USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 821 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 57 TYR OH : rot 30:sc= -0.0679 USER MOD Set 1.2: A 97 GLN : amide:sc= -3.44 K(o=-4.5,f=-11!) USER MOD Set 1.3: A 107 MET CE :methyl -158:sc= -0.956 (180deg=-2.12) USER MOD Set 2.1: A 87 THR OG1 : rot 103:sc= 0.445 USER MOD Set 2.2: A 92 TYR OH : rot 180:sc= 0.419 USER MOD Single : A 19 THR OG1 : rot -57:sc= 1.19 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0875 USER MOD Single : A 23 LYS NZ :NH3+ -119:sc= -0.167 (180deg=-1.47!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0216) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.129) USER MOD Single : A 36 THR OG1 : rot -172:sc= -2.11 USER MOD Single : A 40 ASN : amide:sc= -1.05 K(o=-1,f=-0.19) USER MOD Single : A 42 GLN : amide:sc= -2.19 K(o=-2.2,f=-3.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.236 K(o=0.24,f=-1.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -16:sc= 0.715 USER MOD Single : A 54 TYR OH : rot 0:sc= -0.286 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.156 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.818 X(o=-0.82,f=-0.85) USER MOD Single : A 77 ASN : amide:sc= 0.804 K(o=0.8,f=-4.6!) USER MOD Single : A 80 THR OG1 : rot 38:sc=-0.00707 USER MOD Single : A 81 HIS : no HD1:sc= 0.0721 K(o=0.072,f=-3.7!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 84 GLN : amide:sc= -0.561 K(o=-0.56,f=-4.3!) USER MOD Single : A 90 THR OG1 : rot 76:sc= 0.29 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -144:sc= -0.137 (180deg=-0.856) USER MOD Single : A 100 ASN : amide:sc= -8.84! C(o=-8.8!,f=-17!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -165:sc= -0.0116 (180deg=-0.127) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 160:sc= 0.213 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 115 THR OG1 : rot -149:sc= 0.648 USER MOD Single : A 117 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.819) USER MOD ----------------------------------------------------------------- ATOM 178 N LEU A 16 -22.657 -5.433 -3.525 1.00 0.00 N ATOM 179 CA LEU A 16 -21.757 -5.986 -4.531 1.00 0.00 C ATOM 180 C LEU A 16 -20.354 -5.406 -4.385 1.00 0.00 C ATOM 181 O LEU A 16 -20.147 -4.205 -4.559 1.00 0.00 O ATOM 182 CB LEU A 16 -22.295 -5.703 -5.935 1.00 0.00 C ATOM 183 CG LEU A 16 -23.443 -6.597 -6.407 1.00 0.00 C ATOM 184 CD1 LEU A 16 -22.975 -8.036 -6.552 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.617 -6.510 -5.442 1.00 0.00 C ATOM 0 HA LEU A 16 -21.701 -7.064 -4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.630 -4.666 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.472 -5.798 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 16 -23.774 -6.245 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -23.806 -8.657 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -22.167 -8.084 -7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -22.616 -8.401 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.425 -7.152 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -24.299 -6.836 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.969 -5.480 -5.389 1.00 0.00 H new ATOM 197 N VAL A 17 -19.393 -6.267 -4.067 1.00 0.00 N ATOM 198 CA VAL A 17 -18.009 -5.841 -3.901 1.00 0.00 C ATOM 199 C VAL A 17 -17.518 -5.077 -5.125 1.00 0.00 C ATOM 200 O VAL A 17 -18.011 -5.258 -6.239 1.00 0.00 O ATOM 201 CB VAL A 17 -17.078 -7.043 -3.652 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.289 -7.601 -2.253 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.304 -8.118 -4.704 1.00 0.00 C ATOM 0 H VAL A 17 -19.548 -7.264 -3.919 1.00 0.00 H new ATOM 0 HA VAL A 17 -17.982 -5.184 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.045 -6.703 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -16.623 -8.449 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.072 -6.828 -1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.323 -7.927 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.638 -8.960 -4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.339 -8.457 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.097 -7.709 -5.693 1.00 0.00 H new ATOM 213 N PRO A 18 -16.523 -4.202 -4.918 1.00 0.00 N ATOM 214 CA PRO A 18 -15.943 -3.393 -5.993 1.00 0.00 C ATOM 215 C PRO A 18 -15.132 -4.231 -6.976 1.00 0.00 C ATOM 216 O PRO A 18 -13.972 -4.558 -6.722 1.00 0.00 O ATOM 217 CB PRO A 18 -15.033 -2.413 -5.249 1.00 0.00 C ATOM 218 CG PRO A 18 -14.684 -3.110 -3.979 1.00 0.00 C ATOM 219 CD PRO A 18 -15.888 -3.936 -3.616 1.00 0.00 C ATOM 0 HA PRO A 18 -16.710 -2.909 -6.597 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.141 -2.181 -5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.542 -1.469 -5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -13.803 -3.739 -4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.451 -2.393 -3.192 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.605 -4.859 -3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.557 -3.398 -2.945 1.00 0.00 H new ATOM 227 N THR A 19 -15.750 -4.578 -8.102 1.00 0.00 N ATOM 228 CA THR A 19 -15.086 -5.378 -9.123 1.00 0.00 C ATOM 229 C THR A 19 -14.222 -4.508 -10.028 1.00 0.00 C ATOM 230 O THR A 19 -13.903 -4.892 -11.153 1.00 0.00 O ATOM 231 CB THR A 19 -16.106 -6.144 -9.987 1.00 0.00 C ATOM 232 OG1 THR A 19 -15.422 -6.943 -10.958 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.051 -5.182 -10.689 1.00 0.00 C ATOM 0 H THR A 19 -16.710 -4.317 -8.329 1.00 0.00 H new ATOM 0 HA THR A 19 -14.452 -6.095 -8.601 1.00 0.00 H new ATOM 0 HB THR A 19 -16.691 -6.790 -9.333 1.00 0.00 H new ATOM 0 HG1 THR A 19 -14.851 -6.369 -11.510 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.762 -5.746 -11.293 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.591 -4.595 -9.946 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.478 -4.514 -11.332 1.00 0.00 H new ATOM 241 N SER A 20 -13.845 -3.335 -9.529 1.00 0.00 N ATOM 242 CA SER A 20 -13.020 -2.409 -10.295 1.00 0.00 C ATOM 243 C SER A 20 -11.828 -1.933 -9.470 1.00 0.00 C ATOM 244 O SER A 20 -11.951 -1.597 -8.292 1.00 0.00 O ATOM 245 CB SER A 20 -13.851 -1.208 -10.751 1.00 0.00 C ATOM 246 OG SER A 20 -13.292 -0.609 -11.907 1.00 0.00 O ATOM 0 H SER A 20 -14.098 -3.004 -8.598 1.00 0.00 H new ATOM 0 HA SER A 20 -12.646 -2.936 -11.172 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.872 -1.527 -10.961 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.905 -0.474 -9.947 1.00 0.00 H new ATOM 0 HG SER A 20 -13.843 0.155 -12.179 1.00 0.00 H new ATOM 252 N PRO A 21 -10.646 -1.902 -10.102 1.00 0.00 N ATOM 253 CA PRO A 21 -9.408 -1.469 -9.446 1.00 0.00 C ATOM 254 C PRO A 21 -9.401 0.028 -9.154 1.00 0.00 C ATOM 255 O PRO A 21 -10.098 0.814 -9.795 1.00 0.00 O ATOM 256 CB PRO A 21 -8.324 -1.819 -10.468 1.00 0.00 C ATOM 257 CG PRO A 21 -9.026 -1.814 -11.782 1.00 0.00 C ATOM 258 CD PRO A 21 -10.426 -2.288 -11.506 1.00 0.00 C ATOM 0 HA PRO A 21 -9.270 -1.949 -8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.513 -1.091 -10.450 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.883 -2.793 -10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.031 -0.815 -12.218 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.525 -2.470 -12.494 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.149 -1.815 -12.171 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.521 -3.365 -11.646 1.00 0.00 H new ATOM 266 N PRO A 22 -8.594 0.433 -8.162 1.00 0.00 N ATOM 267 CA PRO A 22 -8.476 1.839 -7.763 1.00 0.00 C ATOM 268 C PRO A 22 -7.768 2.684 -8.817 1.00 0.00 C ATOM 269 O PRO A 22 -7.054 2.158 -9.671 1.00 0.00 O ATOM 270 CB PRO A 22 -7.642 1.774 -6.481 1.00 0.00 C ATOM 271 CG PRO A 22 -6.858 0.514 -6.602 1.00 0.00 C ATOM 272 CD PRO A 22 -7.734 -0.448 -7.355 1.00 0.00 C ATOM 0 HA PRO A 22 -9.451 2.309 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.987 2.641 -6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.278 1.761 -5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.922 0.686 -7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.600 0.119 -5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.147 -1.120 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.319 -1.072 -6.679 1.00 0.00 H new ATOM 280 N LYS A 23 -7.969 3.995 -8.750 1.00 0.00 N ATOM 281 CA LYS A 23 -7.349 4.914 -9.697 1.00 0.00 C ATOM 282 C LYS A 23 -6.395 5.867 -8.985 1.00 0.00 C ATOM 283 O LYS A 23 -6.182 5.760 -7.777 1.00 0.00 O ATOM 284 CB LYS A 23 -8.422 5.711 -10.443 1.00 0.00 C ATOM 285 CG LYS A 23 -9.668 4.904 -10.761 1.00 0.00 C ATOM 286 CD LYS A 23 -10.682 5.727 -11.538 1.00 0.00 C ATOM 287 CE LYS A 23 -10.340 5.780 -13.019 1.00 0.00 C ATOM 288 NZ LYS A 23 -9.459 6.935 -13.344 1.00 0.00 N ATOM 0 H LYS A 23 -8.557 4.446 -8.049 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.778 4.326 -10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.703 6.576 -9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.999 6.092 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.394 4.022 -11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.119 4.549 -9.834 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.676 5.299 -11.408 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.716 6.739 -11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.846 4.853 -13.311 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.259 5.849 -13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.943 7.561 -14.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.244 7.463 -12.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.574 6.589 -13.766 1.00 0.00 H new ATOM 302 N ASP A 24 -5.825 6.800 -9.740 1.00 0.00 N ATOM 303 CA ASP A 24 -4.895 7.774 -9.180 1.00 0.00 C ATOM 304 C ASP A 24 -3.734 7.077 -8.479 1.00 0.00 C ATOM 305 O ASP A 24 -3.174 7.598 -7.515 1.00 0.00 O ATOM 306 CB ASP A 24 -5.620 8.697 -8.199 1.00 0.00 C ATOM 307 CG ASP A 24 -4.918 10.031 -8.033 1.00 0.00 C ATOM 308 OD1 ASP A 24 -4.515 10.621 -9.057 1.00 0.00 O ATOM 309 OD2 ASP A 24 -4.772 10.484 -6.878 1.00 0.00 O ATOM 0 H ASP A 24 -5.991 6.902 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.495 8.370 -10.000 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.638 8.867 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.694 8.205 -7.229 1.00 0.00 H new ATOM 314 N VAL A 25 -3.378 5.893 -8.969 1.00 0.00 N ATOM 315 CA VAL A 25 -2.284 5.124 -8.389 1.00 0.00 C ATOM 316 C VAL A 25 -0.946 5.823 -8.603 1.00 0.00 C ATOM 317 O VAL A 25 -0.414 5.842 -9.714 1.00 0.00 O ATOM 318 CB VAL A 25 -2.213 3.708 -8.991 1.00 0.00 C ATOM 319 CG1 VAL A 25 -0.974 2.978 -8.494 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.473 2.924 -8.658 1.00 0.00 C ATOM 0 H VAL A 25 -3.832 5.446 -9.766 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.483 5.047 -7.320 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.143 3.796 -10.075 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.941 1.979 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.083 3.532 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.010 2.899 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.406 1.926 -9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.576 2.844 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.341 3.440 -9.068 1.00 0.00 H new ATOM 330 N THR A 26 -0.406 6.397 -7.533 1.00 0.00 N ATOM 331 CA THR A 26 0.869 7.098 -7.603 1.00 0.00 C ATOM 332 C THR A 26 1.791 6.678 -6.464 1.00 0.00 C ATOM 333 O THR A 26 1.335 6.382 -5.360 1.00 0.00 O ATOM 334 CB THR A 26 0.674 8.625 -7.554 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.229 8.970 -6.498 1.00 0.00 O ATOM 336 CG2 THR A 26 0.135 9.145 -8.879 1.00 0.00 C ATOM 0 H THR A 26 -0.833 6.390 -6.607 1.00 0.00 H new ATOM 0 HA THR A 26 1.326 6.828 -8.555 1.00 0.00 H new ATOM 0 HB THR A 26 1.644 9.087 -7.368 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.346 9.943 -6.473 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.005 10.226 -8.820 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.839 8.907 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.826 8.675 -9.090 1.00 0.00 H new ATOM 344 N VAL A 27 3.092 6.655 -6.739 1.00 0.00 N ATOM 345 CA VAL A 27 4.078 6.273 -5.736 1.00 0.00 C ATOM 346 C VAL A 27 5.236 7.265 -5.699 1.00 0.00 C ATOM 347 O VAL A 27 6.080 7.284 -6.595 1.00 0.00 O ATOM 348 CB VAL A 27 4.634 4.862 -6.004 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.658 4.481 -4.947 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.503 3.845 -6.053 1.00 0.00 C ATOM 0 H VAL A 27 3.487 6.896 -7.648 1.00 0.00 H new ATOM 0 HA VAL A 27 3.568 6.277 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 27 5.133 4.865 -6.973 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.039 3.481 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.482 5.194 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.188 4.494 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.913 2.853 -6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.975 3.842 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.810 4.110 -6.851 1.00 0.00 H new ATOM 360 N VAL A 28 5.270 8.087 -4.656 1.00 0.00 N ATOM 361 CA VAL A 28 6.326 9.081 -4.500 1.00 0.00 C ATOM 362 C VAL A 28 7.218 8.753 -3.308 1.00 0.00 C ATOM 363 O VAL A 28 6.867 7.927 -2.466 1.00 0.00 O ATOM 364 CB VAL A 28 5.743 10.495 -4.316 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.912 10.892 -5.527 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.913 10.568 -3.044 1.00 0.00 C ATOM 0 H VAL A 28 4.579 8.085 -3.906 1.00 0.00 H new ATOM 0 HA VAL A 28 6.921 9.057 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 28 6.569 11.200 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.508 11.894 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.540 10.882 -6.418 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.092 10.185 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.509 11.574 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.093 9.852 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.541 10.330 -2.186 1.00 0.00 H new ATOM 376 N SER A 29 8.374 9.406 -3.244 1.00 0.00 N ATOM 377 CA SER A 29 9.320 9.181 -2.157 1.00 0.00 C ATOM 378 C SER A 29 9.120 10.204 -1.043 1.00 0.00 C ATOM 379 O SER A 29 8.647 11.316 -1.281 1.00 0.00 O ATOM 380 CB SER A 29 10.756 9.253 -2.679 1.00 0.00 C ATOM 381 OG SER A 29 11.117 10.587 -2.995 1.00 0.00 O ATOM 0 H SER A 29 8.678 10.095 -3.932 1.00 0.00 H new ATOM 0 HA SER A 29 9.138 8.186 -1.750 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.440 8.856 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.856 8.626 -3.565 1.00 0.00 H new ATOM 0 HG SER A 29 12.040 10.607 -3.325 1.00 0.00 H new ATOM 387 N LYS A 30 9.483 9.820 0.176 1.00 0.00 N ATOM 388 CA LYS A 30 9.346 10.702 1.329 1.00 0.00 C ATOM 389 C LYS A 30 10.402 11.802 1.302 1.00 0.00 C ATOM 390 O LYS A 30 11.526 11.584 0.852 1.00 0.00 O ATOM 391 CB LYS A 30 9.463 9.900 2.627 1.00 0.00 C ATOM 392 CG LYS A 30 9.471 10.763 3.877 1.00 0.00 C ATOM 393 CD LYS A 30 8.066 10.979 4.415 1.00 0.00 C ATOM 394 CE LYS A 30 8.057 11.969 5.569 1.00 0.00 C ATOM 395 NZ LYS A 30 8.169 13.376 5.094 1.00 0.00 N ATOM 0 H LYS A 30 9.875 8.903 0.391 1.00 0.00 H new ATOM 0 HA LYS A 30 8.361 11.167 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.632 9.197 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.378 9.309 2.598 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.086 10.290 4.643 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.927 11.727 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.421 11.345 3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.652 10.027 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.137 11.851 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.883 11.747 6.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.159 14.020 5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.059 13.496 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.367 13.597 4.470 1.00 0.00 H new ATOM 409 N GLU A 31 10.032 12.984 1.786 1.00 0.00 N ATOM 410 CA GLU A 31 10.949 14.117 1.817 1.00 0.00 C ATOM 411 C GLU A 31 11.860 14.047 3.038 1.00 0.00 C ATOM 412 O GLU A 31 11.431 14.304 4.162 1.00 0.00 O ATOM 413 CB GLU A 31 10.168 15.433 1.824 1.00 0.00 C ATOM 414 CG GLU A 31 11.044 16.661 1.639 1.00 0.00 C ATOM 415 CD GLU A 31 10.483 17.887 2.333 1.00 0.00 C ATOM 416 OE1 GLU A 31 9.821 17.727 3.380 1.00 0.00 O ATOM 417 OE2 GLU A 31 10.706 19.008 1.828 1.00 0.00 O ATOM 0 H GLU A 31 9.104 13.181 2.162 1.00 0.00 H new ATOM 0 HA GLU A 31 11.568 14.075 0.921 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.421 15.407 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.628 15.521 2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.041 16.453 2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.153 16.868 0.574 1.00 0.00 H new ATOM 424 N GLY A 32 13.122 13.695 2.809 1.00 0.00 N ATOM 425 CA GLY A 32 14.074 13.596 3.899 1.00 0.00 C ATOM 426 C GLY A 32 14.488 12.164 4.180 1.00 0.00 C ATOM 427 O GLY A 32 15.664 11.884 4.414 1.00 0.00 O ATOM 0 H GLY A 32 13.501 13.477 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.959 14.186 3.659 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.637 14.028 4.799 1.00 0.00 H new ATOM 431 N LYS A 33 13.519 11.255 4.158 1.00 0.00 N ATOM 432 CA LYS A 33 13.787 9.845 4.412 1.00 0.00 C ATOM 433 C LYS A 33 13.649 9.026 3.132 1.00 0.00 C ATOM 434 O LYS A 33 12.555 8.843 2.599 1.00 0.00 O ATOM 435 CB LYS A 33 12.832 9.307 5.480 1.00 0.00 C ATOM 436 CG LYS A 33 13.075 7.851 5.836 1.00 0.00 C ATOM 437 CD LYS A 33 14.429 7.657 6.497 1.00 0.00 C ATOM 438 CE LYS A 33 14.420 6.471 7.449 1.00 0.00 C ATOM 439 NZ LYS A 33 13.722 6.789 8.725 1.00 0.00 N ATOM 0 H LYS A 33 12.540 11.470 3.967 1.00 0.00 H new ATOM 0 HA LYS A 33 14.812 9.755 4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.929 9.913 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.806 9.420 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.289 7.503 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.018 7.241 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.190 7.505 5.732 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.702 8.561 7.042 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.931 5.624 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 33 15.445 6.168 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.882 6.022 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.094 7.680 9.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.702 6.887 8.548 1.00 0.00 H new ATOM 453 N PRO A 34 14.784 8.518 2.628 1.00 0.00 N ATOM 454 CA PRO A 34 14.814 7.709 1.406 1.00 0.00 C ATOM 455 C PRO A 34 14.174 6.339 1.603 1.00 0.00 C ATOM 456 O PRO A 34 13.565 5.789 0.684 1.00 0.00 O ATOM 457 CB PRO A 34 16.310 7.563 1.115 1.00 0.00 C ATOM 458 CG PRO A 34 16.971 7.722 2.440 1.00 0.00 C ATOM 459 CD PRO A 34 16.124 8.696 3.212 1.00 0.00 C ATOM 0 HA PRO A 34 14.251 8.172 0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.535 6.592 0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.652 8.320 0.409 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.038 6.766 2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.989 8.095 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 34 16.130 8.476 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.481 9.719 3.096 1.00 0.00 H new ATOM 467 N LYS A 35 14.313 5.792 2.806 1.00 0.00 N ATOM 468 CA LYS A 35 13.747 4.487 3.124 1.00 0.00 C ATOM 469 C LYS A 35 12.232 4.574 3.276 1.00 0.00 C ATOM 470 O LYS A 35 11.545 3.554 3.354 1.00 0.00 O ATOM 471 CB LYS A 35 14.369 3.938 4.410 1.00 0.00 C ATOM 472 CG LYS A 35 15.667 3.184 4.185 1.00 0.00 C ATOM 473 CD LYS A 35 16.121 2.465 5.444 1.00 0.00 C ATOM 474 CE LYS A 35 17.635 2.336 5.498 1.00 0.00 C ATOM 475 NZ LYS A 35 18.188 1.754 4.244 1.00 0.00 N ATOM 0 H LYS A 35 14.814 6.233 3.577 1.00 0.00 H new ATOM 0 HA LYS A 35 13.974 3.810 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.553 4.765 5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.653 3.275 4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.534 2.461 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.442 3.880 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.770 3.009 6.321 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.669 1.474 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.077 3.318 5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 35 17.916 1.709 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.179 1.479 4.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.633 0.916 3.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.138 2.460 3.482 1.00 0.00 H new ATOM 489 N THR A 36 11.715 5.798 3.317 1.00 0.00 N ATOM 490 CA THR A 36 10.281 6.018 3.459 1.00 0.00 C ATOM 491 C THR A 36 9.684 6.597 2.181 1.00 0.00 C ATOM 492 O THR A 36 10.314 7.410 1.504 1.00 0.00 O ATOM 493 CB THR A 36 9.972 6.966 4.633 1.00 0.00 C ATOM 494 OG1 THR A 36 10.452 6.402 5.858 1.00 0.00 O ATOM 495 CG2 THR A 36 8.477 7.226 4.739 1.00 0.00 C ATOM 0 H THR A 36 12.268 6.653 3.254 1.00 0.00 H new ATOM 0 HA THR A 36 9.830 5.046 3.659 1.00 0.00 H new ATOM 0 HB THR A 36 10.477 7.914 4.448 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.143 6.946 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.283 7.898 5.575 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.121 7.683 3.816 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.954 6.283 4.902 1.00 0.00 H new ATOM 503 N ILE A 37 8.467 6.174 1.858 1.00 0.00 N ATOM 504 CA ILE A 37 7.785 6.653 0.662 1.00 0.00 C ATOM 505 C ILE A 37 6.293 6.836 0.916 1.00 0.00 C ATOM 506 O ILE A 37 5.747 6.302 1.883 1.00 0.00 O ATOM 507 CB ILE A 37 7.978 5.687 -0.522 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.353 4.327 -0.205 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.457 5.534 -0.844 1.00 0.00 C ATOM 510 CD1 ILE A 37 7.048 3.501 -1.436 1.00 0.00 C ATOM 0 H ILE A 37 7.933 5.501 2.407 1.00 0.00 H new ATOM 0 HA ILE A 37 8.229 7.616 0.410 1.00 0.00 H new ATOM 0 HB ILE A 37 7.476 6.102 -1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.030 3.767 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.432 4.481 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.578 4.848 -1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.875 6.506 -1.107 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.980 5.138 0.027 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.607 2.550 -1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.347 4.041 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.970 3.316 -1.987 1.00 0.00 H new ATOM 522 N ILE A 38 5.637 7.591 0.041 1.00 0.00 N ATOM 523 CA ILE A 38 4.207 7.841 0.169 1.00 0.00 C ATOM 524 C ILE A 38 3.455 7.382 -1.076 1.00 0.00 C ATOM 525 O ILE A 38 3.910 7.589 -2.201 1.00 0.00 O ATOM 526 CB ILE A 38 3.916 9.334 0.410 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.606 9.811 1.689 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.416 9.575 0.489 1.00 0.00 C ATOM 529 CD1 ILE A 38 6.011 10.322 1.463 1.00 0.00 C ATOM 0 H ILE A 38 6.073 8.040 -0.764 1.00 0.00 H new ATOM 0 HA ILE A 38 3.862 7.269 1.030 1.00 0.00 H new ATOM 0 HB ILE A 38 4.313 9.906 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.008 10.603 2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.638 8.988 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.226 10.635 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.948 9.269 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.997 8.994 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.439 10.643 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.624 9.526 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.985 11.166 0.773 1.00 0.00 H new ATOM 541 N VAL A 39 2.300 6.758 -0.867 1.00 0.00 N ATOM 542 CA VAL A 39 1.482 6.272 -1.972 1.00 0.00 C ATOM 543 C VAL A 39 0.052 6.791 -1.867 1.00 0.00 C ATOM 544 O VAL A 39 -0.594 6.652 -0.830 1.00 0.00 O ATOM 545 CB VAL A 39 1.456 4.733 -2.016 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.560 4.246 -3.144 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.866 4.181 -2.168 1.00 0.00 C ATOM 0 H VAL A 39 1.910 6.577 0.058 1.00 0.00 H new ATOM 0 HA VAL A 39 1.935 6.647 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 39 1.046 4.367 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.554 3.156 -3.159 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.455 4.612 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.937 4.620 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.829 3.092 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.305 4.554 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.475 4.501 -1.322 1.00 0.00 H new ATOM 557 N ASN A 40 -0.435 7.388 -2.949 1.00 0.00 N ATOM 558 CA ASN A 40 -1.790 7.928 -2.980 1.00 0.00 C ATOM 559 C ASN A 40 -2.640 7.206 -4.021 1.00 0.00 C ATOM 560 O ASN A 40 -2.119 6.478 -4.866 1.00 0.00 O ATOM 561 CB ASN A 40 -1.757 9.427 -3.282 1.00 0.00 C ATOM 562 CG ASN A 40 -0.715 10.160 -2.458 1.00 0.00 C ATOM 563 OD1 ASN A 40 -1.047 10.893 -1.527 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.553 9.965 -2.800 1.00 0.00 N ATOM 0 H ASN A 40 0.088 7.510 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.239 7.772 -1.999 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.550 9.577 -4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.739 9.856 -3.086 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.298 10.432 -2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.782 9.348 -3.579 1.00 0.00 H new ATOM 571 N TRP A 41 -3.950 7.415 -3.955 1.00 0.00 N ATOM 572 CA TRP A 41 -4.872 6.785 -4.893 1.00 0.00 C ATOM 573 C TRP A 41 -6.289 7.315 -4.702 1.00 0.00 C ATOM 574 O TRP A 41 -6.536 8.149 -3.831 1.00 0.00 O ATOM 575 CB TRP A 41 -4.854 5.266 -4.715 1.00 0.00 C ATOM 576 CG TRP A 41 -5.338 4.820 -3.368 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.622 4.510 -3.020 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.545 4.636 -2.191 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.675 4.144 -1.697 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.414 4.213 -1.166 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.186 4.785 -1.902 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -4.966 3.939 0.124 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.743 4.514 -0.622 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.630 4.094 0.378 1.00 0.00 C ATOM 0 H TRP A 41 -4.397 8.015 -3.262 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.546 7.029 -5.904 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.475 4.810 -5.486 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.838 4.902 -4.867 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.471 4.547 -3.687 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.517 3.866 -1.192 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.494 5.107 -2.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.648 3.616 0.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.695 4.628 -0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.252 3.889 1.369 1.00 0.00 H new ATOM 595 N GLN A 42 -7.215 6.825 -5.520 1.00 0.00 N ATOM 596 CA GLN A 42 -8.607 7.252 -5.440 1.00 0.00 C ATOM 597 C GLN A 42 -9.550 6.068 -5.625 1.00 0.00 C ATOM 598 O GLN A 42 -9.202 5.054 -6.232 1.00 0.00 O ATOM 599 CB GLN A 42 -8.897 8.320 -6.495 1.00 0.00 C ATOM 600 CG GLN A 42 -8.264 9.667 -6.187 1.00 0.00 C ATOM 601 CD GLN A 42 -8.787 10.278 -4.902 1.00 0.00 C ATOM 602 OE1 GLN A 42 -8.018 10.589 -3.991 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.100 10.452 -4.820 1.00 0.00 N ATOM 0 H GLN A 42 -7.027 6.133 -6.245 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.774 7.676 -4.450 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.536 7.971 -7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.976 8.447 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.183 9.548 -6.114 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.455 10.351 -7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.700 10.180 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.509 10.858 -3.978 1.00 0.00 H new ATOM 612 N PRO A 43 -10.773 6.196 -5.090 1.00 0.00 N ATOM 613 CA PRO A 43 -11.792 5.146 -5.183 1.00 0.00 C ATOM 614 C PRO A 43 -12.324 4.978 -6.603 1.00 0.00 C ATOM 615 O PRO A 43 -12.406 5.932 -7.377 1.00 0.00 O ATOM 616 CB PRO A 43 -12.901 5.643 -4.252 1.00 0.00 C ATOM 617 CG PRO A 43 -12.733 7.123 -4.220 1.00 0.00 C ATOM 618 CD PRO A 43 -11.256 7.375 -4.353 1.00 0.00 C ATOM 0 HA PRO A 43 -11.395 4.168 -4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.886 5.364 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.804 5.212 -3.256 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.284 7.596 -5.033 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.118 7.539 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.053 8.299 -4.895 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.775 7.465 -3.379 1.00 0.00 H new ATOM 626 N PRO A 44 -12.693 3.738 -6.955 1.00 0.00 N ATOM 627 CA PRO A 44 -13.224 3.417 -8.283 1.00 0.00 C ATOM 628 C PRO A 44 -14.615 4.001 -8.508 1.00 0.00 C ATOM 629 O PRO A 44 -15.543 3.730 -7.745 1.00 0.00 O ATOM 630 CB PRO A 44 -13.280 1.887 -8.282 1.00 0.00 C ATOM 631 CG PRO A 44 -13.395 1.513 -6.845 1.00 0.00 C ATOM 632 CD PRO A 44 -12.622 2.553 -6.083 1.00 0.00 C ATOM 0 HA PRO A 44 -12.609 3.834 -9.080 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.132 1.522 -8.855 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.385 1.458 -8.732 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.438 1.493 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.989 0.517 -6.667 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.064 2.746 -5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.592 2.242 -5.911 1.00 0.00 H new ATOM 640 N SER A 45 -14.752 4.802 -9.559 1.00 0.00 N ATOM 641 CA SER A 45 -16.030 5.427 -9.882 1.00 0.00 C ATOM 642 C SER A 45 -17.183 4.454 -9.656 1.00 0.00 C ATOM 643 O SER A 45 -18.280 4.855 -9.270 1.00 0.00 O ATOM 644 CB SER A 45 -16.032 5.911 -11.333 1.00 0.00 C ATOM 645 OG SER A 45 -15.560 7.243 -11.428 1.00 0.00 O ATOM 0 H SER A 45 -13.995 5.034 -10.202 1.00 0.00 H new ATOM 0 HA SER A 45 -16.166 6.283 -9.221 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.406 5.256 -11.939 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.042 5.850 -11.738 1.00 0.00 H new ATOM 0 HG SER A 45 -15.570 7.527 -12.366 1.00 0.00 H new ATOM 651 N GLU A 46 -16.924 3.173 -9.901 1.00 0.00 N ATOM 652 CA GLU A 46 -17.941 2.142 -9.725 1.00 0.00 C ATOM 653 C GLU A 46 -18.423 2.095 -8.278 1.00 0.00 C ATOM 654 O GLU A 46 -19.611 2.262 -8.003 1.00 0.00 O ATOM 655 CB GLU A 46 -17.389 0.775 -10.135 1.00 0.00 C ATOM 656 CG GLU A 46 -17.368 0.553 -11.638 1.00 0.00 C ATOM 657 CD GLU A 46 -18.701 0.861 -12.291 1.00 0.00 C ATOM 658 OE1 GLU A 46 -19.745 0.638 -11.643 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.701 1.324 -13.451 1.00 0.00 O ATOM 0 H GLU A 46 -16.020 2.825 -10.221 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.788 2.390 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.376 0.670 -9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.991 -0.005 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.596 1.180 -12.083 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.097 -0.482 -11.845 1.00 0.00 H new ATOM 666 N ALA A 47 -17.493 1.866 -7.357 1.00 0.00 N ATOM 667 CA ALA A 47 -17.822 1.798 -5.939 1.00 0.00 C ATOM 668 C ALA A 47 -19.164 1.108 -5.719 1.00 0.00 C ATOM 669 O ALA A 47 -20.038 1.634 -5.033 1.00 0.00 O ATOM 670 CB ALA A 47 -17.839 3.194 -5.334 1.00 0.00 C ATOM 0 H ALA A 47 -16.505 1.724 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.053 1.207 -5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.086 3.128 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.857 3.653 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.586 3.802 -5.844 1.00 0.00 H new ATOM 676 N ASN A 48 -19.320 -0.074 -6.308 1.00 0.00 N ATOM 677 CA ASN A 48 -20.556 -0.836 -6.177 1.00 0.00 C ATOM 678 C ASN A 48 -21.147 -0.678 -4.779 1.00 0.00 C ATOM 679 O ASN A 48 -22.362 -0.742 -4.597 1.00 0.00 O ATOM 680 CB ASN A 48 -20.302 -2.315 -6.471 1.00 0.00 C ATOM 681 CG ASN A 48 -20.086 -2.583 -7.948 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.495 -1.793 -8.799 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.442 -3.701 -8.259 1.00 0.00 N ATOM 0 H ASN A 48 -18.606 -0.524 -6.880 1.00 0.00 H new ATOM 0 HA ASN A 48 -21.272 -0.447 -6.901 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -19.427 -2.648 -5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -21.149 -2.903 -6.118 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.268 -3.934 -9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.121 -4.327 -7.520 1.00 0.00 H new ATOM 690 N GLY A 49 -20.278 -0.470 -3.795 1.00 0.00 N ATOM 691 CA GLY A 49 -20.732 -0.306 -2.426 1.00 0.00 C ATOM 692 C GLY A 49 -19.866 0.658 -1.640 1.00 0.00 C ATOM 693 O GLY A 49 -18.771 1.016 -2.073 1.00 0.00 O ATOM 0 H GLY A 49 -19.267 -0.412 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.761 0.054 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -20.734 -1.276 -1.929 1.00 0.00 H new ATOM 697 N LYS A 50 -20.358 1.082 -0.481 1.00 0.00 N ATOM 698 CA LYS A 50 -19.623 2.012 0.369 1.00 0.00 C ATOM 699 C LYS A 50 -18.232 1.473 0.688 1.00 0.00 C ATOM 700 O LYS A 50 -18.085 0.526 1.460 1.00 0.00 O ATOM 701 CB LYS A 50 -20.393 2.266 1.667 1.00 0.00 C ATOM 702 CG LYS A 50 -20.053 3.592 2.325 1.00 0.00 C ATOM 703 CD LYS A 50 -21.012 3.913 3.460 1.00 0.00 C ATOM 704 CE LYS A 50 -20.942 5.381 3.850 1.00 0.00 C ATOM 705 NZ LYS A 50 -22.188 5.835 4.529 1.00 0.00 N ATOM 0 H LYS A 50 -21.263 0.796 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.515 2.952 -0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.462 2.237 1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.184 1.458 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.033 3.558 2.708 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.088 4.388 1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -22.030 3.663 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.774 3.294 4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.090 5.541 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.773 5.986 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.101 6.841 4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.998 5.706 3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.336 5.275 5.393 1.00 0.00 H new ATOM 719 N ILE A 51 -17.215 2.084 0.090 1.00 0.00 N ATOM 720 CA ILE A 51 -15.836 1.667 0.313 1.00 0.00 C ATOM 721 C ILE A 51 -15.437 1.847 1.773 1.00 0.00 C ATOM 722 O ILE A 51 -15.320 2.970 2.264 1.00 0.00 O ATOM 723 CB ILE A 51 -14.858 2.459 -0.576 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.259 2.336 -2.048 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.434 1.965 -0.366 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.089 0.941 -2.606 1.00 0.00 C ATOM 0 H ILE A 51 -17.320 2.869 -0.552 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.779 0.611 0.051 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.903 3.511 -0.294 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.300 2.639 -2.159 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.661 3.030 -2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.754 2.534 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.153 2.099 0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.374 0.908 -0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.392 0.928 -3.653 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.044 0.643 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.709 0.245 -2.041 1.00 0.00 H new ATOM 738 N THR A 52 -15.226 0.731 2.465 1.00 0.00 N ATOM 739 CA THR A 52 -14.839 0.764 3.870 1.00 0.00 C ATOM 740 C THR A 52 -13.404 1.252 4.033 1.00 0.00 C ATOM 741 O THR A 52 -13.095 2.003 4.957 1.00 0.00 O ATOM 742 CB THR A 52 -14.975 -0.624 4.523 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.236 -1.594 3.771 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.435 -1.044 4.603 1.00 0.00 C ATOM 0 H THR A 52 -15.317 -0.207 2.075 1.00 0.00 H new ATOM 0 HA THR A 52 -15.515 1.459 4.368 1.00 0.00 H new ATOM 0 HB THR A 52 -14.574 -0.566 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.026 -1.231 2.885 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.506 -2.027 5.068 1.00 0.00 H new ATOM 0 HG22 THR A 52 -16.990 -0.320 5.200 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.857 -1.086 3.599 1.00 0.00 H new ATOM 752 N GLY A 53 -12.530 0.819 3.129 1.00 0.00 N ATOM 753 CA GLY A 53 -11.138 1.222 3.191 1.00 0.00 C ATOM 754 C GLY A 53 -10.331 0.704 2.017 1.00 0.00 C ATOM 755 O GLY A 53 -10.883 0.413 0.956 1.00 0.00 O ATOM 0 H GLY A 53 -12.762 0.196 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.079 2.310 3.217 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.698 0.857 4.119 1.00 0.00 H new ATOM 759 N TYR A 54 -9.021 0.590 2.206 1.00 0.00 N ATOM 760 CA TYR A 54 -8.136 0.107 1.153 1.00 0.00 C ATOM 761 C TYR A 54 -6.895 -0.553 1.744 1.00 0.00 C ATOM 762 O TYR A 54 -6.427 -0.171 2.817 1.00 0.00 O ATOM 763 CB TYR A 54 -7.726 1.260 0.234 1.00 0.00 C ATOM 764 CG TYR A 54 -8.803 2.306 0.058 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.121 3.185 1.086 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.503 2.416 -1.138 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.105 4.142 0.929 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.487 3.371 -1.304 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.785 4.231 -0.268 1.00 0.00 C ATOM 770 OH TYR A 54 -11.765 5.184 -0.428 1.00 0.00 O ATOM 0 H TYR A 54 -8.549 0.826 3.079 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.679 -0.638 0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.832 1.735 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.459 0.857 -0.743 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.590 3.119 2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.274 1.743 -1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.341 4.817 1.739 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.020 3.444 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.850 5.708 0.396 1.00 0.00 H new ATOM 780 N ILE A 55 -6.366 -1.545 1.036 1.00 0.00 N ATOM 781 CA ILE A 55 -5.178 -2.258 1.488 1.00 0.00 C ATOM 782 C ILE A 55 -4.070 -2.201 0.442 1.00 0.00 C ATOM 783 O ILE A 55 -4.337 -2.224 -0.760 1.00 0.00 O ATOM 784 CB ILE A 55 -5.493 -3.732 1.807 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.203 -3.844 3.157 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.216 -4.559 1.803 1.00 0.00 C ATOM 787 CD1 ILE A 55 -6.998 -5.121 3.318 1.00 0.00 C ATOM 0 H ILE A 55 -6.742 -1.873 0.146 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.840 -1.762 2.398 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.157 -4.122 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.462 -3.784 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.872 -2.992 3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.455 -5.598 2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.748 -4.501 0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.529 -4.172 2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.474 -5.132 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.762 -5.174 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.331 -5.978 3.229 1.00 0.00 H new ATOM 799 N ILE A 56 -2.828 -2.128 0.907 1.00 0.00 N ATOM 800 CA ILE A 56 -1.680 -2.071 0.011 1.00 0.00 C ATOM 801 C ILE A 56 -0.795 -3.303 0.171 1.00 0.00 C ATOM 802 O ILE A 56 -0.386 -3.646 1.281 1.00 0.00 O ATOM 803 CB ILE A 56 -0.833 -0.809 0.261 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.639 0.447 -0.075 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.447 -0.859 -0.560 1.00 0.00 C ATOM 806 CD1 ILE A 56 -0.939 1.733 0.304 1.00 0.00 C ATOM 0 H ILE A 56 -2.591 -2.107 1.899 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.074 -2.039 -1.005 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.563 -0.773 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.849 0.459 -1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.600 0.401 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.035 0.040 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.027 -1.738 -0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.198 -0.915 -1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.568 2.582 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.753 1.743 1.378 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.009 1.802 -0.229 1.00 0.00 H new ATOM 818 N TYR A 57 -0.504 -3.964 -0.943 1.00 0.00 N ATOM 819 CA TYR A 57 0.332 -5.159 -0.927 1.00 0.00 C ATOM 820 C TYR A 57 1.698 -4.877 -1.545 1.00 0.00 C ATOM 821 O TYR A 57 1.795 -4.437 -2.691 1.00 0.00 O ATOM 822 CB TYR A 57 -0.356 -6.298 -1.682 1.00 0.00 C ATOM 823 CG TYR A 57 -1.755 -6.592 -1.190 1.00 0.00 C ATOM 824 CD1 TYR A 57 -1.970 -7.441 -0.112 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.862 -6.019 -1.804 1.00 0.00 C ATOM 826 CE1 TYR A 57 -3.247 -7.713 0.339 1.00 0.00 C ATOM 827 CE2 TYR A 57 -4.143 -6.283 -1.358 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.330 -7.131 -0.287 1.00 0.00 C ATOM 829 OH TYR A 57 -5.604 -7.398 0.161 1.00 0.00 O ATOM 0 H TYR A 57 -0.834 -3.693 -1.869 1.00 0.00 H new ATOM 0 HA TYR A 57 0.478 -5.456 0.112 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.398 -6.047 -2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.249 -7.200 -1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.124 -7.896 0.382 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.719 -5.356 -2.644 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.397 -8.378 1.177 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.993 -5.828 -1.845 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.581 -7.581 1.124 1.00 0.00 H new ATOM 839 N TYR A 58 2.751 -5.133 -0.777 1.00 0.00 N ATOM 840 CA TYR A 58 4.113 -4.905 -1.246 1.00 0.00 C ATOM 841 C TYR A 58 5.061 -5.972 -0.706 1.00 0.00 C ATOM 842 O TYR A 58 4.946 -6.395 0.444 1.00 0.00 O ATOM 843 CB TYR A 58 4.595 -3.517 -0.823 1.00 0.00 C ATOM 844 CG TYR A 58 5.072 -3.452 0.611 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.220 -4.123 1.013 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.374 -2.719 1.563 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.658 -4.068 2.322 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.806 -2.657 2.874 1.00 0.00 C ATOM 849 CZ TYR A 58 5.948 -3.333 3.248 1.00 0.00 C ATOM 850 OH TYR A 58 6.383 -3.274 4.553 1.00 0.00 O ATOM 0 H TYR A 58 2.688 -5.499 0.173 1.00 0.00 H new ATOM 0 HA TYR A 58 4.110 -4.965 -2.334 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.407 -3.207 -1.481 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.783 -2.802 -0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.780 -4.698 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.479 -2.189 1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.551 -4.598 2.618 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.252 -2.082 3.602 1.00 0.00 H new ATOM 0 HH TYR A 58 5.772 -2.714 5.076 1.00 0.00 H new ATOM 860 N SER A 59 5.998 -6.401 -1.545 1.00 0.00 N ATOM 861 CA SER A 59 6.965 -7.420 -1.154 1.00 0.00 C ATOM 862 C SER A 59 8.270 -7.256 -1.928 1.00 0.00 C ATOM 863 O SER A 59 8.430 -6.316 -2.707 1.00 0.00 O ATOM 864 CB SER A 59 6.389 -8.818 -1.394 1.00 0.00 C ATOM 865 OG SER A 59 7.277 -9.821 -0.932 1.00 0.00 O ATOM 0 H SER A 59 6.108 -6.059 -2.500 1.00 0.00 H new ATOM 0 HA SER A 59 7.175 -7.298 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.431 -8.913 -0.883 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.198 -8.959 -2.458 1.00 0.00 H new ATOM 0 HG SER A 59 6.886 -10.705 -1.095 1.00 0.00 H new ATOM 871 N THR A 60 9.201 -8.178 -1.707 1.00 0.00 N ATOM 872 CA THR A 60 10.493 -8.136 -2.380 1.00 0.00 C ATOM 873 C THR A 60 10.502 -9.039 -3.608 1.00 0.00 C ATOM 874 O THR A 60 11.551 -9.537 -4.017 1.00 0.00 O ATOM 875 CB THR A 60 11.633 -8.562 -1.436 1.00 0.00 C ATOM 876 OG1 THR A 60 11.235 -9.706 -0.671 1.00 0.00 O ATOM 877 CG2 THR A 60 12.012 -7.426 -0.498 1.00 0.00 C ATOM 0 H THR A 60 9.084 -8.963 -1.067 1.00 0.00 H new ATOM 0 HA THR A 60 10.655 -7.103 -2.689 1.00 0.00 H new ATOM 0 HB THR A 60 12.502 -8.816 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.966 -9.971 -0.075 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.819 -7.751 0.159 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.343 -6.567 -1.082 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.146 -7.145 0.102 1.00 0.00 H new ATOM 885 N ASP A 61 9.327 -9.246 -4.193 1.00 0.00 N ATOM 886 CA ASP A 61 9.201 -10.088 -5.377 1.00 0.00 C ATOM 887 C ASP A 61 7.860 -9.857 -6.067 1.00 0.00 C ATOM 888 O ASP A 61 6.880 -9.471 -5.430 1.00 0.00 O ATOM 889 CB ASP A 61 9.345 -11.563 -4.998 1.00 0.00 C ATOM 890 CG ASP A 61 9.615 -12.446 -6.200 1.00 0.00 C ATOM 891 OD1 ASP A 61 9.434 -11.968 -7.340 1.00 0.00 O ATOM 892 OD2 ASP A 61 10.006 -13.615 -6.002 1.00 0.00 O ATOM 0 H ASP A 61 8.449 -8.843 -3.867 1.00 0.00 H new ATOM 0 HA ASP A 61 9.998 -9.819 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.158 -11.673 -4.280 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.434 -11.898 -4.502 1.00 0.00 H new ATOM 897 N VAL A 62 7.825 -10.094 -7.375 1.00 0.00 N ATOM 898 CA VAL A 62 6.605 -9.912 -8.152 1.00 0.00 C ATOM 899 C VAL A 62 5.967 -11.253 -8.497 1.00 0.00 C ATOM 900 O VAL A 62 4.802 -11.316 -8.887 1.00 0.00 O ATOM 901 CB VAL A 62 6.879 -9.137 -9.454 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.732 -9.968 -10.401 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.572 -8.731 -10.119 1.00 0.00 C ATOM 0 H VAL A 62 8.628 -10.412 -7.918 1.00 0.00 H new ATOM 0 HA VAL A 62 5.919 -9.335 -7.532 1.00 0.00 H new ATOM 0 HB VAL A 62 7.431 -8.230 -9.206 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.915 -9.404 -11.316 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.683 -10.203 -9.923 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.210 -10.893 -10.644 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.786 -8.184 -11.038 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.991 -9.623 -10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.002 -8.095 -9.442 1.00 0.00 H new ATOM 913 N ASN A 63 6.739 -12.325 -8.349 1.00 0.00 N ATOM 914 CA ASN A 63 6.250 -13.666 -8.645 1.00 0.00 C ATOM 915 C ASN A 63 5.712 -14.339 -7.385 1.00 0.00 C ATOM 916 O ASN A 63 5.038 -15.366 -7.458 1.00 0.00 O ATOM 917 CB ASN A 63 7.367 -14.517 -9.253 1.00 0.00 C ATOM 918 CG ASN A 63 8.037 -13.834 -10.430 1.00 0.00 C ATOM 919 OD1 ASN A 63 9.226 -13.519 -10.385 1.00 0.00 O ATOM 920 ND2 ASN A 63 7.274 -13.603 -11.492 1.00 0.00 N ATOM 0 H ASN A 63 7.706 -12.291 -8.026 1.00 0.00 H new ATOM 0 HA ASN A 63 5.437 -13.578 -9.365 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.113 -14.733 -8.488 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.957 -15.473 -9.577 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.669 -13.147 -12.314 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.293 -13.881 -11.485 1.00 0.00 H new ATOM 927 N ALA A 64 6.014 -13.752 -6.232 1.00 0.00 N ATOM 928 CA ALA A 64 5.559 -14.292 -4.957 1.00 0.00 C ATOM 929 C ALA A 64 4.037 -14.366 -4.904 1.00 0.00 C ATOM 930 O ALA A 64 3.347 -13.648 -5.627 1.00 0.00 O ATOM 931 CB ALA A 64 6.089 -13.448 -3.807 1.00 0.00 C ATOM 0 H ALA A 64 6.572 -12.902 -6.155 1.00 0.00 H new ATOM 0 HA ALA A 64 5.949 -15.305 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.741 -13.863 -2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.179 -13.451 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.727 -12.425 -3.909 1.00 0.00 H new ATOM 937 N GLU A 65 3.521 -15.239 -4.044 1.00 0.00 N ATOM 938 CA GLU A 65 2.080 -15.407 -3.900 1.00 0.00 C ATOM 939 C GLU A 65 1.501 -14.354 -2.959 1.00 0.00 C ATOM 940 O GLU A 65 2.063 -14.078 -1.898 1.00 0.00 O ATOM 941 CB GLU A 65 1.757 -16.808 -3.375 1.00 0.00 C ATOM 942 CG GLU A 65 1.812 -17.886 -4.444 1.00 0.00 C ATOM 943 CD GLU A 65 2.149 -19.252 -3.878 1.00 0.00 C ATOM 944 OE1 GLU A 65 1.414 -19.721 -2.984 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.148 -19.851 -4.328 1.00 0.00 O ATOM 0 H GLU A 65 4.079 -15.840 -3.437 1.00 0.00 H new ATOM 0 HA GLU A 65 1.626 -15.281 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.459 -17.060 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.762 -16.800 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.850 -17.936 -4.955 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.556 -17.613 -5.192 1.00 0.00 H new ATOM 952 N ILE A 66 0.377 -13.768 -3.357 1.00 0.00 N ATOM 953 CA ILE A 66 -0.278 -12.746 -2.550 1.00 0.00 C ATOM 954 C ILE A 66 -0.122 -13.037 -1.061 1.00 0.00 C ATOM 955 O ILE A 66 -0.048 -12.120 -0.242 1.00 0.00 O ATOM 956 CB ILE A 66 -1.777 -12.638 -2.886 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.334 -11.296 -2.407 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.545 -13.791 -2.256 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.822 -10.113 -3.198 1.00 0.00 C ATOM 0 H ILE A 66 -0.099 -13.983 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 66 0.208 -11.799 -2.786 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.897 -12.695 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.422 -11.321 -2.468 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.077 -11.159 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.603 -13.701 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.162 -14.736 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.421 -13.763 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.258 -9.195 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.736 -10.063 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.102 -10.227 -4.245 1.00 0.00 H new ATOM 971 N HIS A 67 -0.070 -14.320 -0.717 1.00 0.00 N ATOM 972 CA HIS A 67 0.080 -14.733 0.674 1.00 0.00 C ATOM 973 C HIS A 67 1.298 -14.069 1.309 1.00 0.00 C ATOM 974 O HIS A 67 1.207 -13.491 2.393 1.00 0.00 O ATOM 975 CB HIS A 67 0.208 -16.254 0.766 1.00 0.00 C ATOM 976 CG HIS A 67 -0.637 -16.987 -0.230 1.00 0.00 C ATOM 977 ND1 HIS A 67 -0.218 -18.132 -0.875 1.00 0.00 N ATOM 978 CD2 HIS A 67 -1.885 -16.734 -0.689 1.00 0.00 C ATOM 979 CE1 HIS A 67 -1.170 -18.550 -1.689 1.00 0.00 C ATOM 980 NE2 HIS A 67 -2.193 -17.719 -1.595 1.00 0.00 N ATOM 0 H HIS A 67 -0.129 -15.091 -1.382 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.810 -14.417 1.219 1.00 0.00 H new ATOM 0 HB2 HIS A 67 1.252 -16.532 0.619 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.069 -16.574 1.771 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.520 -15.911 -0.397 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.121 -19.423 -2.324 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.069 -17.797 -2.111 1.00 0.00 H new ATOM 989 N ASP A 68 2.435 -14.156 0.629 1.00 0.00 N ATOM 990 CA ASP A 68 3.671 -13.563 1.127 1.00 0.00 C ATOM 991 C ASP A 68 3.574 -12.041 1.147 1.00 0.00 C ATOM 992 O ASP A 68 4.124 -11.386 2.033 1.00 0.00 O ATOM 993 CB ASP A 68 4.855 -13.999 0.262 1.00 0.00 C ATOM 994 CG ASP A 68 5.165 -15.477 0.407 1.00 0.00 C ATOM 995 OD1 ASP A 68 5.848 -15.846 1.384 1.00 0.00 O ATOM 996 OD2 ASP A 68 4.724 -16.263 -0.458 1.00 0.00 O ATOM 0 H ASP A 68 2.527 -14.631 -0.269 1.00 0.00 H new ATOM 0 HA ASP A 68 3.827 -13.913 2.147 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.639 -13.777 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.735 -13.417 0.536 1.00 0.00 H new ATOM 1001 N TRP A 69 2.873 -11.485 0.166 1.00 0.00 N ATOM 1002 CA TRP A 69 2.705 -10.039 0.071 1.00 0.00 C ATOM 1003 C TRP A 69 2.147 -9.470 1.371 1.00 0.00 C ATOM 1004 O TRP A 69 1.066 -9.857 1.816 1.00 0.00 O ATOM 1005 CB TRP A 69 1.778 -9.688 -1.094 1.00 0.00 C ATOM 1006 CG TRP A 69 2.408 -9.896 -2.438 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.768 -11.088 -2.998 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.753 -8.882 -3.388 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.317 -10.876 -4.240 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.318 -9.532 -4.503 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.638 -7.490 -3.407 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.767 -8.835 -5.622 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.084 -6.800 -4.518 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.642 -7.472 -5.613 1.00 0.00 C ATOM 0 H TRP A 69 2.412 -12.013 -0.575 1.00 0.00 H new ATOM 0 HA TRP A 69 3.684 -9.595 -0.107 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.875 -10.295 -1.026 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.470 -8.647 -1.003 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.640 -12.055 -2.534 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.667 -11.602 -4.865 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.208 -6.962 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.198 -9.352 -6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.001 -5.723 -4.542 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.980 -6.904 -6.467 1.00 0.00 H new ATOM 1025 N VAL A 70 2.890 -8.548 1.975 1.00 0.00 N ATOM 1026 CA VAL A 70 2.468 -7.924 3.224 1.00 0.00 C ATOM 1027 C VAL A 70 1.109 -7.251 3.070 1.00 0.00 C ATOM 1028 O VAL A 70 0.720 -6.860 1.969 1.00 0.00 O ATOM 1029 CB VAL A 70 3.494 -6.880 3.704 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.331 -5.578 2.936 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.354 -6.647 5.201 1.00 0.00 C ATOM 0 H VAL A 70 3.787 -8.217 1.620 1.00 0.00 H new ATOM 0 HA VAL A 70 2.395 -8.719 3.966 1.00 0.00 H new ATOM 0 HB VAL A 70 4.496 -7.264 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.064 -4.853 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.485 -5.761 1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.327 -5.185 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.086 -5.907 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.350 -6.284 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.526 -7.583 5.733 1.00 0.00 H new ATOM 1041 N ILE A 71 0.391 -7.119 4.180 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.925 -6.491 4.168 1.00 0.00 C ATOM 1043 C ILE A 71 -0.903 -5.156 4.904 1.00 0.00 C ATOM 1044 O ILE A 71 -0.824 -5.113 6.131 1.00 0.00 O ATOM 1045 CB ILE A 71 -1.988 -7.401 4.811 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.151 -8.686 3.997 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.316 -6.667 4.923 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.966 -9.749 4.701 1.00 0.00 C ATOM 0 H ILE A 71 0.698 -7.438 5.099 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.186 -6.323 3.123 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.657 -7.668 5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.626 -8.446 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.164 -9.089 3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.057 -7.323 5.379 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.189 -5.778 5.541 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.654 -6.373 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.040 -10.631 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.481 -10.018 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.965 -9.365 4.906 1.00 0.00 H new ATOM 1060 N GLU A 72 -0.976 -4.067 4.144 1.00 0.00 N ATOM 1061 CA GLU A 72 -0.966 -2.729 4.725 1.00 0.00 C ATOM 1062 C GLU A 72 -2.351 -2.093 4.649 1.00 0.00 C ATOM 1063 O GLU A 72 -2.675 -1.362 3.713 1.00 0.00 O ATOM 1064 CB GLU A 72 0.054 -1.845 4.005 1.00 0.00 C ATOM 1065 CG GLU A 72 1.470 -1.994 4.535 1.00 0.00 C ATOM 1066 CD GLU A 72 1.526 -2.028 6.050 1.00 0.00 C ATOM 1067 OE1 GLU A 72 0.930 -1.133 6.685 1.00 0.00 O ATOM 1068 OE2 GLU A 72 2.165 -2.949 6.600 1.00 0.00 O ATOM 0 H GLU A 72 -1.043 -4.085 3.126 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.683 -2.817 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.046 -2.087 2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.252 -0.803 4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.908 -2.910 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.079 -1.166 4.171 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.188 -2.377 5.657 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.552 -1.843 5.729 1.00 0.00 C ATOM 1077 C PRO A 73 -4.573 -0.343 6.004 1.00 0.00 C ATOM 1078 O PRO A 73 -3.886 0.143 6.902 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.173 -2.610 6.899 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.015 -3.005 7.750 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.869 -3.241 6.806 1.00 0.00 C ATOM 0 HA PRO A 73 -5.088 -1.967 4.788 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.876 -1.987 7.452 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.725 -3.483 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.774 -2.222 8.469 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.240 -3.905 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.914 -2.972 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.799 -4.289 6.513 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.368 0.385 5.226 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.480 1.830 5.387 1.00 0.00 C ATOM 1091 C VAL A 74 -6.736 2.200 6.168 1.00 0.00 C ATOM 1092 O VAL A 74 -7.836 2.234 5.616 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.507 2.546 4.024 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.597 4.053 4.214 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.280 2.176 3.204 1.00 0.00 C ATOM 0 H VAL A 74 -5.944 -0.002 4.478 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.601 2.156 5.943 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.392 2.219 3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.615 4.542 3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.509 4.297 4.760 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.732 4.401 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.315 2.691 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.380 2.473 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.265 1.099 3.038 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.565 2.476 7.457 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.685 2.846 8.315 1.00 0.00 C ATOM 1107 C VAL A 75 -8.369 4.112 7.811 1.00 0.00 C ATOM 1108 O VAL A 75 -7.728 4.987 7.232 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.228 3.066 9.769 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.612 1.795 10.334 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.247 4.225 9.850 1.00 0.00 C ATOM 0 H VAL A 75 -5.662 2.450 7.930 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.394 2.018 8.286 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.101 3.317 10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.295 1.970 11.362 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.350 0.993 10.313 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.749 1.510 9.732 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.935 4.366 10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.374 4.007 9.234 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.728 5.134 9.489 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.676 4.201 8.037 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.426 5.364 7.600 1.00 0.00 C ATOM 1123 C GLY A 76 -10.501 5.472 6.090 1.00 0.00 C ATOM 1124 O GLY A 76 -9.840 4.721 5.374 1.00 0.00 O ATOM 0 H GLY A 76 -10.229 3.489 8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.436 5.316 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.962 6.264 8.003 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.309 6.409 5.604 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.470 6.611 4.169 1.00 0.00 C ATOM 1130 C ASN A 77 -10.149 7.025 3.527 1.00 0.00 C ATOM 1131 O ASN A 77 -10.027 7.060 2.302 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.537 7.673 3.898 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.438 8.848 4.853 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -12.519 8.681 6.070 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -12.263 10.043 4.303 1.00 0.00 N ATOM 0 H ASN A 77 -11.862 7.040 6.183 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.788 5.666 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.437 8.031 2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.525 7.221 3.983 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.190 10.871 4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.201 10.134 3.289 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.164 7.337 4.362 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.853 7.750 3.876 1.00 0.00 C ATOM 1144 C ARG A 78 -7.496 7.018 2.586 1.00 0.00 C ATOM 1145 O ARG A 78 -7.857 5.855 2.399 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.785 7.483 4.939 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.663 8.509 4.945 1.00 0.00 C ATOM 1148 CD ARG A 78 -5.103 8.713 6.344 1.00 0.00 C ATOM 1149 NE ARG A 78 -6.062 9.369 7.228 1.00 0.00 N ATOM 1150 CZ ARG A 78 -6.189 10.688 7.325 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -5.421 11.487 6.597 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -7.086 11.210 8.152 1.00 0.00 N ATOM 0 H ARG A 78 -9.249 7.312 5.378 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.890 8.819 3.668 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.258 7.468 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.360 6.493 4.774 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.866 8.182 4.277 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.034 9.458 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.822 7.748 6.766 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.194 9.312 6.287 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.668 8.783 7.802 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.730 11.089 5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.521 12.499 6.674 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.678 10.599 8.714 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.183 12.223 8.226 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.785 7.705 1.699 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.379 7.121 0.426 1.00 0.00 C ATOM 1168 C LEU A 79 -4.862 7.161 0.266 1.00 0.00 C ATOM 1169 O LEU A 79 -4.337 6.980 -0.833 1.00 0.00 O ATOM 1170 CB LEU A 79 -7.045 7.863 -0.734 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.528 8.189 -0.559 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -8.961 9.257 -1.551 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.373 6.934 -0.722 1.00 0.00 C ATOM 0 H LEU A 79 -6.478 8.668 1.838 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.699 6.079 0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.506 8.796 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.930 7.263 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.678 8.576 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.020 9.476 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.378 10.164 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.796 8.898 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.426 7.185 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.218 6.517 -1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.082 6.199 0.028 1.00 0.00 H new ATOM 1185 N THR A 80 -4.162 7.399 1.372 1.00 0.00 N ATOM 1186 CA THR A 80 -2.707 7.462 1.356 1.00 0.00 C ATOM 1187 C THR A 80 -2.106 6.595 2.456 1.00 0.00 C ATOM 1188 O THR A 80 -2.734 6.363 3.490 1.00 0.00 O ATOM 1189 CB THR A 80 -2.205 8.909 1.526 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.774 8.934 1.527 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.729 9.514 2.820 1.00 0.00 C ATOM 0 H THR A 80 -4.581 7.551 2.290 1.00 0.00 H new ATOM 0 HA THR A 80 -2.386 7.085 0.385 1.00 0.00 H new ATOM 0 HB THR A 80 -2.577 9.501 0.690 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.435 8.284 0.876 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.362 10.536 2.919 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.819 9.520 2.804 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.382 8.920 3.666 1.00 0.00 H new ATOM 1199 N HIS A 81 -0.886 6.119 2.229 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.200 5.278 3.204 1.00 0.00 C ATOM 1201 C HIS A 81 1.299 5.563 3.208 1.00 0.00 C ATOM 1202 O HIS A 81 1.884 5.865 2.168 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.450 3.801 2.899 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.394 2.922 4.111 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -1.042 3.224 5.290 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.235 1.742 4.320 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.812 2.269 6.173 1.00 0.00 C ATOM 1208 NE2 HIS A 81 -0.040 1.358 5.610 1.00 0.00 N ATOM 0 H HIS A 81 -0.352 6.301 1.379 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.598 5.510 4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.428 3.696 2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.290 3.457 2.176 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.840 1.203 3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.191 2.239 7.184 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.298 0.507 6.060 1.00 0.00 H new ATOM 1217 N GLN A 82 1.912 5.465 4.383 1.00 0.00 N ATOM 1218 CA GLN A 82 3.342 5.714 4.521 1.00 0.00 C ATOM 1219 C GLN A 82 4.085 4.431 4.879 1.00 0.00 C ATOM 1220 O GLN A 82 3.871 3.856 5.946 1.00 0.00 O ATOM 1221 CB GLN A 82 3.595 6.779 5.589 1.00 0.00 C ATOM 1222 CG GLN A 82 3.607 8.198 5.042 1.00 0.00 C ATOM 1223 CD GLN A 82 4.038 9.219 6.077 1.00 0.00 C ATOM 1224 OE1 GLN A 82 4.161 8.905 7.261 1.00 0.00 O ATOM 1225 NE2 GLN A 82 4.269 10.449 5.634 1.00 0.00 N ATOM 0 H GLN A 82 1.441 5.215 5.253 1.00 0.00 H new ATOM 0 HA GLN A 82 3.717 6.075 3.563 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.826 6.701 6.357 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.551 6.577 6.073 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.280 8.248 4.186 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.611 8.452 4.679 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.154 10.664 4.644 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.561 11.179 6.284 1.00 0.00 H new ATOM 1234 N ILE A 83 4.960 3.990 3.981 1.00 0.00 N ATOM 1235 CA ILE A 83 5.735 2.776 4.203 1.00 0.00 C ATOM 1236 C ILE A 83 7.209 3.098 4.426 1.00 0.00 C ATOM 1237 O ILE A 83 7.933 3.419 3.485 1.00 0.00 O ATOM 1238 CB ILE A 83 5.608 1.801 3.017 1.00 0.00 C ATOM 1239 CG1 ILE A 83 4.163 1.317 2.879 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.552 0.622 3.197 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.865 0.679 1.541 1.00 0.00 C ATOM 0 H ILE A 83 5.150 4.455 3.093 1.00 0.00 H new ATOM 0 HA ILE A 83 5.329 2.302 5.097 1.00 0.00 H new ATOM 0 HB ILE A 83 5.884 2.326 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.952 0.598 3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.490 2.161 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.450 -0.058 2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.579 0.983 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.304 0.095 4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.823 0.360 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.044 1.402 0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.513 -0.186 1.398 1.00 0.00 H new ATOM 1253 N GLN A 84 7.646 3.008 5.678 1.00 0.00 N ATOM 1254 CA GLN A 84 9.034 3.289 6.025 1.00 0.00 C ATOM 1255 C GLN A 84 9.803 1.997 6.283 1.00 0.00 C ATOM 1256 O GLN A 84 9.243 0.905 6.202 1.00 0.00 O ATOM 1257 CB GLN A 84 9.101 4.192 7.258 1.00 0.00 C ATOM 1258 CG GLN A 84 8.111 3.811 8.346 1.00 0.00 C ATOM 1259 CD GLN A 84 8.610 4.153 9.736 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.631 3.633 10.186 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.891 5.032 10.423 1.00 0.00 N ATOM 0 H GLN A 84 7.059 2.743 6.469 1.00 0.00 H new ATOM 0 HA GLN A 84 9.496 3.803 5.182 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.110 4.158 7.669 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.915 5.222 6.954 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.166 4.324 8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.909 2.741 8.290 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.051 5.438 10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.178 5.302 11.364 1.00 0.00 H new ATOM 1270 N GLU A 85 11.088 2.132 6.594 1.00 0.00 N ATOM 1271 CA GLU A 85 11.933 0.974 6.863 1.00 0.00 C ATOM 1272 C GLU A 85 12.016 0.065 5.640 1.00 0.00 C ATOM 1273 O GLU A 85 11.846 -1.150 5.743 1.00 0.00 O ATOM 1274 CB GLU A 85 11.394 0.189 8.061 1.00 0.00 C ATOM 1275 CG GLU A 85 11.379 0.985 9.354 1.00 0.00 C ATOM 1276 CD GLU A 85 11.312 0.100 10.584 1.00 0.00 C ATOM 1277 OE1 GLU A 85 11.864 -1.020 10.538 1.00 0.00 O ATOM 1278 OE2 GLU A 85 10.710 0.527 11.591 1.00 0.00 O ATOM 0 H GLU A 85 11.566 3.030 6.666 1.00 0.00 H new ATOM 0 HA GLU A 85 12.935 1.334 7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.381 -0.146 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.002 -0.705 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.274 1.604 9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.524 1.661 9.350 1.00 0.00 H new ATOM 1285 N LEU A 86 12.278 0.663 4.483 1.00 0.00 N ATOM 1286 CA LEU A 86 12.384 -0.092 3.239 1.00 0.00 C ATOM 1287 C LEU A 86 13.838 -0.208 2.794 1.00 0.00 C ATOM 1288 O LEU A 86 14.742 0.318 3.445 1.00 0.00 O ATOM 1289 CB LEU A 86 11.555 0.578 2.142 1.00 0.00 C ATOM 1290 CG LEU A 86 10.036 0.492 2.300 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.342 1.379 1.279 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.567 -0.949 2.165 1.00 0.00 C ATOM 0 H LEU A 86 12.421 1.668 4.380 1.00 0.00 H new ATOM 0 HA LEU A 86 11.997 -1.095 3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.836 1.630 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.826 0.131 1.186 1.00 0.00 H new ATOM 0 HG LEU A 86 9.773 0.847 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.262 1.305 1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.654 2.413 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.611 1.056 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.484 -0.991 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.843 -1.331 1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.038 -1.559 2.936 1.00 0.00 H new ATOM 1304 N THR A 87 14.057 -0.899 1.680 1.00 0.00 N ATOM 1305 CA THR A 87 15.401 -1.084 1.147 1.00 0.00 C ATOM 1306 C THR A 87 15.659 -0.151 -0.031 1.00 0.00 C ATOM 1307 O THR A 87 14.751 0.151 -0.807 1.00 0.00 O ATOM 1308 CB THR A 87 15.631 -2.538 0.695 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.202 -3.443 1.719 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.099 -2.781 0.380 1.00 0.00 C ATOM 0 H THR A 87 13.321 -1.340 1.129 1.00 0.00 H new ATOM 0 HA THR A 87 16.096 -0.848 1.953 1.00 0.00 H new ATOM 0 HB THR A 87 15.048 -2.710 -0.210 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.333 -3.824 1.475 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.237 -3.815 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.415 -2.111 -0.419 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.698 -2.592 1.270 1.00 0.00 H new ATOM 1318 N LEU A 88 16.900 0.303 -0.159 1.00 0.00 N ATOM 1319 CA LEU A 88 17.278 1.202 -1.244 1.00 0.00 C ATOM 1320 C LEU A 88 17.779 0.417 -2.452 1.00 0.00 C ATOM 1321 O LEU A 88 17.933 -0.803 -2.392 1.00 0.00 O ATOM 1322 CB LEU A 88 18.357 2.178 -0.772 1.00 0.00 C ATOM 1323 CG LEU A 88 18.147 2.791 0.613 1.00 0.00 C ATOM 1324 CD1 LEU A 88 19.389 3.552 1.053 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.931 3.706 0.613 1.00 0.00 C ATOM 0 H LEU A 88 17.662 0.064 0.475 1.00 0.00 H new ATOM 0 HA LEU A 88 16.393 1.765 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 88 19.315 1.659 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.430 2.987 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 88 17.969 1.984 1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 88 19.222 3.982 2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 88 20.238 2.870 1.093 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.598 4.350 0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.797 4.133 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 88 17.079 4.508 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 88 16.044 3.133 0.342 1.00 0.00 H new ATOM 1337 N ASP A 89 18.035 1.125 -3.547 1.00 0.00 N ATOM 1338 CA ASP A 89 18.523 0.496 -4.768 1.00 0.00 C ATOM 1339 C ASP A 89 17.842 -0.850 -4.995 1.00 0.00 C ATOM 1340 O ASP A 89 18.482 -1.824 -5.395 1.00 0.00 O ATOM 1341 CB ASP A 89 20.039 0.308 -4.700 1.00 0.00 C ATOM 1342 CG ASP A 89 20.599 -0.346 -5.948 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.429 0.226 -7.045 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.207 -1.430 -5.827 1.00 0.00 O ATOM 0 H ASP A 89 17.912 2.135 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 89 18.283 1.151 -5.605 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.516 1.277 -4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.288 -0.302 -3.831 1.00 0.00 H new ATOM 1349 N THR A 90 16.538 -0.900 -4.737 1.00 0.00 N ATOM 1350 CA THR A 90 15.770 -2.126 -4.911 1.00 0.00 C ATOM 1351 C THR A 90 14.344 -1.823 -5.355 1.00 0.00 C ATOM 1352 O THR A 90 13.588 -1.135 -4.670 1.00 0.00 O ATOM 1353 CB THR A 90 15.727 -2.950 -3.610 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.020 -3.500 -3.335 1.00 0.00 O ATOM 1355 CG2 THR A 90 14.705 -4.073 -3.715 1.00 0.00 C ATOM 0 H THR A 90 15.992 -0.104 -4.407 1.00 0.00 H new ATOM 0 HA THR A 90 16.272 -2.707 -5.684 1.00 0.00 H new ATOM 0 HB THR A 90 15.434 -2.287 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.606 -2.798 -2.982 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.692 -4.641 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.717 -3.650 -3.895 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.973 -4.733 -4.540 1.00 0.00 H new ATOM 1363 N PRO A 91 13.965 -2.349 -6.529 1.00 0.00 N ATOM 1364 CA PRO A 91 12.626 -2.149 -7.091 1.00 0.00 C ATOM 1365 C PRO A 91 11.550 -2.887 -6.302 1.00 0.00 C ATOM 1366 O PRO A 91 11.510 -4.118 -6.290 1.00 0.00 O ATOM 1367 CB PRO A 91 12.744 -2.726 -8.504 1.00 0.00 C ATOM 1368 CG PRO A 91 13.848 -3.722 -8.415 1.00 0.00 C ATOM 1369 CD PRO A 91 14.815 -3.179 -7.399 1.00 0.00 C ATOM 0 HA PRO A 91 12.327 -1.101 -7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.812 -3.195 -8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.971 -1.947 -9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.470 -4.698 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.332 -3.855 -9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.302 -3.978 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.604 -2.592 -7.869 1.00 0.00 H new ATOM 1377 N TYR A 92 10.681 -2.129 -5.643 1.00 0.00 N ATOM 1378 CA TYR A 92 9.606 -2.712 -4.850 1.00 0.00 C ATOM 1379 C TYR A 92 8.274 -2.628 -5.590 1.00 0.00 C ATOM 1380 O TYR A 92 7.906 -1.574 -6.109 1.00 0.00 O ATOM 1381 CB TYR A 92 9.497 -2.002 -3.499 1.00 0.00 C ATOM 1382 CG TYR A 92 10.324 -2.645 -2.409 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.711 -2.568 -2.425 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.718 -3.328 -1.362 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.471 -3.155 -1.432 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.470 -3.916 -0.363 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.846 -3.827 -0.403 1.00 0.00 C ATOM 1388 OH TYR A 92 12.599 -4.411 0.590 1.00 0.00 O ATOM 0 H TYR A 92 10.700 -1.109 -5.642 1.00 0.00 H new ATOM 0 HA TYR A 92 9.842 -3.763 -4.683 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.810 -0.965 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.452 -1.986 -3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.204 -2.040 -3.228 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.641 -3.401 -1.328 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.549 -3.088 -1.461 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.983 -4.442 0.445 1.00 0.00 H new ATOM 0 HH TYR A 92 12.006 -4.843 1.239 1.00 0.00 H new ATOM 1398 N TYR A 93 7.557 -3.745 -5.633 1.00 0.00 N ATOM 1399 CA TYR A 93 6.267 -3.799 -6.311 1.00 0.00 C ATOM 1400 C TYR A 93 5.125 -3.564 -5.327 1.00 0.00 C ATOM 1401 O TYR A 93 4.925 -4.341 -4.393 1.00 0.00 O ATOM 1402 CB TYR A 93 6.088 -5.150 -7.005 1.00 0.00 C ATOM 1403 CG TYR A 93 7.348 -5.663 -7.667 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.311 -6.347 -6.936 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.573 -5.463 -9.023 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.463 -6.816 -7.537 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.722 -5.929 -9.632 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.664 -6.605 -8.885 1.00 0.00 C ATOM 1409 OH TYR A 93 10.810 -7.072 -9.487 1.00 0.00 O ATOM 0 H TYR A 93 7.847 -4.625 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 93 6.245 -3.008 -7.061 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.748 -5.883 -6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.303 -5.062 -7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.157 -6.515 -5.880 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.837 -4.934 -9.611 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.202 -7.345 -6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.882 -5.765 -10.687 1.00 0.00 H new ATOM 0 HH TYR A 93 10.796 -6.842 -10.439 1.00 0.00 H new ATOM 1419 N PHE A 94 4.377 -2.488 -5.546 1.00 0.00 N ATOM 1420 CA PHE A 94 3.253 -2.149 -4.679 1.00 0.00 C ATOM 1421 C PHE A 94 1.927 -2.347 -5.406 1.00 0.00 C ATOM 1422 O PHE A 94 1.850 -2.220 -6.629 1.00 0.00 O ATOM 1423 CB PHE A 94 3.373 -0.702 -4.197 1.00 0.00 C ATOM 1424 CG PHE A 94 4.749 -0.342 -3.715 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.732 0.045 -4.612 1.00 0.00 C ATOM 1426 CD2 PHE A 94 5.061 -0.392 -2.366 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.999 0.377 -4.173 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.326 -0.060 -1.921 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.297 0.324 -2.825 1.00 0.00 C ATOM 0 H PHE A 94 4.528 -1.836 -6.316 1.00 0.00 H new ATOM 0 HA PHE A 94 3.277 -2.815 -3.817 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.095 -0.032 -5.011 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.659 -0.536 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.505 0.088 -5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 94 4.307 -0.694 -1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.756 0.678 -4.883 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.556 -0.101 -0.866 1.00 0.00 H new ATOM 0 HZ PHE A 94 8.287 0.582 -2.479 1.00 0.00 H new ATOM 1439 N LYS A 95 0.883 -2.660 -4.646 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.442 -2.875 -5.215 1.00 0.00 C ATOM 1441 C LYS A 95 -1.524 -2.292 -4.312 1.00 0.00 C ATOM 1442 O LYS A 95 -1.400 -2.313 -3.087 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.692 -4.370 -5.427 1.00 0.00 C ATOM 1444 CG LYS A 95 0.040 -4.945 -6.628 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.570 -6.263 -7.074 1.00 0.00 C ATOM 1446 CE LYS A 95 0.028 -7.438 -6.314 1.00 0.00 C ATOM 1447 NZ LYS A 95 -0.709 -7.716 -5.051 1.00 0.00 N ATOM 0 H LYS A 95 0.929 -2.771 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.483 -2.365 -6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.386 -4.912 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.762 -4.537 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.008 -4.231 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.090 -5.095 -6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.648 -6.238 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.406 -6.398 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.012 -8.325 -6.947 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.073 -7.229 -6.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.038 -8.021 -4.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.197 -6.853 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.407 -8.469 -5.215 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.583 -1.773 -4.924 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.686 -1.186 -4.174 1.00 0.00 C ATOM 1463 C ILE A 96 -4.993 -1.919 -4.456 1.00 0.00 C ATOM 1464 O ILE A 96 -5.123 -2.610 -5.466 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.865 0.306 -4.510 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.530 1.043 -4.385 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.909 0.933 -3.598 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.528 2.405 -5.043 1.00 0.00 C ATOM 0 H ILE A 96 -2.700 -1.747 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.437 -1.284 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.212 0.392 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.285 1.158 -3.329 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.744 0.432 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.024 1.988 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.863 0.422 -3.732 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.589 0.839 -2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.550 2.869 -4.915 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.741 2.296 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.291 3.033 -4.582 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.959 -1.763 -3.556 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.257 -2.410 -3.709 1.00 0.00 C ATOM 1482 C GLN A 97 -8.327 -1.680 -2.903 1.00 0.00 C ATOM 1483 O GLN A 97 -8.034 -0.724 -2.186 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.177 -3.872 -3.267 1.00 0.00 C ATOM 1485 CG GLN A 97 -6.871 -4.045 -1.788 1.00 0.00 C ATOM 1486 CD GLN A 97 -7.394 -5.354 -1.233 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -7.567 -5.504 -0.023 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -7.650 -6.312 -2.116 1.00 0.00 N ATOM 0 H GLN A 97 -5.867 -1.195 -2.714 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.532 -2.371 -4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.123 -4.364 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.407 -4.378 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.793 -3.995 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.310 -3.217 -1.231 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.492 -6.145 -3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.004 -7.215 -1.801 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.569 -2.138 -3.027 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.682 -1.530 -2.309 1.00 0.00 C ATOM 1499 C ALA A 98 -11.677 -2.587 -1.842 1.00 0.00 C ATOM 1500 O ALA A 98 -11.957 -3.548 -2.558 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.377 -0.500 -3.187 1.00 0.00 C ATOM 0 H ALA A 98 -9.829 -2.928 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.283 -1.029 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.206 -0.054 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.667 0.278 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.757 -0.985 -4.086 1.00 0.00 H new ATOM 1507 N ARG A 99 -12.206 -2.403 -0.637 1.00 0.00 N ATOM 1508 CA ARG A 99 -13.168 -3.343 -0.074 1.00 0.00 C ATOM 1509 C ARG A 99 -14.303 -2.603 0.629 1.00 0.00 C ATOM 1510 O ARG A 99 -14.132 -1.474 1.085 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.475 -4.288 0.909 1.00 0.00 C ATOM 1512 CG ARG A 99 -12.591 -3.850 2.360 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.490 -4.457 3.215 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.206 -4.476 2.521 1.00 0.00 N ATOM 1515 CZ ARG A 99 -9.518 -3.381 2.216 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -9.990 -2.186 2.544 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -8.356 -3.479 1.583 1.00 0.00 N ATOM 0 H ARG A 99 -11.985 -1.612 -0.032 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.589 -3.927 -0.892 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.903 -5.285 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.420 -4.364 0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.541 -2.763 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.564 -4.145 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.394 -3.888 4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.766 -5.474 3.494 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.815 -5.380 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.883 -2.106 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.460 -1.346 2.309 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -7.989 -4.396 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -7.830 -2.637 1.350 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.462 -3.249 0.711 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.625 -2.652 1.357 1.00 0.00 C ATOM 1533 C ASN A 100 -17.213 -3.598 2.400 1.00 0.00 C ATOM 1534 O ASN A 100 -16.669 -4.672 2.656 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.688 -2.300 0.315 1.00 0.00 C ATOM 1536 CG ASN A 100 -17.084 -1.782 -0.975 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -15.905 -1.429 -1.024 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -17.891 -1.732 -2.029 1.00 0.00 N ATOM 0 H ASN A 100 -15.620 -4.185 0.338 1.00 0.00 H new ATOM 0 HA ASN A 100 -16.302 -1.740 1.860 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -18.290 -3.183 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -18.360 -1.547 0.726 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.540 -1.391 -2.924 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.861 -2.035 -1.943 1.00 0.00 H new ATOM 1545 N SER A 101 -18.328 -3.191 2.999 1.00 0.00 N ATOM 1546 CA SER A 101 -18.988 -4.000 4.017 1.00 0.00 C ATOM 1547 C SER A 101 -19.027 -5.468 3.603 1.00 0.00 C ATOM 1548 O SER A 101 -19.100 -6.362 4.446 1.00 0.00 O ATOM 1549 CB SER A 101 -20.410 -3.489 4.261 1.00 0.00 C ATOM 1550 OG SER A 101 -21.047 -4.227 5.289 1.00 0.00 O ATOM 0 H SER A 101 -18.793 -2.306 2.797 1.00 0.00 H new ATOM 0 HA SER A 101 -18.416 -3.916 4.941 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.379 -2.434 4.532 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.990 -3.565 3.341 1.00 0.00 H new ATOM 0 HG SER A 101 -21.953 -3.881 5.427 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.979 -5.709 2.297 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.007 -7.068 1.768 1.00 0.00 C ATOM 1558 C LYS A 102 -17.622 -7.704 1.828 1.00 0.00 C ATOM 1559 O LYS A 102 -17.352 -8.547 2.682 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.517 -7.065 0.325 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.031 -7.119 0.214 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.574 -8.466 0.659 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.972 -8.337 1.246 1.00 0.00 C ATOM 1564 NZ LYS A 102 -22.952 -7.699 2.591 1.00 0.00 N ATOM 0 H LYS A 102 -18.921 -4.981 1.585 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.685 -7.658 2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.156 -6.167 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.092 -7.918 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.470 -6.329 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.328 -6.928 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.596 -9.149 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.905 -8.902 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -23.595 -7.747 0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -23.428 -9.324 1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.866 -7.855 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.191 -8.118 3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.785 -6.678 2.488 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.747 -7.293 0.915 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.400 -7.832 0.883 1.00 0.00 C ATOM 1580 C GLY A 103 -14.467 -7.011 0.016 1.00 0.00 C ATOM 1581 O GLY A 103 -14.735 -5.843 -0.262 1.00 0.00 O ATOM 0 H GLY A 103 -16.947 -6.597 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.005 -7.874 1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.431 -8.856 0.510 1.00 0.00 H new ATOM 1585 N MET A 104 -13.367 -7.623 -0.411 1.00 0.00 N ATOM 1586 CA MET A 104 -12.391 -6.939 -1.252 1.00 0.00 C ATOM 1587 C MET A 104 -12.687 -7.175 -2.730 1.00 0.00 C ATOM 1588 O MET A 104 -13.615 -7.902 -3.079 1.00 0.00 O ATOM 1589 CB MET A 104 -10.976 -7.419 -0.920 1.00 0.00 C ATOM 1590 CG MET A 104 -10.584 -7.197 0.531 1.00 0.00 C ATOM 1591 SD MET A 104 -8.927 -7.801 0.903 1.00 0.00 S ATOM 1592 CE MET A 104 -9.305 -9.215 1.935 1.00 0.00 C ATOM 0 H MET A 104 -13.129 -8.590 -0.189 1.00 0.00 H new ATOM 0 HA MET A 104 -12.461 -5.870 -1.052 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.898 -8.482 -1.150 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.265 -6.901 -1.563 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.638 -6.133 0.759 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.303 -7.699 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.378 -9.696 2.246 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.856 -8.886 2.816 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.911 -9.925 1.372 1.00 0.00 H new ATOM 1602 N GLY A 105 -11.890 -6.554 -3.595 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.084 -6.709 -5.025 1.00 0.00 C ATOM 1604 C GLY A 105 -10.842 -7.224 -5.726 1.00 0.00 C ATOM 1605 O GLY A 105 -9.948 -7.800 -5.106 1.00 0.00 O ATOM 0 H GLY A 105 -11.114 -5.947 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -12.910 -7.397 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.369 -5.749 -5.456 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.777 -7.018 -7.049 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.640 -7.459 -7.864 1.00 0.00 C ATOM 1611 C PRO A 106 -8.375 -6.657 -7.577 1.00 0.00 C ATOM 1612 O PRO A 106 -8.436 -5.453 -7.331 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.116 -7.214 -9.298 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.131 -6.130 -9.180 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.806 -6.337 -7.853 1.00 0.00 C ATOM 0 HA PRO A 106 -9.370 -8.495 -7.661 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.290 -6.915 -9.944 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.548 -8.116 -9.731 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.661 -5.148 -9.229 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.852 -6.180 -9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.106 -5.391 -7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.706 -6.944 -7.950 1.00 0.00 H new ATOM 1623 N MET A 107 -7.232 -7.333 -7.612 1.00 0.00 N ATOM 1624 CA MET A 107 -5.952 -6.681 -7.357 1.00 0.00 C ATOM 1625 C MET A 107 -5.546 -5.801 -8.535 1.00 0.00 C ATOM 1626 O MET A 107 -5.815 -6.130 -9.690 1.00 0.00 O ATOM 1627 CB MET A 107 -4.867 -7.727 -7.090 1.00 0.00 C ATOM 1628 CG MET A 107 -5.092 -8.523 -5.815 1.00 0.00 C ATOM 1629 SD MET A 107 -5.432 -7.471 -4.391 1.00 0.00 S ATOM 1630 CE MET A 107 -5.501 -8.689 -3.079 1.00 0.00 C ATOM 0 H MET A 107 -7.165 -8.331 -7.814 1.00 0.00 H new ATOM 0 HA MET A 107 -6.063 -6.050 -6.476 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.821 -8.415 -7.935 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.899 -7.228 -7.032 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.926 -9.209 -5.962 1.00 0.00 H new ATOM 0 HG3 MET A 107 -4.211 -9.131 -5.611 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.069 -8.288 -2.240 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.987 -9.593 -3.447 1.00 0.00 H new ATOM 0 HE3 MET A 107 -4.489 -8.928 -2.751 1.00 0.00 H new ATOM 1640 N SER A 108 -4.899 -4.679 -8.235 1.00 0.00 N ATOM 1641 CA SER A 108 -4.460 -3.749 -9.269 1.00 0.00 C ATOM 1642 C SER A 108 -3.147 -4.211 -9.893 1.00 0.00 C ATOM 1643 O SER A 108 -2.572 -5.217 -9.480 1.00 0.00 O ATOM 1644 CB SER A 108 -4.295 -2.345 -8.684 1.00 0.00 C ATOM 1645 OG SER A 108 -3.062 -2.221 -7.996 1.00 0.00 O ATOM 0 H SER A 108 -4.667 -4.392 -7.284 1.00 0.00 H new ATOM 0 HA SER A 108 -5.222 -3.723 -10.048 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.345 -1.606 -9.484 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.118 -2.133 -8.002 1.00 0.00 H new ATOM 0 HG SER A 108 -2.828 -1.273 -7.912 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.679 -3.467 -10.890 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.434 -3.800 -11.572 1.00 0.00 C ATOM 1653 C GLU A 109 -0.230 -3.490 -10.688 1.00 0.00 C ATOM 1654 O GLU A 109 -0.128 -2.404 -10.118 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.326 -3.028 -12.889 1.00 0.00 C ATOM 1656 CG GLU A 109 -1.979 -3.736 -14.065 1.00 0.00 C ATOM 1657 CD GLU A 109 -1.162 -4.911 -14.565 1.00 0.00 C ATOM 1658 OE1 GLU A 109 0.072 -4.765 -14.690 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.756 -5.977 -14.832 1.00 0.00 O ATOM 0 H GLU A 109 -3.143 -2.630 -11.243 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.441 -4.869 -11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.786 -2.048 -12.765 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.273 -2.859 -13.116 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.968 -4.086 -13.770 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.122 -3.025 -14.879 1.00 0.00 H new ATOM 1666 N ALA A 110 0.680 -4.453 -10.579 1.00 0.00 N ATOM 1667 CA ALA A 110 1.878 -4.283 -9.766 1.00 0.00 C ATOM 1668 C ALA A 110 2.640 -3.024 -10.167 1.00 0.00 C ATOM 1669 O ALA A 110 3.136 -2.917 -11.289 1.00 0.00 O ATOM 1670 CB ALA A 110 2.775 -5.506 -9.887 1.00 0.00 C ATOM 0 H ALA A 110 0.610 -5.358 -11.043 1.00 0.00 H new ATOM 0 HA ALA A 110 1.569 -4.173 -8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.666 -5.366 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.235 -6.389 -9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.068 -5.641 -10.928 1.00 0.00 H new ATOM 1676 N VAL A 111 2.728 -2.072 -9.243 1.00 0.00 N ATOM 1677 CA VAL A 111 3.429 -0.820 -9.500 1.00 0.00 C ATOM 1678 C VAL A 111 4.906 -0.933 -9.138 1.00 0.00 C ATOM 1679 O VAL A 111 5.273 -0.877 -7.965 1.00 0.00 O ATOM 1680 CB VAL A 111 2.806 0.345 -8.709 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.623 1.614 -8.894 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.362 0.565 -9.135 1.00 0.00 C ATOM 0 H VAL A 111 2.322 -2.144 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 111 3.333 -0.617 -10.567 1.00 0.00 H new ATOM 0 HB VAL A 111 2.814 0.087 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.167 2.426 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.639 1.448 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.649 1.879 -9.951 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.937 1.392 -8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.328 0.801 -10.199 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.785 -0.340 -8.946 1.00 0.00 H new ATOM 1692 N GLN A 112 5.748 -1.092 -10.154 1.00 0.00 N ATOM 1693 CA GLN A 112 7.186 -1.213 -9.942 1.00 0.00 C ATOM 1694 C GLN A 112 7.825 0.158 -9.753 1.00 0.00 C ATOM 1695 O GLN A 112 7.988 0.916 -10.710 1.00 0.00 O ATOM 1696 CB GLN A 112 7.838 -1.935 -11.122 1.00 0.00 C ATOM 1697 CG GLN A 112 9.322 -2.200 -10.929 1.00 0.00 C ATOM 1698 CD GLN A 112 9.914 -3.042 -12.041 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.189 -3.620 -12.851 1.00 0.00 O ATOM 1700 NE2 GLN A 112 11.240 -3.116 -12.087 1.00 0.00 N ATOM 0 H GLN A 112 5.460 -1.140 -11.131 1.00 0.00 H new ATOM 0 HA GLN A 112 7.346 -1.796 -9.035 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.326 -2.884 -11.284 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.698 -1.339 -12.024 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.853 -1.250 -10.876 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.476 -2.705 -9.975 1.00 0.00 H new ATOM 0 HE21 GLN A 112 11.803 -2.621 -11.395 1.00 0.00 H new ATOM 0 HE22 GLN A 112 11.695 -3.668 -12.814 1.00 0.00 H new ATOM 1709 N PHE A 113 8.187 0.472 -8.513 1.00 0.00 N ATOM 1710 CA PHE A 113 8.808 1.753 -8.199 1.00 0.00 C ATOM 1711 C PHE A 113 10.176 1.550 -7.554 1.00 0.00 C ATOM 1712 O PHE A 113 10.284 0.978 -6.469 1.00 0.00 O ATOM 1713 CB PHE A 113 7.907 2.565 -7.266 1.00 0.00 C ATOM 1714 CG PHE A 113 8.580 3.778 -6.689 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.458 3.658 -5.624 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.333 5.037 -7.211 1.00 0.00 C ATOM 1717 CE1 PHE A 113 10.079 4.771 -5.090 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.952 6.154 -6.682 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.825 6.021 -5.619 1.00 0.00 C ATOM 0 H PHE A 113 8.061 -0.144 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 113 8.943 2.302 -9.131 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.018 2.878 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.570 1.924 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.660 2.683 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.650 5.147 -8.040 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.762 4.663 -4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.753 7.130 -7.099 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.308 6.893 -5.203 1.00 0.00 H new ATOM 1729 N ARG A 114 11.218 2.024 -8.229 1.00 0.00 N ATOM 1730 CA ARG A 114 12.579 1.894 -7.723 1.00 0.00 C ATOM 1731 C ARG A 114 12.809 2.823 -6.536 1.00 0.00 C ATOM 1732 O ARG A 114 12.385 3.980 -6.546 1.00 0.00 O ATOM 1733 CB ARG A 114 13.589 2.204 -8.830 1.00 0.00 C ATOM 1734 CG ARG A 114 14.984 1.671 -8.548 1.00 0.00 C ATOM 1735 CD ARG A 114 15.966 2.078 -9.635 1.00 0.00 C ATOM 1736 NE ARG A 114 17.315 1.587 -9.367 1.00 0.00 N ATOM 1737 CZ ARG A 114 18.342 1.774 -10.188 1.00 0.00 C ATOM 1738 NH1 ARG A 114 18.176 2.438 -11.323 1.00 0.00 N ATOM 1739 NH2 ARG A 114 19.540 1.297 -9.873 1.00 0.00 N ATOM 0 H ARG A 114 11.146 2.501 -9.127 1.00 0.00 H new ATOM 0 HA ARG A 114 12.719 0.866 -7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.230 1.779 -9.767 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.643 3.284 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.330 2.046 -7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.951 0.584 -8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.624 1.692 -10.595 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.986 3.165 -9.717 1.00 0.00 H new ATOM 0 HE ARG A 114 17.477 1.072 -8.502 1.00 0.00 H new ATOM 0 HH11 ARG A 114 17.257 2.807 -11.568 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.967 2.580 -11.951 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.672 0.786 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 114 20.328 1.441 -10.504 1.00 0.00 H new ATOM 1753 N THR A 115 13.483 2.310 -5.511 1.00 0.00 N ATOM 1754 CA THR A 115 13.768 3.093 -4.315 1.00 0.00 C ATOM 1755 C THR A 115 14.901 4.083 -4.562 1.00 0.00 C ATOM 1756 O THR A 115 15.839 3.815 -5.314 1.00 0.00 O ATOM 1757 CB THR A 115 14.144 2.187 -3.127 1.00 0.00 C ATOM 1758 OG1 THR A 115 15.123 1.226 -3.534 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.917 1.470 -2.584 1.00 0.00 C ATOM 0 H THR A 115 13.842 1.355 -5.485 1.00 0.00 H new ATOM 0 HA THR A 115 12.857 3.640 -4.072 1.00 0.00 H new ATOM 0 HB THR A 115 14.558 2.814 -2.337 1.00 0.00 H new ATOM 0 HG1 THR A 115 15.009 0.403 -3.015 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.207 0.836 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.186 2.205 -2.247 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.478 0.855 -3.369 1.00 0.00 H new ATOM 1767 N PRO A 116 14.816 5.255 -3.916 1.00 0.00 N ATOM 1768 CA PRO A 116 15.827 6.308 -4.049 1.00 0.00 C ATOM 1769 C PRO A 116 17.149 5.929 -3.391 1.00 0.00 C ATOM 1770 O PRO A 116 17.395 4.760 -3.096 1.00 0.00 O ATOM 1771 CB PRO A 116 15.193 7.501 -3.330 1.00 0.00 C ATOM 1772 CG PRO A 116 14.244 6.895 -2.354 1.00 0.00 C ATOM 1773 CD PRO A 116 13.726 5.642 -3.004 1.00 0.00 C ATOM 0 HA PRO A 116 16.076 6.505 -5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.947 8.106 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.675 8.156 -4.031 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.744 6.668 -1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 116 13.429 7.581 -2.125 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.521 4.863 -2.269 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.796 5.824 -3.543 1.00 0.00 H new ATOM 1781 N LYS A 117 17.997 6.926 -3.162 1.00 0.00 N ATOM 1782 CA LYS A 117 19.294 6.698 -2.537 1.00 0.00 C ATOM 1783 C LYS A 117 19.607 7.791 -1.519 1.00 0.00 C ATOM 1784 O LYS A 117 19.004 8.864 -1.542 1.00 0.00 O ATOM 1785 CB LYS A 117 20.394 6.647 -3.599 1.00 0.00 C ATOM 1786 CG LYS A 117 20.326 5.416 -4.486 1.00 0.00 C ATOM 1787 CD LYS A 117 21.260 4.322 -3.996 1.00 0.00 C ATOM 1788 CE LYS A 117 20.708 3.632 -2.758 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.559 2.484 -2.337 1.00 0.00 N ATOM 0 H LYS A 117 17.809 7.900 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 117 19.255 5.741 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 117 20.327 7.538 -4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 117 21.365 6.676 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.303 5.039 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.588 5.688 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.409 3.587 -4.787 1.00 0.00 H new ATOM 0 HD3 LYS A 117 22.237 4.750 -3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.639 4.351 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.696 3.280 -2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.961 1.648 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 22.254 2.275 -3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.058 2.726 -1.457 1.00 0.00 H new ATOM 1803 N ALA A 118 20.554 7.512 -0.629 1.00 0.00 N ATOM 1804 CA ALA A 118 20.948 8.472 0.394 1.00 0.00 C ATOM 1805 C ALA A 118 21.955 9.477 -0.156 1.00 0.00 C ATOM 1806 O ALA A 118 22.905 9.856 0.529 1.00 0.00 O ATOM 1807 CB ALA A 118 21.526 7.750 1.601 1.00 0.00 C ATOM 0 H ALA A 118 21.062 6.628 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 118 20.059 9.020 0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.816 8.480 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.776 7.076 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 118 22.401 7.176 1.297 1.00 0.00 H new