615 1.470 1.494 1.00 0.00 C ATOM 502 CZ PHE A 31 6.653 0.204 1.001 1.00 0.00 C ATOM 0 H PHE A 31 3.863 1.778 -2.706 1.00 0.00 H new ATOM 0 HA PHE A 31 3.232 3.708 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.615 3.319 -2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.593 4.375 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.431 0.822 -2.090 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.108 3.540 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.266 -1.051 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.947 1.667 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.015 -0.605 1.618 1.00 0.00 H new ATOM 512 N TRP A 32 2.702 5.688 -1.898 1.00 0.00 N ATOM 513 CA TRP A 32 2.281 6.848 -2.666 1.00 0.00 C ATOM 514 C TRP A 32 2.647 8.102 -1.868 1.00 0.00 C ATOM 515 O TRP A 32 3.066 8.007 -0.714 1.00 0.00 O ATOM 516 CB TRP A 32 0.791 6.770 -3.005 1.00 0.00 C ATOM 517 CG TRP A 32 -0.122 6.694 -1.781 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.261 5.679 -0.917 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.025 7.720 -1.315 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.184 5.974 0.067 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.663 7.255 -0.183 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.293 8.999 -1.834 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.609 8.003 0.526 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.241 9.735 -1.114 1.00 0.00 C ATOM 525 CH2 TRP A 32 -2.892 9.282 0.027 1.00 0.00 C ATOM 0 H TRP A 32 2.500 5.741 -0.900 1.00 0.00 H new ATOM 0 HA TRP A 32 2.797 6.883 -3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.517 7.644 -3.596 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.617 5.895 -3.631 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.281 4.747 -0.982 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.463 5.364 0.836 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.806 9.383 -2.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.095 7.616 1.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.484 10.725 -1.470 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.613 9.912 0.527 1.00 0.00 H new ATOM 536 N ALA A 33 2.477 9.246 -2.513 1.00 0.00 N ATOM 537 CA ALA A 33 2.784 10.516 -1.878 1.00 0.00 C ATOM 538 C ALA A 33 1.661 11.513 -2.170 1.00 0.00 C ATOM 539 O ALA A 33 0.967 11.393 -3.180 1.00 0.00 O ATOM 540 CB ALA A 33 4.147 11.014 -2.364 1.00 0.00 C ATOM 0 H ALA A 33 2.130 9.320 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 33 2.847 10.398 -0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.377 11.967 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.914 10.284 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.122 11.146 -3.446 1.00 0.00 H new ATOM 546 N SER A 34 1.517 12.473 -1.270 1.00 0.00 N ATOM 547 CA SER A 34 0.488 13.489 -1.418 1.00 0.00 C ATOM 548 C SER A 34 0.959 14.571 -2.394 1.00 0.00 C ATOM 549 O SER A 34 0.142 15.267 -2.994 1.00 0.00 O ATOM 550 CB SER A 34 0.131 14.113 -0.068 1.00 0.00 C ATOM 551 OG SER A 34 -0.763 15.215 -0.208 1.00 0.00 O ATOM 0 H SER A 34 2.095 12.570 -0.435 1.00 0.00 H new ATOM 0 HA SER A 34 -0.408 13.013 -1.816 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.323 13.357 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.042 14.446 0.430 1.00 0.00 H new ATOM 0 HG SER A 34 -1.435 15.184 0.505 1.00 0.00 H new ATOM 557 N TRP A 35 2.273 14.676 -2.521 1.00 0.00 N ATOM 558 CA TRP A 35 2.862 15.660 -3.413 1.00 0.00 C ATOM 559 C TRP A 35 2.882 15.068 -4.824 1.00 0.00 C ATOM 560 O TRP A 35 3.286 15.735 -5.775 1.00 0.00 O ATOM 561 CB TRP A 35 4.249 16.084 -2.924 1.00 0.00 C ATOM 562 CG TRP A 35 5.177 14.914 -2.596 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.438 14.380 -1.394 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.961 14.147 -3.535 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.331 13.331 -1.490 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.658 13.184 -2.833 1.00 0.00 C ATOM 567 CE3 TRP A 35 6.076 14.264 -4.931 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.519 12.266 -3.443 1.00 0.00 C ATOM 569 CZ3 TRP A 35 6.943 13.338 -5.524 1.00 0.00 C ATOM 570 CH2 TRP A 35 7.651 12.364 -4.833 1.00 0.00 C ATOM 0 H TRP A 35 2.947 14.096 -2.021 1.00 0.00 H new ATOM 0 HA TRP A 35 2.266 16.573 -3.426 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.719 16.704 -3.688 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.136 16.705 -2.035 1.00 0.00 H new ATOM 0 HD1 TRP A 35 5.004 14.727 -0.468 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.686 12.767 -0.717 1.00 0.00 H new ATOM 0 HE3 TRP A 35 5.539 15.008 -5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 8.053 11.521 -2.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.070 13.385 -6.595 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.301 11.685 -5.365 1.00 0.00 H new ATOM 581 N CYS A 36 2.438 13.823 -4.914 1.00 0.00 N ATOM 582 CA CYS A 36 2.399 13.133 -6.193 1.00 0.00 C ATOM 583 C CYS A 36 0.962 13.173 -6.717 1.00 0.00 C ATOM 584 O CYS A 36 0.083 12.499 -6.181 1.00 0.00 O ATOM 585 CB CYS A 36 2.926 11.701 -6.080 1.00 0.00 C ATOM 586 SG CYS A 36 2.998 10.929 -7.737 1.00 0.00 S ATOM 0 H CYS A 36 2.102 13.274 -4.123 1.00 0.00 H new ATOM 0 HA CYS A 36 3.057 13.637 -6.901 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.918 11.704 -5.628 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.279 11.117 -5.425 1.00 0.00 H new ATOM 0 HG CYS A 36 2.724 9.662 -7.638 1.00 0.00 H new ATOM 592 N PRO A 37 0.760 13.991 -7.785 1.00 0.00 N ATOM 593 CA PRO A 37 -0.553 14.126 -8.387 1.00 0.00 C ATOM 594 C PRO A 37 -0.906 12.893 -9.221 1.00 0.00 C ATOM 595 O PRO A 37 -2.057 12.460 -9.240 1.00 0.00 O ATOM 596 CB PRO A 37 -0.480 15.400 -9.213 1.00 0.00 C ATOM 597 CG PRO A 37 1.001 15.678 -9.417 1.00 0.00 C ATOM 598 CD PRO A 37 1.777 14.804 -8.446 1.00 0.00 C ATOM 0 HA PRO A 37 -1.349 14.193 -7.645 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.990 15.276 -10.168 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.966 16.228 -8.698 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.293 15.459 -10.444 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.220 16.731 -9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.504 14.182 -8.968 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.331 15.407 -7.727 1.00 0.00 H new ATOM 606 N LEU A 38 0.107 12.363 -9.890 1.00 0.00 N ATOM 607 CA LEU A 38 -0.080 11.188 -10.724 1.00 0.00 C ATOM 608 C LEU A 38 -0.533 10.015 -9.852 1.00 0.00 C ATOM 609 O LEU A 38 -1.250 9.130 -10.317 1.00 0.00 O ATOM 610 CB LEU A 38 1.184 10.899 -11.534 1.00 0.00 C ATOM 611 CG LEU A 38 1.069 9.793 -12.587 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.496 8.442 -12.011 1.00 0.00 C ATOM 613 CD2 LEU A 38 -0.341 9.744 -13.179 1.00 0.00 C ATOM 0 H LEU A 38 1.060 12.726 -9.872 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.867 11.363 -11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.489 11.818 -12.034 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.982 10.632 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 38 1.753 10.026 -13.403 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.405 7.674 -12.779 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.532 8.500 -11.677 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.856 8.188 -11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.395 8.950 -13.924 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.062 9.547 -12.386 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.571 10.700 -13.650 1.00 0.00 H new ATOM 625 N CYS A 39 -0.097 10.046 -8.601 1.00 0.00 N ATOM 626 CA CYS A 39 -0.449 8.997 -7.660 1.00 0.00 C ATOM 627 C CYS A 39 -1.875 9.252 -7.168 1.00 0.00 C ATOM 628 O CYS A 39 -2.693 8.333 -7.121 1.00 0.00 O ATOM 629 CB CYS A 39 0.549 8.920 -6.501 1.00 0.00 C ATOM 630 SG CYS A 39 1.955 7.841 -6.958 1.00 0.00 S ATOM 0 H CYS A 39 0.497 10.781 -8.218 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.405 8.028 -8.157 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.911 9.918 -6.255 1.00 0.00 H new ATOM 0 HB3 CYS A 39 0.056 8.531 -5.610 1.00 0.00 H new ATOM 0 HG CYS A 39 2.797 7.784 -5.969 1.00 0.00 H new ATOM 636 N LEU A 40 -2.131 10.502 -6.813 1.00 0.00 N ATOM 637 CA LEU A 40 -3.445 10.889 -6.328 1.00 0.00 C ATOM 638 C LEU A 40 -4.510 10.415 -7.318 1.00 0.00 C ATOM 639 O LEU A 40 -5.525 9.847 -6.920 1.00 0.00 O ATOM 640 CB LEU A 40 -3.491 12.392 -6.046 1.00 0.00 C ATOM 641 CG LEU A 40 -2.780 12.857 -4.774 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.466 14.354 -4.838 1.00 0.00 C ATOM 643 CD2 LEU A 40 -3.591 12.496 -3.529 1.00 0.00 C ATOM 0 H LEU A 40 -1.450 11.261 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.658 10.403 -5.376 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.052 12.915 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.535 12.699 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.829 12.330 -4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.961 14.659 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.820 14.554 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.394 14.916 -4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.063 12.838 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.568 12.977 -3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.721 11.415 -3.481 1.00 0.00 H new ATOM 655 N SER A 41 -4.241 10.667 -8.592 1.00 0.00 N ATOM 656 CA SER A 41 -5.165 10.273 -9.642 1.00 0.00 C ATOM 657 C SER A 41 -5.298 8.750 -9.679 1.00 0.00 C ATOM 658 O SER A 41 -6.314 8.222 -10.128 1.00 0.00 O ATOM 659 CB SER A 41 -4.705 10.798 -11.003 1.00 0.00 C ATOM 660 OG SER A 41 -3.672 9.994 -11.565 1.00 0.00 O ATOM 0 H SER A 41 -3.398 11.138 -8.920 1.00 0.00 H new ATOM 0 HA SER A 41 -6.139 10.710 -9.423 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.554 10.827 -11.686 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.348 11.822 -10.895 1.00 0.00 H new ATOM 0 HG SER A 41 -2.971 9.848 -10.896 1.00 0.00 H new ATOM 666 N GLU A 42 -4.257 8.085 -9.198 1.00 0.00 N ATOM 667 CA GLU A 42 -4.245 6.632 -9.171 1.00 0.00 C ATOM 668 C GLU A 42 -4.857 6.122 -7.866 1.00 0.00 C ATOM 669 O GLU A 42 -5.396 5.017 -7.819 1.00 0.00 O ATOM 670 CB GLU A 42 -2.825 6.093 -9.359 1.00 0.00 C ATOM 671 CG GLU A 42 -2.563 5.738 -10.824 1.00 0.00 C ATOM 672 CD GLU A 42 -1.883 4.374 -10.946 1.00 0.00 C ATOM 673 OE1 GLU A 42 -0.747 4.204 -10.480 1.00 0.00 O ATOM 674 OE2 GLU A 42 -2.579 3.469 -11.548 1.00 0.00 O ATOM 0 H GLU A 42 -3.416 8.526 -8.824 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.850 6.266 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.102 6.838 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.682 5.210 -8.736 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.504 5.729 -11.373 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.935 6.503 -11.280 1.00 0.00 H new ATOM 682 N LEU A 43 -4.752 6.949 -6.836 1.00 0.00 N ATOM 683 CA LEU A 43 -5.289 6.595 -5.534 1.00 0.00 C ATOM 684 C LEU A 43 -6.740 6.139 -5.691 1.00 0.00 C ATOM 685 O LEU A 43 -7.146 5.132 -5.112 1.00 0.00 O ATOM 686 CB LEU A 43 -5.112 7.752 -4.548 1.00 0.00 C ATOM 687 CG LEU A 43 -3.853 7.708 -3.680 1.00 0.00 C ATOM 688 CD1 LEU A 43 -4.175 7.213 -2.269 1.00 0.00 C ATOM 689 CD2 LEU A 43 -2.758 6.870 -4.345 1.00 0.00 C ATOM 0 H LEU A 43 -4.303 7.864 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.735 5.757 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.109 8.685 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.981 7.779 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.469 8.724 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.262 7.192 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.896 7.885 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.597 6.209 -2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.874 6.855 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.118 5.851 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.502 7.306 -5.310 1.00 0.00 H new ATOM 701 N GLY A 44 -7.485 6.903 -6.479 1.00 0.00 N ATOM 702 CA GLY A 44 -8.883 6.590 -6.721 1.00 0.00 C ATOM 703 C GLY A 44 -9.032 5.211 -7.371 1.00 0.00 C ATOM 704 O GLY A 44 -9.813 4.382 -6.905 1.00 0.00 O ATOM 0 H GLY A 44 -7.146 7.738 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.433 6.614 -5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.323 7.350 -7.367 1.00 0.00 H new ATOM 708 N GLN A 45 -8.271 5.010 -8.437 1.00 0.00 N ATOM 709 CA GLN A 45 -8.308 3.748 -9.156 1.00 0.00 C ATOM 710 C GLN A 45 -7.884 2.601 -8.237 1.00 0.00 C ATOM 711 O GLN A 45 -8.342 1.472 -8.397 1.00 0.00 O ATOM 712 CB GLN A 45 -7.427 3.803 -10.406 1.00 0.00 C ATOM 713 CG GLN A 45 -7.668 2.585 -11.299 1.00 0.00 C ATOM 714 CD GLN A 45 -9.092 2.586 -11.858 1.00 0.00 C ATOM 715 OE1 GLN A 45 -10.042 2.177 -11.209 1.00 0.00 O ATOM 716 NE2 GLN A 45 -9.187 3.066 -13.094 1.00 0.00 N ATOM 0 H GLN A 45 -7.625 5.700 -8.820 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.333 3.568 -9.481 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.638 4.715 -10.964 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.377 3.843 -10.114 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.951 2.585 -12.120 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.499 1.672 -10.728 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.352 3.392 -13.580 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.095 3.109 -13.556 1.00 0.00 H new ATOM 725 N THR A 46 -7.014 2.931 -7.294 1.00 0.00 N ATOM 726 CA THR A 46 -6.524 1.943 -6.348 1.00 0.00 C ATOM 727 C THR A 46 -7.659 1.454 -5.449 1.00 0.00 C ATOM 728 O THR A 46 -7.687 0.290 -5.054 1.00 0.00 O ATOM 729 CB THR A 46 -5.360 2.566 -5.574 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.325 2.693 -6.545 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.776 1.615 -4.528 1.00 0.00 C ATOM 0 H THR A 46 -6.636 3.869 -7.165 1.00 0.00 H new ATOM 0 HA THR A 46 -6.154 1.055 -6.861 1.00 0.00 H new ATOM 0 HB THR A 46 -5.698 3.479 -5.085 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.507 3.468 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.954 2.107 -4.008 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.550 1.345 -3.809 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.408 0.715 -5.020 1.00 0.00 H new ATOM 739 N GLU A 47 -8.571 2.370 -5.151 1.00 0.00 N ATOM 740 CA GLU A 47 -9.708 2.047 -4.305 1.00 0.00 C ATOM 741 C GLU A 47 -10.685 1.137 -5.055 1.00 0.00 C ATOM 742 O GLU A 47 -11.357 0.307 -4.444 1.00 0.00 O ATOM 743 CB GLU A 47 -10.405 3.317 -3.816 1.00 0.00 C ATOM 744 CG GLU A 47 -11.342 3.011 -2.646 1.00 0.00 C ATOM 745 CD GLU A 47 -11.934 4.299 -2.067 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.919 5.343 -2.735 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.423 4.187 -0.878 1.00 0.00 O ATOM 0 H GLU A 47 -8.545 3.335 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.344 1.512 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.659 4.050 -3.508 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.971 3.763 -4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.146 2.355 -2.981 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.797 2.476 -1.869 1.00 0.00 H new ATOM 755 N LYS A 48 -10.732 1.325 -6.364 1.00 0.00 N ATOM 756 CA LYS A 48 -11.617 0.533 -7.202 1.00 0.00 C ATOM 757 C LYS A 48 -10.995 -0.848 -7.428 1.00 0.00 C ATOM 758 O LYS A 48 -11.712 -1.839 -7.564 1.00 0.00 O ATOM 759 CB LYS A 48 -11.940 1.280 -8.497 1.00 0.00 C ATOM 760 CG LYS A 48 -12.731 0.392 -9.460 1.00 0.00 C ATOM 761 CD LYS A 48 -13.928 1.146 -10.045 1.00 0.00 C ATOM 762 CE LYS A 48 -15.151 0.235 -10.150 1.00 0.00 C ATOM 763 NZ LYS A 48 -15.350 -0.206 -11.549 1.00 0.00 N ATOM 0 H LYS A 48 -10.172 2.014 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.574 0.376 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.515 2.178 -8.269 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.015 1.606 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.080 0.054 -10.266 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.078 -0.499 -8.937 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.163 2.005 -9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.672 1.532 -11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.022 -0.633 -9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.037 0.764 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.185 -0.824 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.494 0.625 -12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.511 -0.729 -11.871 1.00 0.00 H new ATOM 776 N TRP A 49 -9.672 -0.868 -7.460 1.00 0.00 N ATOM 777 CA TRP A 49 -8.946 -2.110 -7.667 1.00 0.00 C ATOM 778 C TRP A 49 -9.050 -2.937 -6.384 1.00 0.00 C ATOM 779 O TRP A 49 -8.995 -4.165 -6.426 1.00 0.00 O ATOM 780 CB TRP A 49 -7.500 -1.838 -8.089 1.00 0.00 C ATOM 781 CG TRP A 49 -7.359 -1.296 -9.513 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.335 -0.983 -10.377 1.00 0.00 C ATOM 783 CD2 TRP A 49 -6.126 -1.016 -10.208 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.822 -0.521 -11.573 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.436 -0.543 -11.465 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.792 -1.157 -9.786 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.467 -0.173 -12.407 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.836 -0.785 -10.738 1.00 0.00 C ATOM 789 CH2 TRP A 49 -4.132 -0.307 -12.009 1.00 0.00 C ATOM 0 H TRP A 49 -9.082 -0.044 -7.346 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.384 -2.681 -8.486 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.058 -1.124 -7.394 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.928 -2.762 -8.004 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.389 -1.080 -10.165 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.360 -0.219 -12.385 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.526 -1.523 -8.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.735 0.195 -13.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.795 -0.876 -10.466 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.335 -0.040 -12.687 1.00 0.00 H new ATOM 800 N ALA A 50 -9.196 -2.230 -5.272 1.00 0.00 N ATOM 801 CA ALA A 50 -9.308 -2.882 -3.980 1.00 0.00 C ATOM 802 C ALA A 50 -10.677 -3.557 -3.868 1.00 0.00 C ATOM 803 O ALA A 50 -10.930 -4.307 -2.928 1.00 0.00 O ATOM 804 CB ALA A 50 -9.070 -1.859 -2.869 1.00 0.00 C ATOM 0 H ALA A 50 -9.239 -1.211 -5.241 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.550 -3.658 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.154 -2.349 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.072 -1.433 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.813 -1.065 -2.940 1.00 0.00 H new ATOM 810 N GLN A 51 -11.525 -3.264 -4.844 1.00 0.00 N ATOM 811 CA GLN A 51 -12.863 -3.833 -4.868 1.00 0.00 C ATOM 812 C GLN A 51 -12.940 -4.965 -5.895 1.00 0.00 C ATOM 813 O GLN A 51 -13.887 -5.749 -5.889 1.00 0.00 O ATOM 814 CB GLN A 51 -13.911 -2.756 -5.160 1.00 0.00 C ATOM 815 CG GLN A 51 -14.088 -1.824 -3.959 1.00 0.00 C ATOM 816 CD GLN A 51 -15.554 -1.424 -3.788 1.00 0.00 C ATOM 817 OE1 GLN A 51 -16.101 -0.636 -4.540 1.00 0.00 O ATOM 818 NE2 GLN A 51 -16.158 -2.010 -2.758 1.00 0.00 N ATOM 0 H GLN A 51 -11.312 -2.641 -5.623 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.079 -4.247 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -13.609 -2.177 -6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -14.864 -3.227 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.734 -2.319 -3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.477 -0.931 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.641 -2.661 -2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.138 -1.808 -2.559 1.00 0.00 H new ATOM 827 N ASP A 52 -11.931 -5.013 -6.752 1.00 0.00 N ATOM 828 CA ASP A 52 -11.872 -6.037 -7.782 1.00 0.00 C ATOM 829 C ASP A 52 -11.770 -7.413 -7.121 1.00 0.00 C ATOM 830 O ASP A 52 -10.978 -7.607 -6.201 1.00 0.00 O ATOM 831 CB ASP A 52 -10.645 -5.848 -8.676 1.00 0.00 C ATOM 832 CG ASP A 52 -10.207 -7.098 -9.443 1.00 0.00 C ATOM 833 OD1 ASP A 52 -9.065 -7.563 -9.307 1.00 0.00 O ATOM 834 OD2 ASP A 52 -11.105 -7.605 -10.218 1.00 0.00 O ATOM 0 H ASP A 52 -11.148 -4.360 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.775 -5.959 -8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.855 -5.055 -9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.813 -5.508 -8.059 1.00 0.00 H new ATOM 840 N ALA A 53 -12.582 -8.334 -7.618 1.00 0.00 N ATOM 841 CA ALA A 53 -12.594 -9.687 -7.089 1.00 0.00 C ATOM 842 C ALA A 53 -11.209 -10.312 -7.269 1.00 0.00 C ATOM 843 O ALA A 53 -10.664 -10.901 -6.337 1.00 0.00 O ATOM 844 CB ALA A 53 -13.693 -10.497 -7.779 1.00 0.00 C ATOM 0 H ALA A 53 -13.237 -8.170 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.817 -9.679 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.701 -11.512 -7.381 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.660 -10.028 -7.596 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.502 -10.529 -8.852 1.00 0.00 H new ATOM 850 N LYS A 54 -10.679 -10.164 -8.474 1.00 0.00 N ATOM 851 CA LYS A 54 -9.369 -10.705 -8.789 1.00 0.00 C ATOM 852 C LYS A 54 -8.367 -10.258 -7.722 1.00 0.00 C ATOM 853 O LYS A 54 -7.504 -11.032 -7.313 1.00 0.00 O ATOM 854 CB LYS A 54 -8.961 -10.327 -10.213 1.00 0.00 C ATOM 855 CG LYS A 54 -8.658 -11.575 -11.047 1.00 0.00 C ATOM 856 CD LYS A 54 -7.211 -12.030 -10.845 1.00 0.00 C ATOM 857 CE LYS A 54 -7.093 -13.550 -10.962 1.00 0.00 C ATOM 858 NZ LYS A 54 -5.697 -13.942 -11.263 1.00 0.00 N ATOM 0 H LYS A 54 -11.135 -9.676 -9.245 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.392 -11.795 -8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.760 -9.756 -10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.083 -9.682 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.339 -12.379 -10.766 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.833 -11.363 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.569 -11.554 -11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.858 -11.709 -9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.416 -14.018 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.756 -13.912 -11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.636 -14.977 -11.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.402 -13.511 -12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.072 -13.613 -10.500 1.00 0.00 H new ATOM 871 N PHE A 55 -8.517 -9.009 -7.302 1.00 0.00 N ATOM 872 CA PHE A 55 -7.636 -8.450 -6.292 1.00 0.00 C ATOM 873 C PHE A 55 -8.003 -8.966 -4.899 1.00 0.00 C ATOM 874 O PHE A 55 -7.137 -9.097 -4.034 1.00 0.00 O ATOM 875 CB PHE A 55 -7.823 -6.932 -6.327 1.00 0.00 C ATOM 876 CG PHE A 55 -6.660 -6.177 -6.974 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.412 -6.264 -6.442 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.876 -5.418 -8.083 1.00 0.00 C ATOM 879 CE1 PHE A 55 -4.334 -5.563 -7.043 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.796 -4.717 -8.683 1.00 0.00 C ATOM 881 CZ PHE A 55 -4.548 -4.804 -8.151 1.00 0.00 C ATOM 0 H PHE A 55 -9.235 -8.370 -7.643 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.605 -8.738 -6.496 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.739 -6.701 -6.870 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.956 -6.569 -5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.241 -6.866 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.867 -5.349 -8.506 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.343 -5.632 -6.620 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.967 -4.114 -9.563 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.727 -4.271 -8.608 1.00 0.00 H new ATOM 891 N SER A 56 -9.287 -9.242 -4.724 1.00 0.00 N ATOM 892 CA SER A 56 -9.778 -9.740 -3.451 1.00 0.00 C ATOM 893 C SER A 56 -8.881 -10.873 -2.949 1.00 0.00 C ATOM 894 O SER A 56 -8.601 -10.966 -1.756 1.00 0.00 O ATOM 895 CB SER A 56 -11.225 -10.223 -3.570 1.00 0.00 C ATOM 896 OG SER A 56 -11.302 -11.610 -3.885 1.00 0.00 O ATOM 0 H SER A 56 -10.002 -9.130 -5.443 1.00 0.00 H new ATOM 0 HA SER A 56 -9.754 -8.921 -2.732 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.748 -10.035 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.737 -9.647 -4.341 1.00 0.00 H new ATOM 0 HG SER A 56 -11.243 -11.729 -4.856 1.00 0.00 H new ATOM 902 N SER A 57 -8.454 -11.707 -3.888 1.00 0.00 N ATOM 903 CA SER A 57 -7.594 -12.829 -3.556 1.00 0.00 C ATOM 904 C SER A 57 -6.549 -12.401 -2.525 1.00 0.00 C ATOM 905 O SER A 57 -6.449 -12.998 -1.453 1.00 0.00 O ATOM 906 CB SER A 57 -6.909 -13.387 -4.806 1.00 0.00 C ATOM 907 OG SER A 57 -7.602 -14.513 -5.337 1.00 0.00 O ATOM 0 H SER A 57 -8.688 -11.627 -4.878 1.00 0.00 H new ATOM 0 HA SER A 57 -8.213 -13.619 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.849 -12.607 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.886 -13.673 -4.562 1.00 0.00 H new ATOM 0 HG SER A 57 -7.135 -14.839 -6.134 1.00 0.00 H new ATOM 913 N ALA A 58 -5.798 -11.372 -2.883 1.00 0.00 N ATOM 914 CA ALA A 58 -4.763 -10.857 -2.002 1.00 0.00 C ATOM 915 C ALA A 58 -5.241 -9.545 -1.374 1.00 0.00 C ATOM 916 O ALA A 58 -6.217 -8.954 -1.832 1.00 0.00 O ATOM 917 CB ALA A 58 -3.460 -10.687 -2.787 1.00 0.00 C ATOM 0 H ALA A 58 -5.885 -10.880 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.565 -11.559 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.684 -10.301 -2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.148 -11.652 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.618 -9.987 -3.608 1.00 0.00 H new ATOM 923 N ASN A 59 -4.529 -9.130 -0.336 1.00 0.00 N ATOM 924 CA ASN A 59 -4.869 -7.901 0.360 1.00 0.00 C ATOM 925 C ASN A 59 -4.138 -6.729 -0.300 1.00 0.00 C ATOM 926 O ASN A 59 -2.910 -6.729 -0.387 1.00 0.00 O ATOM 927 CB ASN A 59 -4.439 -7.961 1.828 1.00 0.00 C ATOM 928 CG ASN A 59 -4.699 -9.348 2.417 1.00 0.00 C ATOM 929 OD1 ASN A 59 -5.448 -10.149 1.882 1.00 0.00 O ATOM 930 ND2 ASN A 59 -4.040 -9.588 3.548 1.00 0.00 N ATOM 0 H ASN A 59 -3.719 -9.623 0.039 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.950 -7.771 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.379 -7.719 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.983 -7.210 2.401 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.147 -10.486 4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.428 -8.874 3.943 1.00 0.00 H new ATOM 937 N LEU A 60 -4.922 -5.760 -0.745 1.00 0.00 N ATOM 938 CA LEU A 60 -4.365 -4.585 -1.395 1.00 0.00 C ATOM 939 C LEU A 60 -4.496 -3.381 -0.458 1.00 0.00 C ATOM 940 O LEU A 60 -5.589 -3.074 0.016 1.00 0.00 O ATOM 941 CB LEU A 60 -5.012 -4.371 -2.764 1.00 0.00 C ATOM 942 CG LEU A 60 -4.632 -3.080 -3.492 1.00 0.00 C ATOM 943 CD1 LEU A 60 -5.162 -3.082 -4.926 1.00 0.00 C ATOM 944 CD2 LEU A 60 -5.102 -1.851 -2.708 1.00 0.00 C ATOM 0 H LEU A 60 -5.939 -5.763 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.302 -4.726 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.751 -5.215 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.095 -4.389 -2.639 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.545 -3.029 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.878 -2.153 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.738 -3.927 -5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.249 -3.168 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.820 -0.946 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.186 -1.883 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.635 -1.847 -1.723 1.00 0.00 H new ATOM 956 N ILE A 61 -3.364 -2.732 -0.220 1.00 0.00 N ATOM 957 CA ILE A 61 -3.339 -1.569 0.651 1.00 0.00 C ATOM 958 C ILE A 61 -2.186 -0.653 0.238 1.00 0.00 C ATOM 959 O ILE A 61 -1.268 -1.081 -0.462 1.00 0.00 O ATOM 960 CB ILE A 61 -3.287 -1.999 2.119 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.895 -2.515 2.490 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.379 -3.025 2.428 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.356 -1.795 3.728 1.00 0.00 C ATOM 0 H ILE A 61 -2.459 -2.990 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.259 -0.994 0.544 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.482 -1.124 2.739 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.939 -3.588 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.213 -2.367 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.320 -3.314 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.357 -2.588 2.226 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.239 -3.905 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.366 -2.180 3.971 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.290 -0.726 3.527 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.028 -1.966 4.569 1.00 0.00 H new ATOM 975 N THR A 62 -2.268 0.590 0.688 1.00 0.00 N ATOM 976 CA THR A 62 -1.242 1.570 0.373 1.00 0.00 C ATOM 977 C THR A 62 -0.541 2.038 1.650 1.00 0.00 C ATOM 978 O THR A 62 -1.145 2.057 2.722 1.00 0.00 O ATOM 979 CB THR A 62 -1.899 2.707 -0.411 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.742 3.346 0.544 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.868 2.197 -1.481 1.00 0.00 C ATOM 0 H THR A 62 -3.029 0.942 1.269 1.00 0.00 H new ATOM 0 HA THR A 62 -0.459 1.137 -0.250 1.00 0.00 H new ATOM 0 HB THR A 62 -1.127 3.317 -0.881 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.669 3.058 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.307 3.044 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.329 1.568 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.659 1.615 -1.008 1.00 0.00 H new ATOM 989 N VAL A 63 0.722 2.403 1.493 1.00 0.00 N ATOM 990 CA VAL A 63 1.511 2.870 2.621 1.00 0.00 C ATOM 991 C VAL A 63 1.985 4.299 2.350 1.00 0.00 C ATOM 992 O VAL A 63 2.336 4.637 1.221 1.00 0.00 O ATOM 993 CB VAL A 63 2.663 1.899 2.892 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.876 2.634 3.462 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.219 0.769 3.823 1.00 0.00 C ATOM 0 H VAL A 63 1.219 2.385 0.603 1.00 0.00 H new ATOM 0 HA VAL A 63 0.905 2.895 3.527 1.00 0.00 H new ATOM 0 HB VAL A 63 2.957 1.454 1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.680 1.921 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.214 3.386 2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.600 3.119 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.056 0.093 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.885 1.189 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.399 0.219 3.362 1.00 0.00 H new ATOM 1005 N ALA A 64 1.982 5.100 3.406 1.00 0.00 N ATOM 1006 CA ALA A 64 2.407 6.485 3.295 1.00 0.00 C ATOM 1007 C ALA A 64 3.339 6.821 4.460 1.00 0.00 C ATOM 1008 O ALA A 64 3.035 6.515 5.613 1.00 0.00 O ATOM 1009 CB ALA A 64 1.178 7.395 3.251 1.00 0.00 C ATOM 0 H ALA A 64 1.692 4.816 4.342 1.00 0.00 H new ATOM 0 HA ALA A 64 2.962 6.643 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.497 8.434 3.168 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.563 7.134 2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.597 7.266 4.164 1.00 0.00 H new ATOM 1015 N SER A 65 4.456 7.449 4.121 1.00 0.00 N ATOM 1016 CA SER A 65 5.435 7.831 5.124 1.00 0.00 C ATOM 1017 C SER A 65 5.428 9.349 5.312 1.00 0.00 C ATOM 1018 O SER A 65 5.890 10.087 4.443 1.00 0.00 O ATOM 1019 CB SER A 65 6.835 7.350 4.739 1.00 0.00 C ATOM 1020 OG SER A 65 6.869 5.947 4.491 1.00 0.00 O ATOM 0 H SER A 65 4.704 7.703 3.165 1.00 0.00 H new ATOM 0 HA SER A 65 5.163 7.354 6.066 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.169 7.883 3.849 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.535 7.594 5.539 1.00 0.00 H new ATOM 0 HG SER A 65 7.659 5.729 3.953 1.00 0.00 H new ATOM 1026 N PRO A 66 4.883 9.782 6.481 1.00 0.00 N ATOM 1027 CA PRO A 66 4.811 11.200 6.792 1.00 0.00 C ATOM 1028 C PRO A 66 6.184 11.745 7.189 1.00 0.00 C ATOM 1029 O PRO A 66 6.915 11.108 7.945 1.00 0.00 O ATOM 1030 CB PRO A 66 3.786 11.303 7.909 1.00 0.00 C ATOM 1031 CG PRO A 66 3.666 9.907 8.497 1.00 0.00 C ATOM 1032 CD PRO A 66 4.327 8.937 7.533 1.00 0.00 C ATOM 0 HA PRO A 66 4.512 11.805 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.105 12.019 8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.826 11.649 7.527 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.147 9.862 9.474 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.619 9.644 8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.106 8.356 8.027 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.606 8.226 7.130 1.00 0.00 H new ATOM 1040 N GLY A 67 6.492 12.920 6.661 1.00 0.00 N ATOM 1041 CA GLY A 67 7.764 13.559 6.950 1.00 0.00 C ATOM 1042 C GLY A 67 8.902 12.895 6.172 1.00 0.00 C ATOM 1043 O GLY A 67 10.065 13.265 6.327 1.00 0.00 O ATOM 0 H GLY A 67 5.883 13.446 6.035 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.711 14.616 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.969 13.503 8.019 1.00 0.00 H new ATOM 1047 N PHE A 68 8.527 11.925 5.351 1.00 0.00 N ATOM 1048 CA PHE A 68 9.500 11.206 4.547 1.00 0.00 C ATOM 1049 C PHE A 68 9.231 11.403 3.054 1.00 0.00 C ATOM 1050 O PHE A 68 8.105 11.223 2.593 1.00 0.00 O ATOM 1051 CB PHE A 68 9.353 9.722 4.888 1.00 0.00 C ATOM 1052 CG PHE A 68 10.480 8.843 4.343 1.00 0.00 C ATOM 1053 CD1 PHE A 68 11.706 8.866 4.931 1.00 0.00 C ATOM 1054 CD2 PHE A 68 10.256 8.037 3.270 1.00 0.00 C ATOM 1055 CE1 PHE A 68 12.751 8.050 4.424 1.00 0.00 C ATOM 1056 CE2 PHE A 68 11.302 7.222 2.763 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.528 7.245 3.352 1.00 0.00 C ATOM 0 H PHE A 68 7.562 11.620 5.225 1.00 0.00 H new ATOM 0 HA PHE A 68 10.503 11.575 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.312 9.611 5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.403 9.362 4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.884 9.505 5.783 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.282 8.017 2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.725 8.069 4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.124 6.584 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.324 6.624 2.968 1.00 0.00 H new ATOM 1067 N LEU A 69 10.285 11.768 2.339 1.00 0.00 N ATOM 1068 CA LEU A 69 10.178 11.990 0.906 1.00 0.00 C ATOM 1069 C LEU A 69 9.401 13.284 0.654 1.00 0.00 C ATOM 1070 O LEU A 69 8.650 13.382 -0.315 1.00 0.00 O ATOM 1071 CB LEU A 69 9.573 10.765 0.218 1.00 0.00 C ATOM 1072 CG LEU A 69 10.532 9.934 -0.637 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.156 10.785 -1.744 1.00 0.00 C ATOM 1074 CD2 LEU A 69 11.592 9.256 0.232 1.00 0.00 C ATOM 0 H LEU A 69 11.218 11.916 2.725 1.00 0.00 H new ATOM 0 HA LEU A 69 11.166 12.118 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.146 10.117 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.750 11.098 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 69 9.960 9.143 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.833 10.171 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.369 11.181 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.711 11.611 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.261 8.672 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.166 10.015 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.106 8.598 0.952 1.00 0.00 H new ATOM 1086 N HIS A 70 9.609 14.245 1.541 1.00 0.00 N ATOM 1087 CA HIS A 70 8.938 15.529 1.427 1.00 0.00 C ATOM 1088 C HIS A 70 7.453 15.363 1.753 1.00 0.00 C ATOM 1089 O HIS A 70 6.672 16.302 1.603 1.00 0.00 O ATOM 1090 CB HIS A 70 9.175 16.143 0.046 1.00 0.00 C ATOM 1091 CG HIS A 70 9.186 17.654 0.040 1.00 0.00 C ATOM 1092 ND1 HIS A 70 10.197 18.399 0.621 1.00 0.00 N ATOM 1093 CD2 HIS A 70 8.299 18.549 -0.482 1.00 0.00 C ATOM 1094 CE1 HIS A 70 9.921 19.684 0.450 1.00 0.00 C ATOM 1095 NE2 HIS A 70 8.744 19.775 -0.232 1.00 0.00 N ATOM 0 H HIS A 70 10.234 14.160 2.343 1.00 0.00 H new ATOM 0 HA HIS A 70 9.357 16.228 2.150 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.127 15.781 -0.343 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.399 15.793 -0.634 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.389 18.302 -1.009 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.523 20.513 0.791 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.281 20.642 -0.505 1.00 0.00 H new ATOM 1104 N GLU A 71 7.108 14.162 2.195 1.00 0.00 N ATOM 1105 CA GLU A 71 5.730 13.861 2.544 1.00 0.00 C ATOM 1106 C GLU A 71 5.267 14.757 3.695 1.00 0.00 C ATOM 1107 O GLU A 71 6.075 15.186 4.517 1.00 0.00 O ATOM 1108 CB GLU A 71 5.565 12.382 2.900 1.00 0.00 C ATOM 1109 CG GLU A 71 4.119 12.070 3.293 1.00 0.00 C ATOM 1110 CD GLU A 71 3.186 12.183 2.087 1.00 0.00 C ATOM 1111 OE1 GLU A 71 2.914 13.297 1.615 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.738 11.060 1.636 1.00 0.00 O ATOM 0 H GLU A 71 7.759 13.387 2.319 1.00 0.00 H new ATOM 0 HA GLU A 71 5.103 14.064 1.676 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.856 11.765 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.233 12.126 3.723 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.061 11.064 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.794 12.758 4.074 1.00 0.00 H new ATOM 1120 N LYS A 72 3.966 15.012 3.717 1.00 0.00 N ATOM 1121 CA LYS A 72 3.386 15.849 4.754 1.00 0.00 C ATOM 1122 C LYS A 72 3.586 15.179 6.115 1.00 0.00 C ATOM 1123 O LYS A 72 3.466 13.962 6.236 1.00 0.00 O ATOM 1124 CB LYS A 72 1.923 16.163 4.432 1.00 0.00 C ATOM 1125 CG LYS A 72 1.698 17.672 4.319 1.00 0.00 C ATOM 1126 CD LYS A 72 1.840 18.140 2.869 1.00 0.00 C ATOM 1127 CE LYS A 72 0.578 18.869 2.401 1.00 0.00 C ATOM 1128 NZ LYS A 72 0.889 19.765 1.265 1.00 0.00 N ATOM 0 H LYS A 72 3.298 14.654 3.034 1.00 0.00 H new ATOM 0 HA LYS A 72 3.894 16.813 4.795 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.641 15.679 3.497 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.280 15.753 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.705 17.924 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.417 18.199 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.701 18.802 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.029 17.282 2.223 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.179 18.144 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.159 19.448 3.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.022 20.252 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.595 20.469 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.268 19.205 0.475 1.00 0.00 H new ATOM 1141 N LYS A 73 3.890 16.005 7.105 1.00 0.00 N ATOM 1142 CA LYS A 73 4.108 15.509 8.453 1.00 0.00 C ATOM 1143 C LYS A 73 2.821 14.864 8.969 1.00 0.00 C ATOM 1144 O LYS A 73 1.740 15.114 8.437 1.00 0.00 O ATOM 1145 CB LYS A 73 4.642 16.624 9.354 1.00 0.00 C ATOM 1146 CG LYS A 73 3.528 17.602 9.736 1.00 0.00 C ATOM 1147 CD LYS A 73 3.994 19.050 9.584 1.00 0.00 C ATOM 1148 CE LYS A 73 3.811 19.825 10.892 1.00 0.00 C ATOM 1149 NZ LYS A 73 4.060 21.268 10.678 1.00 0.00 N ATOM 0 H LYS A 73 3.991 17.015 7.001 1.00 0.00 H new ATOM 0 HA LYS A 73 4.875 14.735 8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.076 16.191 10.256 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.441 17.160 8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.656 17.429 9.106 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.218 17.422 10.766 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.043 19.069 9.289 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.430 19.536 8.787 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.800 19.677 11.271 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.495 19.440 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.932 21.779 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.033 21.406 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.391 21.635 9.972 1.00 0.00 H new ATOM 1162 N ASP A 74 2.979 14.048 10.000 1.00 0.00 N ATOM 1163 CA ASP A 74 1.842 13.364 10.595 1.00 0.00 C ATOM 1164 C ASP A 74 0.750 14.387 10.919 1.00 0.00 C ATOM 1165 O ASP A 74 1.049 15.529 11.269 1.00 0.00 O ATOM 1166 CB ASP A 74 2.238 12.666 11.897 1.00 0.00 C ATOM 1167 CG ASP A 74 1.086 12.414 12.872 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.785 13.251 13.735 1.00 0.00 O ATOM 1169 OD2 ASP A 74 0.478 11.287 12.717 1.00 0.00 O ATOM 0 H ASP A 74 3.877 13.844 10.439 1.00 0.00 H new ATOM 0 HA ASP A 74 1.485 12.620 9.882 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.703 11.711 11.653 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.994 13.269 12.400 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.490 13.941 10.793 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.627 14.802 11.068 1.00 0.00 C ATOM 1177 C GLY A 75 -2.010 15.619 9.832 1.00 0.00 C ATOM 1178 O GLY A 75 -3.191 15.761 9.519 1.00 0.00 O ATOM 0 H GLY A 75 -0.733 12.993 10.504 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.477 14.198 11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.388 15.474 11.892 1.00 0.00 H new ATOM 1182 N ASP A 76 -0.989 16.133 9.162 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.203 16.930 7.966 1.00 0.00 C ATOM 1184 C ASP A 76 -1.561 16.007 6.800 1.00 0.00 C ATOM 1185 O ASP A 76 -2.301 16.400 5.898 1.00 0.00 O ATOM 1186 CB ASP A 76 0.061 17.703 7.586 1.00 0.00 C ATOM 1187 CG ASP A 76 -0.164 19.167 7.208 1.00 0.00 C ATOM 1188 OD1 ASP A 76 0.170 19.599 6.095 1.00 0.00 O ATOM 1189 OD2 ASP A 76 -0.717 19.888 8.124 1.00 0.00 O ATOM 0 H ASP A 76 -0.011 16.013 9.425 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.009 17.635 8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.758 17.663 8.423 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.540 17.197 6.748 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.024 14.798 6.858 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.279 13.816 5.817 1.00 0.00 C ATOM 1197 C PHE A 77 -2.663 13.187 5.984 1.00 0.00 C ATOM 1198 O PHE A 77 -3.484 13.232 5.070 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.214 12.725 5.962 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.379 11.563 4.981 1.00 0.00 C ATOM 1201 CD1 PHE A 77 0.183 11.631 3.744 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -1.088 10.460 5.346 1.00 0.00 C ATOM 1203 CE1 PHE A 77 0.031 10.551 2.835 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -1.240 9.381 4.437 1.00 0.00 C ATOM 1205 CZ PHE A 77 -0.678 9.449 3.200 1.00 0.00 C ATOM 0 H PHE A 77 -0.414 14.475 7.609 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.243 14.293 4.838 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.770 13.171 5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.243 12.335 6.980 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.745 12.506 3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.535 10.406 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.478 10.604 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.802 8.506 4.727 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.795 8.628 2.508 1.00 0.00 H new ATOM 1215 N GLN A 78 -2.879 12.613 7.158 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.149 11.975 7.457 1.00 0.00 C ATOM 1217 C GLN A 78 -5.304 12.945 7.198 1.00 0.00 C ATOM 1218 O GLN A 78 -6.408 12.525 6.853 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.179 11.461 8.899 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.898 12.591 9.890 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.548 12.032 11.272 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.394 11.836 11.616 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.605 11.790 12.041 1.00 0.00 N ATOM 0 H GLN A 78 -2.195 12.577 7.914 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.266 11.116 6.797 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -5.153 11.020 9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.438 10.671 9.023 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.076 13.206 9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.771 13.239 9.966 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.544 11.977 11.690 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.477 11.417 12.982 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.011 14.225 7.374 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.011 15.257 7.163 1.00 0.00 C ATOM 1234 C LYS A 79 -6.413 15.279 5.687 1.00 0.00 C ATOM 1235 O LYS A 79 -7.564 15.559 5.357 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.507 16.606 7.683 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.190 16.975 9.001 1.00 0.00 C ATOM 1238 CD LYS A 79 -7.476 17.764 8.749 1.00 0.00 C ATOM 1239 CE LYS A 79 -7.196 19.266 8.687 1.00 0.00 C ATOM 1240 NZ LYS A 79 -7.107 19.718 7.280 1.00 0.00 N ATOM 0 H LYS A 79 -4.095 14.571 7.660 1.00 0.00 H new ATOM 0 HA LYS A 79 -6.912 15.036 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.428 16.564 7.828 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.699 17.381 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.419 16.069 9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.510 17.567 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.930 17.437 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.195 17.557 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.988 19.811 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.265 19.490 9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.179 20.157 7.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.222 18.902 6.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.857 20.413 7.090 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.441 14.979 4.838 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.677 14.960 3.404 1.00 0.00 C ATOM 1255 C TRP A 80 -6.566 13.755 3.088 1.00 0.00 C ATOM 1256 O TRP A 80 -7.530 13.870 2.333 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.358 14.950 2.630 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.529 14.983 1.110 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -5.367 14.258 0.358 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.805 15.819 0.182 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -5.238 14.563 -0.983 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -4.257 15.543 -1.092 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.801 16.776 0.412 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -3.763 16.181 -2.237 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -2.317 17.406 -0.741 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -2.762 17.138 -2.031 1.00 0.00 C ATOM 0 H TRP A 80 -4.487 14.747 5.116 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.192 15.866 3.086 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.762 15.809 2.937 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.795 14.057 2.903 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -6.057 13.526 0.751 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.765 14.147 -1.751 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.432 17.007 1.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -4.134 15.948 -3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.545 18.151 -0.620 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.337 17.666 -2.871 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.149 3.574 1.828 1.00 0.00 N ATOM 1384 CA LYS A 88 -12.921 2.179 1.493 1.00 0.00 C ATOM 1385 C LYS A 88 -11.508 2.019 0.932 1.00 0.00 C ATOM 1386 O LYS A 88 -11.069 0.905 0.653 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.017 1.668 0.555 1.00 0.00 C ATOM 1388 CG LYS A 88 -14.851 0.578 1.230 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.486 -0.349 0.192 1.00 0.00 C ATOM 1390 CE LYS A 88 -16.806 -0.927 0.706 1.00 0.00 C ATOM 1391 NZ LYS A 88 -16.553 -1.964 1.730 1.00 0.00 N ATOM 0 HA LYS A 88 -12.982 1.557 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.663 2.495 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.567 1.275 -0.356 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.220 -0.002 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.631 1.036 1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.661 0.201 -0.733 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.798 -1.160 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.418 -0.131 1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.369 -1.356 -0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -17.459 -2.346 2.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.987 -2.731 1.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.034 -1.545 2.528 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.832 3.149 0.784 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.476 3.148 0.261 1.00 0.00 C ATOM 1406 C LEU A 89 -8.494 2.893 1.406 1.00 0.00 C ATOM 1407 O LEU A 89 -8.429 3.669 2.357 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.198 4.440 -0.511 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.732 4.871 -0.591 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -6.941 3.952 -1.524 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.616 6.341 -0.999 1.00 0.00 C ATOM 0 H LEU A 89 -11.198 4.072 1.017 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.346 2.340 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.577 4.322 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.768 5.246 -0.049 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.292 4.777 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.902 4.280 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.985 2.929 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.372 3.991 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.564 6.623 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.077 6.485 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.124 6.964 -0.263 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.733 1.773 1.271 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.756 1.406 2.283 1.00 0.00 C ATOM 1425 C PRO A 90 -5.517 2.300 2.200 1.00 0.00 C ATOM 1426 O PRO A 90 -4.925 2.448 1.131 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.451 -0.060 2.020 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.910 -0.333 0.597 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.783 0.831 0.158 1.00 0.00 C ATOM 0 HA PRO A 90 -7.128 1.546 3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.386 -0.264 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.975 -0.701 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.052 -0.439 -0.067 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.468 -1.268 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.408 1.283 -0.760 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.805 0.507 -0.041 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.162 2.872 3.340 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.004 3.746 3.409 1.00 0.00 C ATOM 1439 C VAL A 91 -3.349 3.611 4.785 1.00 0.00 C ATOM 1440 O VAL A 91 -3.970 3.911 5.804 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.413 5.184 3.080 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.442 6.188 3.705 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -4.519 5.392 1.568 1.00 0.00 C ATOM 0 H VAL A 91 -5.656 2.747 4.224 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.262 3.455 2.666 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.398 5.358 3.512 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.756 7.202 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.439 6.065 4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.438 6.013 3.317 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.811 6.422 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.554 5.189 1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.268 4.714 1.159 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.103 3.162 4.770 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.358 2.984 6.005 1.00 0.00 C ATOM 1455 C VAL A 92 -0.327 4.105 6.139 1.00 0.00 C ATOM 1456 O VAL A 92 0.357 4.446 5.174 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.730 1.588 6.040 1.00 0.00 C ATOM 1458 CG1 VAL A 92 0.202 1.437 7.245 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.807 0.503 6.039 1.00 0.00 C ATOM 0 H VAL A 92 -1.591 2.916 3.923 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.024 3.049 6.866 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.132 1.466 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.635 0.437 7.247 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.999 2.178 7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.364 1.589 8.164 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.334 -0.479 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.444 0.622 6.916 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.412 0.591 5.136 1.00 0.00 H new ATOM 1469 N THR A 93 -0.247 4.651 7.345 1.00 0.00 N ATOM 1470 CA THR A 93 0.689 5.729 7.617 1.00 0.00 C ATOM 1471 C THR A 93 1.760 5.266 8.607 1.00 0.00 C ATOM 1472 O THR A 93 1.464 5.011 9.774 1.00 0.00 O ATOM 1473 CB THR A 93 -0.112 6.936 8.109 1.00 0.00 C ATOM 1474 OG1 THR A 93 -1.150 6.368 8.901 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.855 7.647 6.976 1.00 0.00 C ATOM 0 H THR A 93 -0.815 4.367 8.143 1.00 0.00 H new ATOM 0 HA THR A 93 1.228 6.023 6.716 1.00 0.00 H new ATOM 0 HB THR A 93 0.560 7.639 8.601 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.783 5.645 9.452 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.407 8.496 7.379 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.137 8.000 6.235 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.550 6.952 6.505 1.00 0.00 H new ATOM 1483 N ASP A 94 2.983 5.173 8.105 1.00 0.00 N ATOM 1484 CA ASP A 94 4.100 4.747 8.931 1.00 0.00 C ATOM 1485 C ASP A 94 5.092 5.902 9.077 1.00 0.00 C ATOM 1486 O ASP A 94 5.754 6.281 8.112 1.00 0.00 O ATOM 1487 CB ASP A 94 4.838 3.567 8.292 1.00 0.00 C ATOM 1488 CG ASP A 94 6.166 3.200 8.956 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.651 3.909 9.849 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.715 2.119 8.515 1.00 0.00 O ATOM 0 H ASP A 94 3.225 5.385 7.137 1.00 0.00 H new ATOM 0 HA ASP A 94 3.706 4.444 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.185 2.695 8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.025 3.799 7.244 1.00 0.00 H new ATOM 1496 N ASN A 95 5.164 6.429 10.289 1.00 0.00 N ATOM 1497 CA ASN A 95 6.065 7.533 10.574 1.00 0.00 C ATOM 1498 C ASN A 95 7.504 7.098 10.290 1.00 0.00 C ATOM 1499 O ASN A 95 7.995 6.141 10.885 1.00 0.00 O ATOM 1500 CB ASN A 95 5.978 7.949 12.043 1.00 0.00 C ATOM 1501 CG ASN A 95 6.949 9.094 12.346 1.00 0.00 C ATOM 1502 OD1 ASN A 95 8.097 9.093 11.936 1.00 0.00 O ATOM 1503 ND2 ASN A 95 6.424 10.065 13.087 1.00 0.00 N ATOM 0 H ASN A 95 4.613 6.112 11.087 1.00 0.00 H new ATOM 0 HA ASN A 95 5.778 8.374 9.943 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.960 8.259 12.277 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.206 7.095 12.681 1.00 0.00 H new ATOM 0 HD21 ASN A 95 6.991 10.873 13.345 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.454 10.002 13.397 1.00 0.00 H new ATOM 1510 N GLY A 96 8.138 7.822 9.379 1.00 0.00 N ATOM 1511 CA GLY A 96 9.511 7.523 9.009 1.00 0.00 C ATOM 1512 C GLY A 96 9.565 6.413 7.957 1.00 0.00 C ATOM 1513 O GLY A 96 10.613 6.168 7.362 1.00 0.00 O ATOM 0 H GLY A 96 7.726 8.615 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.991 8.421 8.620 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.072 7.219 9.893 1.00 0.00 H new ATOM 1517 N GLY A 97 8.424 5.771 7.761 1.00 0.00 N ATOM 1518 CA GLY A 97 8.328 4.693 6.792 1.00 0.00 C ATOM 1519 C GLY A 97 9.358 3.600 7.085 1.00 0.00 C ATOM 1520 O GLY A 97 10.247 3.345 6.273 1.00 0.00 O ATOM 0 H GLY A 97 7.557 5.977 8.257 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.325 4.268 6.814 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.486 5.087 5.788 1.00 0.00 H new ATOM 1524 N THR A 98 9.204 2.981 8.247 1.00 0.00 N ATOM 1525 CA THR A 98 10.110 1.922 8.658 1.00 0.00 C ATOM 1526 C THR A 98 10.231 0.867 7.555 1.00 0.00 C ATOM 1527 O THR A 98 11.336 0.481 7.180 1.00 0.00 O ATOM 1528 CB THR A 98 9.606 1.357 9.987 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.088 2.279 10.960 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.284 0.036 10.356 1.00 0.00 C ATOM 0 H THR A 98 8.465 3.193 8.917 1.00 0.00 H new ATOM 0 HA THR A 98 11.119 2.303 8.813 1.00 0.00 H new ATOM 0 HB THR A 98 8.528 1.208 9.933 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.805 1.990 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.890 -0.322 11.307 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.086 -0.704 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.359 0.191 10.444 1.00 0.00 H new ATOM 1538 N ILE A 99 9.079 0.432 7.069 1.00 0.00 N ATOM 1539 CA ILE A 99 9.041 -0.571 6.016 1.00 0.00 C ATOM 1540 C ILE A 99 9.693 -0.003 4.755 1.00 0.00 C ATOM 1541 O ILE A 99 10.446 -0.699 4.076 1.00 0.00 O ATOM 1542 CB ILE A 99 7.609 -1.066 5.800 1.00 0.00 C ATOM 1543 CG1 ILE A 99 6.985 -1.532 7.117 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.563 -2.154 4.727 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.550 -1.022 7.254 1.00 0.00 C ATOM 0 H ILE A 99 8.164 0.755 7.384 1.00 0.00 H new ATOM 0 HA ILE A 99 9.617 -1.450 6.305 1.00 0.00 H new ATOM 0 HB ILE A 99 7.009 -0.231 5.438 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.994 -2.621 7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.584 -1.173 7.954 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.535 -2.489 4.592 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.940 -1.753 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.181 -2.997 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.130 -1.367 8.199 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.548 0.068 7.233 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.948 -1.402 6.429 1.00 0.00 H new ATOM 1557 N ALA A 100 9.379 1.255 4.479 1.00 0.00 N ATOM 1558 CA ALA A 100 9.926 1.922 3.309 1.00 0.00 C ATOM 1559 C ALA A 100 11.446 2.020 3.448 1.00 0.00 C ATOM 1560 O ALA A 100 12.178 1.757 2.495 1.00 0.00 O ATOM 1561 CB ALA A 100 9.265 3.293 3.149 1.00 0.00 C ATOM 0 H ALA A 100 8.754 1.829 5.045 1.00 0.00 H new ATOM 0 HA ALA A 100 9.714 1.350 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.674 3.794 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.189 3.166 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.460 3.896 4.036 1.00 0.00 H new ATOM 1567 N GLN A 101 11.875 2.401 4.642 1.00 0.00 N ATOM 1568 CA GLN A 101 13.296 2.538 4.918 1.00 0.00 C ATOM 1569 C GLN A 101 13.954 1.160 5.008 1.00 0.00 C ATOM 1570 O GLN A 101 15.082 0.976 4.553 1.00 0.00 O ATOM 1571 CB GLN A 101 13.532 3.343 6.197 1.00 0.00 C ATOM 1572 CG GLN A 101 13.405 4.844 5.931 1.00 0.00 C ATOM 1573 CD GLN A 101 14.406 5.636 6.774 1.00 0.00 C ATOM 1574 OE1 GLN A 101 14.105 6.117 7.855 1.00 0.00 O ATOM 1575 NE2 GLN A 101 15.612 5.745 6.223 1.00 0.00 N ATOM 0 H GLN A 101 11.264 2.619 5.429 1.00 0.00 H new ATOM 0 HA GLN A 101 13.755 3.085 4.095 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.812 3.043 6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.524 3.123 6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.575 5.045 4.873 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.391 5.173 6.159 1.00 0.00 H new ATOM 0 HE21 GLN A 101 15.798 5.319 5.315 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.350 6.255 6.708 1.00 0.00 H new ATOM 1584 N SER A 102 13.221 0.227 5.597 1.00 0.00 N ATOM 1585 CA SER A 102 13.720 -1.130 5.752 1.00 0.00 C ATOM 1586 C SER A 102 13.983 -1.751 4.379 1.00 0.00 C ATOM 1587 O SER A 102 14.871 -2.590 4.233 1.00 0.00 O ATOM 1588 CB SER A 102 12.735 -1.991 6.544 1.00 0.00 C ATOM 1589 OG SER A 102 11.623 -2.399 5.751 1.00 0.00 O ATOM 0 H SER A 102 12.286 0.383 5.973 1.00 0.00 H new ATOM 0 HA SER A 102 14.655 -1.089 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.250 -2.872 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.378 -1.431 7.408 1.00 0.00 H new ATOM 0 HG SER A 102 11.422 -1.706 5.088 1.00 0.00 H new ATOM 1595 N LEU A 103 13.194 -1.316 3.407 1.00 0.00 N ATOM 1596 CA LEU A 103 13.331 -1.819 2.051 1.00 0.00 C ATOM 1597 C LEU A 103 14.046 -0.774 1.193 1.00 0.00 C ATOM 1598 O LEU A 103 14.454 -1.061 0.069 1.00 0.00 O ATOM 1599 CB LEU A 103 11.970 -2.244 1.496 1.00 0.00 C ATOM 1600 CG LEU A 103 11.550 -3.687 1.778 1.00 0.00 C ATOM 1601 CD1 LEU A 103 10.030 -3.841 1.701 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.273 -4.660 0.846 1.00 0.00 C ATOM 0 H LEU A 103 12.458 -0.621 3.532 1.00 0.00 H new ATOM 0 HA LEU A 103 13.948 -2.717 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.210 -1.579 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.977 -2.093 0.416 1.00 0.00 H new ATOM 0 HG LEU A 103 11.847 -3.936 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.758 -4.877 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.561 -3.190 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.686 -3.566 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.956 -5.679 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.029 -4.421 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.349 -4.574 0.994 1.00 0.00 H new ATOM 1614 N ASN A 104 14.175 0.419 1.756 1.00 0.00 N ATOM 1615 CA ASN A 104 14.834 1.509 1.056 1.00 0.00 C ATOM 1616 C ASN A 104 13.986 1.922 -0.149 1.00 0.00 C ATOM 1617 O ASN A 104 14.453 1.877 -1.285 1.00 0.00 O ATOM 1618 CB ASN A 104 16.211 1.083 0.542 1.00 0.00 C ATOM 1619 CG ASN A 104 17.012 2.291 0.056 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.035 2.622 -1.117 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.668 2.928 1.023 1.00 0.00 N ATOM 0 H ASN A 104 13.835 0.654 2.688 1.00 0.00 H new ATOM 0 HA ASN A 104 14.952 2.336 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 104 16.758 0.575 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.094 0.368 -0.272 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.234 3.747 0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.605 2.597 1.986 1.00 0.00 H new ATOM 1628 N ILE A 105 12.755 2.315 0.140 1.00 0.00 N ATOM 1629 CA ILE A 105 11.837 2.735 -0.904 1.00 0.00 C ATOM 1630 C ILE A 105 11.731 4.262 -0.900 1.00 0.00 C ATOM 1631 O ILE A 105 10.834 4.822 -0.272 1.00 0.00 O ATOM 1632 CB ILE A 105 10.491 2.024 -0.755 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.683 0.516 -0.589 1.00 0.00 C ATOM 1634 CG2 ILE A 105 9.562 2.357 -1.923 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.351 -0.179 -0.297 1.00 0.00 C ATOM 0 H ILE A 105 12.371 2.351 1.084 1.00 0.00 H new ATOM 0 HA ILE A 105 12.216 2.444 -1.883 1.00 0.00 H new ATOM 0 HB ILE A 105 10.011 2.390 0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.123 0.100 -1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.384 0.322 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 105 8.612 1.838 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.387 3.432 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.024 2.038 -2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.517 -1.250 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 105 8.925 0.222 0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.661 -0.004 -1.122 1.00 0.00 H new ATOM 1647 N SER A 106 12.657 4.890 -1.609 1.00 0.00 N ATOM 1648 CA SER A 106 12.678 6.340 -1.694 1.00 0.00 C ATOM 1649 C SER A 106 12.172 6.790 -3.067 1.00 0.00 C ATOM 1650 O SER A 106 12.533 7.868 -3.541 1.00 0.00 O ATOM 1651 CB SER A 106 14.085 6.886 -1.441 1.00 0.00 C ATOM 1652 OG SER A 106 14.987 6.547 -2.491 1.00 0.00 O ATOM 0 H SER A 106 13.398 4.421 -2.130 1.00 0.00 H new ATOM 0 HA SER A 106 12.019 6.738 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.040 7.970 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.463 6.492 -0.498 1.00 0.00 H new ATOM 0 HG SER A 106 15.873 6.915 -2.293 1.00 0.00 H new ATOM 1658 N VAL A 107 11.348 5.945 -3.665 1.00 0.00 N ATOM 1659 CA VAL A 107 10.789 6.242 -4.973 1.00 0.00 C ATOM 1660 C VAL A 107 9.326 5.796 -5.012 1.00 0.00 C ATOM 1661 O VAL A 107 9.002 4.684 -4.599 1.00 0.00 O ATOM 1662 CB VAL A 107 11.641 5.594 -6.066 1.00 0.00 C ATOM 1663 CG1 VAL A 107 12.057 4.176 -5.668 1.00 0.00 C ATOM 1664 CG2 VAL A 107 10.904 5.593 -7.407 1.00 0.00 C ATOM 0 H VAL A 107 11.053 5.053 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 107 10.806 7.316 -5.160 1.00 0.00 H new ATOM 0 HB VAL A 107 12.547 6.189 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.662 3.738 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.639 4.213 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 107 11.167 3.566 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.531 5.127 -8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.974 5.033 -7.311 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.681 6.619 -7.700 1.00 0.00 H new ATOM 1674 N TYR A 108 8.482 6.688 -5.511 1.00 0.00 N ATOM 1675 CA TYR A 108 7.061 6.401 -5.609 1.00 0.00 C ATOM 1676 C TYR A 108 6.531 6.724 -7.007 1.00 0.00 C ATOM 1677 O TYR A 108 7.093 7.562 -7.710 1.00 0.00 O ATOM 1678 CB TYR A 108 6.374 7.314 -4.592 1.00 0.00 C ATOM 1679 CG TYR A 108 6.815 7.077 -3.146 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.163 5.808 -2.729 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.862 8.132 -2.258 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.576 5.585 -1.368 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.277 7.909 -0.897 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.613 6.647 -0.520 1.00 0.00 C ATOM 1685 OH TYR A 108 8.004 6.437 0.767 1.00 0.00 O ATOM 0 H TYR A 108 8.755 7.610 -5.852 1.00 0.00 H new ATOM 0 HA TYR A 108 6.870 5.345 -5.418 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.575 8.352 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.296 7.171 -4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.125 4.982 -3.424 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.588 9.125 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.850 4.597 -1.029 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.320 8.726 -0.192 1.00 0.00 H new ATOM 0 HH TYR A 108 7.984 7.285 1.258 1.00 0.00 H new ATOM 1695 N PRO A 109 5.426 6.023 -7.379 1.00 0.00 N ATOM 1696 CA PRO A 109 4.823 5.048 -6.488 1.00 0.00 C ATOM 1697 C PRO A 109 5.656 3.768 -6.430 1.00 0.00 C ATOM 1698 O PRO A 109 6.706 3.675 -7.067 1.00 0.00 O ATOM 1699 CB PRO A 109 3.424 4.822 -7.040 1.00 0.00 C ATOM 1700 CG PRO A 109 3.458 5.320 -8.475 1.00 0.00 C ATOM 1701 CD PRO A 109 4.725 6.140 -8.655 1.00 0.00 C ATOM 0 HA PRO A 109 4.778 5.394 -5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.153 3.767 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.681 5.365 -6.456 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.445 4.481 -9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.578 5.926 -8.690 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.331 5.758 -9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.494 7.180 -8.886 1.00 0.00 H new ATOM 1709 N SER A 110 5.161 2.809 -5.659 1.00 0.00 N ATOM 1710 CA SER A 110 5.849 1.538 -5.511 1.00 0.00 C ATOM 1711 C SER A 110 4.861 0.459 -5.061 1.00 0.00 C ATOM 1712 O SER A 110 3.763 0.771 -4.604 1.00 0.00 O ATOM 1713 CB SER A 110 7.004 1.650 -4.513 1.00 0.00 C ATOM 1714 OG SER A 110 7.379 3.004 -4.281 1.00 0.00 O ATOM 0 H SER A 110 4.292 2.888 -5.131 1.00 0.00 H new ATOM 0 HA SER A 110 6.267 1.259 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.714 1.187 -3.570 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.863 1.095 -4.889 1.00 0.00 H new ATOM 0 HG SER A 110 8.263 3.170 -4.671 1.00 0.00 H new ATOM 1720 N TRP A 111 5.288 -0.787 -5.206 1.00 0.00 N ATOM 1721 CA TRP A 111 4.455 -1.913 -4.820 1.00 0.00 C ATOM 1722 C TRP A 111 5.342 -2.934 -4.105 1.00 0.00 C ATOM 1723 O TRP A 111 6.463 -3.200 -4.539 1.00 0.00 O ATOM 1724 CB TRP A 111 3.728 -2.497 -6.032 1.00 0.00 C ATOM 1725 CG TRP A 111 2.803 -1.506 -6.740 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.132 -0.558 -7.628 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.371 -1.403 -6.582 1.00 0.00 C ATOM 1728 NE1 TRP A 111 2.023 0.145 -8.052 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.919 -0.385 -7.396 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.489 -2.145 -5.777 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.429 -0.016 -7.485 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.855 -1.764 -5.877 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.326 -0.741 -6.693 1.00 0.00 C ATOM 0 H TRP A 111 6.200 -1.041 -5.585 1.00 0.00 H new ATOM 0 HA TRP A 111 3.669 -1.595 -4.135 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.467 -2.861 -6.745 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.143 -3.359 -5.711 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.139 -0.368 -7.969 1.00 0.00 H new ATOM 0 HE1 TRP A 111 2.015 0.913 -8.724 1.00 0.00 H new ATOM 0 HE3 TRP A 111 0.821 -2.945 -5.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.758 0.785 -8.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.576 -2.302 -5.279 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.380 -0.507 -6.715 1.00 0.00 H new ATOM 1744 N ALA A 112 4.810 -3.478 -3.021 1.00 0.00 N ATOM 1745 CA ALA A 112 5.540 -4.464 -2.242 1.00 0.00 C ATOM 1746 C ALA A 112 4.656 -5.696 -2.031 1.00 0.00 C ATOM 1747 O ALA A 112 3.461 -5.569 -1.767 1.00 0.00 O ATOM 1748 CB ALA A 112 5.993 -3.839 -0.922 1.00 0.00 C ATOM 0 H ALA A 112 3.881 -3.255 -2.663 1.00 0.00 H new ATOM 0 HA ALA A 112 6.435 -4.787 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.540 -4.579 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.641 -2.987 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.121 -3.505 -0.359 1.00 0.00 H new ATOM 1754 N LEU A 113 5.279 -6.859 -2.153 1.00 0.00 N ATOM 1755 CA LEU A 113 4.565 -8.111 -1.979 1.00 0.00 C ATOM 1756 C LEU A 113 5.003 -8.766 -0.666 1.00 0.00 C ATOM 1757 O LEU A 113 6.193 -8.808 -0.359 1.00 0.00 O ATOM 1758 CB LEU A 113 4.748 -9.009 -3.203 1.00 0.00 C ATOM 1759 CG LEU A 113 4.241 -10.445 -3.065 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.712 -10.496 -3.124 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.886 -11.358 -4.111 1.00 0.00 C ATOM 0 H LEU A 113 6.270 -6.960 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 113 3.493 -7.929 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.239 -8.545 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.809 -9.042 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 113 4.538 -10.818 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.378 -11.529 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.296 -9.900 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.371 -10.096 -4.079 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.508 -12.373 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.642 -10.996 -5.110 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.968 -11.356 -3.978 1.00 0.00 H new ATOM 1773 N ILE A 114 4.018 -9.258 0.071 1.00 0.00 N ATOM 1774 CA ILE A 114 4.288 -9.907 1.342 1.00 0.00 C ATOM 1775 C ILE A 114 3.748 -11.339 1.303 1.00 0.00 C ATOM 1776 O ILE A 114 2.558 -11.551 1.076 1.00 0.00 O ATOM 1777 CB ILE A 114 3.734 -9.072 2.498 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.364 -7.679 2.519 1.00 0.00 C ATOM 1779 CG2 ILE A 114 3.908 -9.800 3.833 1.00 0.00 C ATOM 1780 CD1 ILE A 114 5.857 -7.757 2.844 1.00 0.00 C ATOM 0 H ILE A 114 3.032 -9.220 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 114 5.362 -9.975 1.515 1.00 0.00 H new ATOM 0 HB ILE A 114 2.664 -8.939 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.224 -7.198 1.551 1.00 0.00 H new ATOM 0 HG13 ILE A 114 3.859 -7.059 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.506 -9.185 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.375 -10.750 3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 114 4.967 -9.984 4.012 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.280 -6.753 2.853 1.00 0.00 H new ATOM 0 HD12 ILE A 114 5.993 -8.216 3.823 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.363 -8.358 2.088 1.00 0.00 H new ATOM 1792 N GLY A 115 4.649 -12.284 1.529 1.00 0.00 N ATOM 1793 CA GLY A 115 4.279 -13.688 1.523 1.00 0.00 C ATOM 1794 C GLY A 115 3.049 -13.934 2.400 1.00 0.00 C ATOM 1795 O GLY A 115 2.633 -13.055 3.152 1.00 0.00 O ATOM 0 H GLY A 115 5.635 -12.104 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.072 -14.009 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.114 -14.289 1.884 1.00 0.00 H new ATOM 1799 N LYS A 116 2.504 -15.136 2.275 1.00 0.00 N ATOM 1800 CA LYS A 116 1.331 -15.508 3.047 1.00 0.00 C ATOM 1801 C LYS A 116 1.711 -15.616 4.525 1.00 0.00 C ATOM 1802 O LYS A 116 0.840 -15.642 5.393 1.00 0.00 O ATOM 1803 CB LYS A 116 0.700 -16.783 2.480 1.00 0.00 C ATOM 1804 CG LYS A 116 1.587 -18.000 2.748 1.00 0.00 C ATOM 1805 CD LYS A 116 0.785 -19.298 2.638 1.00 0.00 C ATOM 1806 CE LYS A 116 0.985 -19.952 1.270 1.00 0.00 C ATOM 1807 NZ LYS A 116 -0.276 -19.933 0.497 1.00 0.00 N ATOM 0 H LYS A 116 2.853 -15.864 1.651 1.00 0.00 H new ATOM 0 HA LYS A 116 0.564 -14.737 2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.281 -16.938 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.546 -16.670 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.412 -18.017 2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 116 2.026 -17.923 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.094 -19.988 3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.273 -19.090 2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.764 -19.425 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.325 -20.980 1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.122 -20.381 -0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -1.010 -20.455 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -0.584 -18.949 0.359 1.00 0.00 H new ATOM 1820 N ASP A 117 3.013 -15.675 4.764 1.00 0.00 N ATOM 1821 CA ASP A 117 3.518 -15.779 6.123 1.00 0.00 C ATOM 1822 C ASP A 117 3.540 -14.388 6.763 1.00 0.00 C ATOM 1823 O ASP A 117 3.549 -14.265 7.986 1.00 0.00 O ATOM 1824 CB ASP A 117 4.948 -16.326 6.138 1.00 0.00 C ATOM 1825 CG ASP A 117 5.054 -17.846 6.266 1.00 0.00 C ATOM 1826 OD1 ASP A 117 4.821 -18.587 5.299 1.00 0.00 O ATOM 1827 OD2 ASP A 117 5.399 -18.273 7.434 1.00 0.00 O ATOM 0 H ASP A 117 3.732 -15.653 4.041 1.00 0.00 H new ATOM 0 HA ASP A 117 2.865 -16.456 6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.449 -16.017 5.221 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.488 -15.868 6.966 1.00 0.00 H new ATOM 1833 N GLY A 118 3.546 -13.378 5.906 1.00 0.00 N ATOM 1834 CA GLY A 118 3.565 -12.001 6.371 1.00 0.00 C ATOM 1835 C GLY A 118 4.979 -11.422 6.313 1.00 0.00 C ATOM 1836 O GLY A 118 5.339 -10.570 7.123 1.00 0.00 O ATOM 0 H GLY A 118 3.538 -13.485 4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.896 -11.397 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.191 -11.954 7.394 1.00 0.00 H new ATOM 1840 N ASP A 119 5.744 -11.908 5.345 1.00 0.00 N ATOM 1841 CA ASP A 119 7.111 -11.450 5.171 1.00 0.00 C ATOM 1842 C ASP A 119 7.291 -10.930 3.743 1.00 0.00 C ATOM 1843 O ASP A 119 6.503 -11.254 2.857 1.00 0.00 O ATOM 1844 CB ASP A 119 8.108 -12.590 5.388 1.00 0.00 C ATOM 1845 CG ASP A 119 8.199 -13.597 4.239 1.00 0.00 C ATOM 1846 OD1 ASP A 119 9.098 -13.518 3.391 1.00 0.00 O ATOM 1847 OD2 ASP A 119 7.281 -14.505 4.235 1.00 0.00 O ATOM 0 H ASP A 119 5.442 -12.614 4.674 1.00 0.00 H new ATOM 0 HA ASP A 119 7.299 -10.664 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.096 -12.161 5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.834 -13.124 6.298 1.00 0.00 H new ATOM 1853 N VAL A 120 8.334 -10.132 3.566 1.00 0.00 N ATOM 1854 CA VAL A 120 8.628 -9.564 2.261 1.00 0.00 C ATOM 1855 C VAL A 120 8.874 -10.695 1.260 1.00 0.00 C ATOM 1856 O VAL A 120 9.812 -11.475 1.419 1.00 0.00 O ATOM 1857 CB VAL A 120 9.804 -8.591 2.366 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.300 -8.179 0.979 1.00 0.00 C ATOM 1859 CG2 VAL A 120 9.430 -7.366 3.201 1.00 0.00 C ATOM 0 H VAL A 120 8.986 -9.865 4.304 1.00 0.00 H new ATOM 0 HA VAL A 120 7.778 -8.987 1.896 1.00 0.00 H new ATOM 0 HB VAL A 120 10.620 -9.105 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.136 -7.487 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.626 -9.063 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.492 -7.692 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.284 -6.691 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.591 -6.850 2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.148 -7.682 4.205 1.00 0.00 H new ATOM 1869 N GLN A 121 8.015 -10.749 0.253 1.00 0.00 N ATOM 1870 CA GLN A 121 8.129 -11.771 -0.772 1.00 0.00 C ATOM 1871 C GLN A 121 8.864 -11.218 -1.996 1.00 0.00 C ATOM 1872 O GLN A 121 9.840 -11.808 -2.455 1.00 0.00 O ATOM 1873 CB GLN A 121 6.751 -12.313 -1.161 1.00 0.00 C ATOM 1874 CG GLN A 121 6.811 -13.817 -1.437 1.00 0.00 C ATOM 1875 CD GLN A 121 6.118 -14.160 -2.757 1.00 0.00 C ATOM 1876 OE1 GLN A 121 6.678 -14.033 -3.834 1.00 0.00 O ATOM 1877 NE2 GLN A 121 4.871 -14.600 -2.614 1.00 0.00 N ATOM 0 H GLN A 121 7.237 -10.101 0.125 1.00 0.00 H new ATOM 0 HA GLN A 121 8.710 -12.600 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.039 -12.115 -0.360 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.388 -11.791 -2.047 1.00 0.00 H new ATOM 0 HG2 GLN A 121 7.851 -14.143 -1.473 1.00 0.00 H new ATOM 0 HG3 GLN A 121 6.335 -14.360 -0.620 1.00 0.00 H new ATOM 0 HE21 GLN A 121 4.463 -14.682 -1.683 1.00 0.00 H new ATOM 0 HE22 GLN A 121 4.323 -14.855 -3.435 1.00 0.00 H new ATOM 1886 N ARG A 122 8.367 -10.092 -2.486 1.00 0.00 N ATOM 1887 CA ARG A 122 8.965 -9.453 -3.646 1.00 0.00 C ATOM 1888 C ARG A 122 8.785 -7.936 -3.568 1.00 0.00 C ATOM 1889 O ARG A 122 7.887 -7.448 -2.883 1.00 0.00 O ATOM 1890 CB ARG A 122 8.338 -9.969 -4.943 1.00 0.00 C ATOM 1891 CG ARG A 122 9.346 -9.931 -6.093 1.00 0.00 C ATOM 1892 CD ARG A 122 9.707 -11.345 -6.554 1.00 0.00 C ATOM 1893 NE ARG A 122 9.669 -11.420 -8.031 1.00 0.00 N ATOM 1894 CZ ARG A 122 9.955 -12.532 -8.739 1.00 0.00 C ATOM 1895 NH1 ARG A 122 10.306 -13.675 -8.110 1.00 0.00 N ATOM 1896 NH2 ARG A 122 9.890 -12.487 -10.057 1.00 0.00 N ATOM 0 H ARG A 122 7.557 -9.606 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 122 10.028 -9.696 -3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 122 7.984 -10.990 -4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 122 7.468 -9.363 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 122 8.929 -9.368 -6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.247 -9.408 -5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 122 10.701 -11.612 -6.193 1.00 0.00 H new ATOM 0 HD3 ARG A 122 9.009 -12.065 -6.127 1.00 0.00 H new ATOM 0 HE ARG A 122 9.410 -10.578 -8.546 1.00 0.00 H new ATOM 0 HH11 ARG A 122 10.356 -13.702 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 122 10.521 -14.511 -8.654 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.627 -11.620 -10.525 1.00 0.00 H new ATOM 0 HH22 ARG A 122 10.103 -13.319 -10.607 1.00 0.00 H new ATOM 1909 N ILE A 123 9.654 -7.231 -4.279 1.00 0.00 N ATOM 1910 CA ILE A 123 9.602 -5.779 -4.299 1.00 0.00 C ATOM 1911 C ILE A 123 9.380 -5.301 -5.735 1.00 0.00 C ATOM 1912 O ILE A 123 9.981 -5.829 -6.669 1.00 0.00 O ATOM 1913 CB ILE A 123 10.850 -5.189 -3.640 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.721 -3.672 -3.481 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.112 -5.580 -4.411 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.007 -3.247 -2.040 1.00 0.00 C ATOM 0 H ILE A 123 10.398 -7.639 -4.845 1.00 0.00 H new ATOM 0 HA ILE A 123 8.759 -5.420 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 123 10.941 -5.610 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.415 -3.171 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.717 -3.357 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.985 -5.148 -3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.206 -6.666 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.045 -5.205 -5.432 1.00 0.00 H new ATOM 0 HD11 ILE A 123 10.909 -2.165 -1.954 1.00 0.00 H new ATOM 0 HD12 ILE A 123 10.296 -3.731 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.020 -3.542 -1.768 1.00 0.00 H new ATOM 1928 N VAL A 124 8.514 -4.306 -5.865 1.00 0.00 N ATOM 1929 CA VAL A 124 8.206 -3.750 -7.173 1.00 0.00 C ATOM 1930 C VAL A 124 8.200 -2.223 -7.084 1.00 0.00 C ATOM 1931 O VAL A 124 7.574 -1.652 -6.193 1.00 0.00 O ATOM 1932 CB VAL A 124 6.883 -4.324 -7.685 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.458 -3.643 -8.988 1.00 0.00 C ATOM 1934 CG2 VAL A 124 6.976 -5.840 -7.865 1.00 0.00 C ATOM 0 H VAL A 124 8.017 -3.871 -5.088 1.00 0.00 H new ATOM 0 HA VAL A 124 8.970 -4.030 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 124 6.118 -4.122 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.515 -4.069 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.332 -2.574 -8.816 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.224 -3.800 -9.747 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.023 -6.222 -8.230 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.760 -6.073 -8.585 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.212 -6.306 -6.908 1.00 0.00 H new ATOM 1944 N LYS A 125 8.904 -1.605 -8.021 1.00 0.00 N ATOM 1945 CA LYS A 125 8.988 -0.154 -8.060 1.00 0.00 C ATOM 1946 C LYS A 125 8.446 0.347 -9.400 1.00 0.00 C ATOM 1947 O LYS A 125 8.814 -0.168 -10.455 1.00 0.00 O ATOM 1948 CB LYS A 125 10.415 0.307 -7.762 1.00 0.00 C ATOM 1949 CG LYS A 125 11.436 -0.543 -8.521 1.00 0.00 C ATOM 1950 CD LYS A 125 12.669 0.284 -8.895 1.00 0.00 C ATOM 1951 CE LYS A 125 13.933 -0.578 -8.878 1.00 0.00 C ATOM 1952 NZ LYS A 125 15.101 0.225 -8.453 1.00 0.00 N ATOM 0 H LYS A 125 9.422 -2.082 -8.759 1.00 0.00 H new ATOM 0 HA LYS A 125 8.367 0.286 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 125 10.529 1.354 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 125 10.606 0.241 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.736 -1.392 -7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 125 10.978 -0.948 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.534 0.718 -9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.781 1.113 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.797 -1.420 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.111 -0.993 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.951 -0.375 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.239 1.014 -9.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.935 0.600 -7.497 1.00 0.00 H new ATOM 1965 N GLY A 126 7.580 1.346 -9.315 1.00 0.00 N ATOM 1966 CA GLY A 126 6.984 1.924 -10.507 1.00 0.00 C ATOM 1967 C GLY A 126 5.456 1.862 -10.442 1.00 0.00 C ATOM 1968 O GLY A 126 4.874 1.959 -9.363 1.00 0.00 O ATOM 0 H GLY A 126 7.277 1.770 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.305 2.960 -10.613 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.336 1.390 -11.389 1.00 0.00 H new ATOM 1972 N SER A 127 4.852 1.702 -11.609 1.00 0.00 N ATOM 1973 CA SER A 127 3.404 1.625 -11.699 1.00 0.00 C ATOM 1974 C SER A 127 2.991 0.374 -12.476 1.00 0.00 C ATOM 1975 O SER A 127 3.721 -0.084 -13.355 1.00 0.00 O ATOM 1976 CB SER A 127 2.826 2.878 -12.362 1.00 0.00 C ATOM 1977 OG SER A 127 3.637 4.025 -12.132 1.00 0.00 O ATOM 0 H SER A 127 5.339 1.623 -12.502 1.00 0.00 H new ATOM 0 HA SER A 127 3.002 1.563 -10.688 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.732 2.710 -13.435 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.822 3.061 -11.979 1.00 0.00 H new ATOM 0 HG SER A 127 3.236 4.803 -12.572 1.00 0.00 H new ATOM 1983 N ILE A 128 1.822 -0.144 -12.127 1.00 0.00 N ATOM 1984 CA ILE A 128 1.305 -1.333 -12.781 1.00 0.00 C ATOM 1985 C ILE A 128 -0.151 -1.095 -13.186 1.00 0.00 C ATOM 1986 O ILE A 128 -0.796 -0.177 -12.682 1.00 0.00 O ATOM 1987 CB ILE A 128 1.502 -2.563 -11.893 1.00 0.00 C ATOM 1988 CG1 ILE A 128 0.947 -2.319 -10.487 1.00 0.00 C ATOM 1989 CG2 ILE A 128 2.972 -2.988 -11.862 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.541 -3.635 -9.823 1.00 0.00 C ATOM 0 H ILE A 128 1.218 0.239 -11.399 1.00 0.00 H new ATOM 0 HA ILE A 128 1.862 -1.536 -13.695 1.00 0.00 H new ATOM 0 HB ILE A 128 0.937 -3.389 -12.324 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.698 -1.817 -9.878 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.085 -1.654 -10.543 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.084 -3.864 -11.224 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.302 -3.230 -12.872 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.578 -2.172 -11.468 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.150 -3.434 -8.826 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -0.228 -4.123 -10.422 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.411 -4.288 -9.747 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.625 -1.935 -14.092 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.993 -1.828 -14.570 1.00 0.00 C ATOM 2004 C ASN A 129 -2.825 -2.971 -13.985 1.00 0.00 C ATOM 2005 O ASN A 129 -2.277 -3.925 -13.437 1.00 0.00 O ATOM 2006 CB ASN A 129 -2.052 -1.934 -16.096 1.00 0.00 C ATOM 2007 CG ASN A 129 -1.023 -2.937 -16.617 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -1.068 -4.122 -16.325 1.00 0.00 O ATOM 2009 ND2 ASN A 129 -0.093 -2.401 -17.403 1.00 0.00 N ATOM 0 H ASN A 129 -0.086 -2.694 -14.509 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.384 -0.859 -14.259 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -3.052 -2.240 -16.404 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.868 -0.955 -16.539 1.00 0.00 H new ATOM 0 HD21 ASN A 129 0.639 -2.989 -17.801 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -0.112 -1.402 -17.608 1.00 0.00 H new ATOM 2016 N GLU A 130 -4.136 -2.834 -14.120 1.00 0.00 N ATOM 2017 CA GLU A 130 -5.050 -3.843 -13.609 1.00 0.00 C ATOM 2018 C GLU A 130 -4.658 -5.225 -14.133 1.00 0.00 C ATOM 2019 O GLU A 130 -4.730 -6.213 -13.402 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.497 -3.508 -13.976 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.429 -4.677 -13.659 1.00 0.00 C ATOM 2022 CD GLU A 130 -8.854 -4.189 -13.396 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -9.528 -3.713 -14.321 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.258 -4.317 -12.177 1.00 0.00 O ATOM 0 H GLU A 130 -4.587 -2.041 -14.575 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.979 -3.854 -12.521 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.819 -2.623 -13.427 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.560 -3.266 -15.037 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.430 -5.381 -14.491 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.059 -5.215 -12.786 1.00 0.00 H new ATOM 2032 N ALA A 131 -4.254 -5.254 -15.394 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.851 -6.500 -16.024 1.00 0.00 C ATOM 2034 C ALA A 131 -2.661 -7.089 -15.263 1.00 0.00 C ATOM 2035 O ALA A 131 -2.671 -8.264 -14.901 1.00 0.00 O ATOM 2036 CB ALA A 131 -3.532 -6.248 -17.499 1.00 0.00 C ATOM 0 H ALA A 131 -4.197 -4.434 -15.997 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.661 -7.228 -15.986 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.230 -7.183 -17.971 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.417 -5.858 -18.001 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.721 -5.524 -17.577 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.663 -6.245 -15.042 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.469 -6.668 -14.331 1.00 0.00 C ATOM 2044 C GLN A 132 -0.848 -7.350 -13.015 1.00 0.00 C ATOM 2045 O GLN A 132 -0.303 -8.398 -12.676 1.00 0.00 O ATOM 2046 CB GLN A 132 0.469 -5.485 -14.086 1.00 0.00 C ATOM 2047 CG GLN A 132 1.491 -5.350 -15.215 1.00 0.00 C ATOM 2048 CD GLN A 132 2.142 -3.966 -15.207 1.00 0.00 C ATOM 2049 OE1 GLN A 132 1.493 -2.945 -15.373 1.00 0.00 O ATOM 2050 NE2 GLN A 132 3.455 -3.987 -15.003 1.00 0.00 N ATOM 0 H GLN A 132 -1.657 -5.270 -15.343 1.00 0.00 H new ATOM 0 HA GLN A 132 0.063 -7.390 -14.950 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.112 -4.566 -14.006 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.987 -5.618 -13.136 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.258 -6.117 -15.108 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.002 -5.520 -16.174 1.00 0.00 H new ATOM 0 HE21 GLN A 132 3.936 -4.877 -14.871 1.00 0.00 H new ATOM 0 HE22 GLN A 132 3.981 -3.114 -14.978 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.780 -6.727 -12.308 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.238 -7.259 -11.038 1.00 0.00 C ATOM 2061 C ALA A 133 -2.678 -8.713 -11.228 1.00 0.00 C ATOM 2062 O ALA A 133 -2.265 -9.594 -10.477 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.361 -6.378 -10.488 1.00 0.00 C ATOM 0 H ALA A 133 -2.230 -5.857 -12.593 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.430 -7.251 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.704 -6.779 -9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -2.990 -5.364 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.191 -6.363 -11.195 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.512 -8.917 -12.239 1.00 0.00 N ATOM 2070 CA LEU A 134 -4.012 -10.248 -12.537 1.00 0.00 C ATOM 2071 C LEU A 134 -2.832 -11.208 -12.704 1.00 0.00 C ATOM 2072 O LEU A 134 -2.787 -12.259 -12.065 1.00 0.00 O ATOM 2073 CB LEU A 134 -4.948 -10.208 -13.747 1.00 0.00 C ATOM 2074 CG LEU A 134 -6.020 -9.117 -13.733 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.096 -9.389 -14.784 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.614 -8.953 -12.332 1.00 0.00 C ATOM 0 H LEU A 134 -3.853 -8.184 -12.860 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.613 -10.624 -11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.343 -10.083 -14.645 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.444 -11.175 -13.829 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.548 -8.171 -13.997 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.845 -8.598 -14.751 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.640 -9.416 -15.773 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.572 -10.348 -14.578 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.374 -8.172 -12.348 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -7.067 -9.893 -12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.825 -8.678 -11.632 1.00 0.00 H new