USER MOD reduce.3.24.130724 H: found=0, std=0, add=780, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 780 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 20 HIS : no HE2:sc= -9.75! C(o=-8.5!,f=-11!) USER MOD Set 1.2: A 83 TYR OH : rot 0:sc= 1.25 USER MOD Set 2.1: A 58 ASN : amide:sc=-0.00811 X(o=-0.0081,f=-0.0077) USER MOD Set 2.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 GLN : amide:sc= -3.58! K(o=-3.5!,f=-5.5) USER MOD Set 3.2: A 46 LYS NZ :NH3+ -169:sc= 0.0344 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00151 X(o=-0.0015,f=0) USER MOD Single : A 14 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -124:sc= -6.6! (180deg=-12.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 84:sc= 0.136 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.1!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -1.21 USER MOD Single : A 67 THR OG1 : rot 20:sc= 0.333 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -129:sc= -1.71! (180deg=-4.31!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN :FLIP amide:sc= 0.734 F(o=0,f=0.73) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 10 9.980 4.145 6.044 1.00 0.00 N ATOM 100 CA SER A 10 10.083 3.111 7.067 1.00 0.00 C ATOM 101 C SER A 10 9.291 3.498 8.312 1.00 0.00 C ATOM 102 O SER A 10 8.552 2.685 8.867 1.00 0.00 O ATOM 103 CB SER A 10 11.549 2.872 7.434 1.00 0.00 C ATOM 104 OG SER A 10 12.207 2.108 6.438 1.00 0.00 O ATOM 0 HA SER A 10 9.663 2.190 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.057 3.829 7.557 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.608 2.354 8.391 1.00 0.00 H new ATOM 0 HG SER A 10 13.143 1.971 6.696 1.00 0.00 H new ATOM 110 N GLN A 11 9.453 4.744 8.745 1.00 0.00 N ATOM 111 CA GLN A 11 8.754 5.239 9.925 1.00 0.00 C ATOM 112 C GLN A 11 7.246 5.059 9.780 1.00 0.00 C ATOM 113 O GLN A 11 6.535 4.881 10.769 1.00 0.00 O ATOM 114 CB GLN A 11 9.083 6.714 10.158 1.00 0.00 C ATOM 115 CG GLN A 11 10.441 6.940 10.803 1.00 0.00 C ATOM 116 CD GLN A 11 10.590 8.336 11.375 1.00 0.00 C ATOM 117 OE1 GLN A 11 11.348 9.155 10.853 1.00 0.00 O ATOM 118 NE2 GLN A 11 9.866 8.616 12.452 1.00 0.00 N ATOM 0 H GLN A 11 10.062 5.429 8.297 1.00 0.00 H new ATOM 0 HA GLN A 11 9.090 4.659 10.785 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.051 7.240 9.204 1.00 0.00 H new ATOM 0 HB3 GLN A 11 8.312 7.154 10.790 1.00 0.00 H new ATOM 0 HG2 GLN A 11 10.588 6.208 11.597 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.223 6.769 10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.251 7.907 12.851 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.925 9.540 12.880 1.00 0.00 H new ATOM 127 N ARG A 12 6.766 5.106 8.542 1.00 0.00 N ATOM 128 CA ARG A 12 5.343 4.950 8.268 1.00 0.00 C ATOM 129 C ARG A 12 4.897 3.511 8.513 1.00 0.00 C ATOM 130 O ARG A 12 5.679 2.567 8.408 1.00 0.00 O ATOM 131 CB ARG A 12 5.032 5.353 6.826 1.00 0.00 C ATOM 132 CG ARG A 12 5.410 6.789 6.500 1.00 0.00 C ATOM 133 CD ARG A 12 4.473 7.778 7.175 1.00 0.00 C ATOM 134 NE ARG A 12 5.135 9.048 7.464 1.00 0.00 N ATOM 135 CZ ARG A 12 5.273 10.024 6.574 1.00 0.00 C ATOM 136 NH1 ARG A 12 4.797 9.878 5.346 1.00 0.00 N ATOM 137 NH2 ARG A 12 5.887 11.151 6.913 1.00 0.00 N ATOM 0 H ARG A 12 7.342 5.251 7.713 1.00 0.00 H new ATOM 0 HA ARG A 12 4.794 5.603 8.947 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.562 4.684 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.967 5.216 6.641 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.434 6.979 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.382 6.938 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.610 7.956 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.096 7.346 8.102 1.00 0.00 H new ATOM 0 HE ARG A 12 5.512 9.193 8.401 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.323 9.014 5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.905 10.629 4.665 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.253 11.268 7.858 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.993 11.900 6.229 1.00 0.00 H new ATOM 151 N PRO A 13 3.609 3.340 8.849 1.00 0.00 N ATOM 152 CA PRO A 13 3.030 2.020 9.116 1.00 0.00 C ATOM 153 C PRO A 13 2.916 1.171 7.854 1.00 0.00 C ATOM 154 O PRO A 13 2.464 1.647 6.813 1.00 0.00 O ATOM 155 CB PRO A 13 1.640 2.347 9.667 1.00 0.00 C ATOM 156 CG PRO A 13 1.313 3.685 9.099 1.00 0.00 C ATOM 157 CD PRO A 13 2.620 4.421 8.993 1.00 0.00 C ATOM 0 HA PRO A 13 3.647 1.435 9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.908 1.599 9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.641 2.369 10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.839 3.589 8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.614 4.221 9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.633 5.095 8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.813 5.027 9.878 1.00 0.00 H new ATOM 165 N TYR A 14 3.329 -0.088 7.955 1.00 0.00 N ATOM 166 CA TYR A 14 3.275 -1.003 6.821 1.00 0.00 C ATOM 167 C TYR A 14 1.964 -0.846 6.056 1.00 0.00 C ATOM 168 O TYR A 14 1.956 -0.458 4.888 1.00 0.00 O ATOM 169 CB TYR A 14 3.432 -2.448 7.297 1.00 0.00 C ATOM 170 CG TYR A 14 3.939 -3.387 6.225 1.00 0.00 C ATOM 171 CD1 TYR A 14 5.119 -3.119 5.542 1.00 0.00 C ATOM 172 CD2 TYR A 14 3.239 -4.540 5.896 1.00 0.00 C ATOM 173 CE1 TYR A 14 5.587 -3.973 4.562 1.00 0.00 C ATOM 174 CE2 TYR A 14 3.699 -5.401 4.918 1.00 0.00 C ATOM 175 CZ TYR A 14 4.874 -5.113 4.254 1.00 0.00 C ATOM 176 OH TYR A 14 5.335 -5.967 3.279 1.00 0.00 O ATOM 0 H TYR A 14 3.705 -0.498 8.810 1.00 0.00 H new ATOM 0 HA TYR A 14 4.098 -0.758 6.149 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.119 -2.470 8.143 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.469 -2.809 7.659 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.680 -2.228 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.319 -4.768 6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.506 -3.749 4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.142 -6.294 4.675 1.00 0.00 H new ATOM 0 HH TYR A 14 4.864 -6.824 3.345 1.00 0.00 H new ATOM 186 N ARG A 15 0.857 -1.151 6.725 1.00 0.00 N ATOM 187 CA ARG A 15 -0.461 -1.045 6.111 1.00 0.00 C ATOM 188 C ARG A 15 -0.506 0.111 5.116 1.00 0.00 C ATOM 189 O ARG A 15 -0.863 -0.072 3.952 1.00 0.00 O ATOM 190 CB ARG A 15 -1.534 -0.850 7.184 1.00 0.00 C ATOM 191 CG ARG A 15 -2.814 -0.222 6.658 1.00 0.00 C ATOM 192 CD ARG A 15 -3.803 0.050 7.780 1.00 0.00 C ATOM 193 NE ARG A 15 -3.628 1.383 8.353 1.00 0.00 N ATOM 194 CZ ARG A 15 -4.249 1.799 9.450 1.00 0.00 C ATOM 195 NH1 ARG A 15 -5.082 0.991 10.091 1.00 0.00 N ATOM 196 NH2 ARG A 15 -4.038 3.026 9.909 1.00 0.00 N ATOM 0 H ARG A 15 0.847 -1.474 7.693 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.659 -1.973 5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.770 -1.816 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.131 -0.222 7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.579 0.710 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.270 -0.885 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.819 -0.050 7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.680 -0.700 8.562 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.994 2.029 7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.247 0.047 9.741 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.558 1.313 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.398 3.651 9.419 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.516 3.344 10.752 1.00 0.00 H new ATOM 210 N ASP A 16 -0.141 1.300 5.582 1.00 0.00 N ATOM 211 CA ASP A 16 -0.139 2.487 4.734 1.00 0.00 C ATOM 212 C ASP A 16 0.703 2.258 3.483 1.00 0.00 C ATOM 213 O ASP A 16 0.212 2.380 2.361 1.00 0.00 O ATOM 214 CB ASP A 16 0.393 3.693 5.509 1.00 0.00 C ATOM 215 CG ASP A 16 -0.651 4.298 6.427 1.00 0.00 C ATOM 216 OD1 ASP A 16 -1.226 3.550 7.246 1.00 0.00 O ATOM 217 OD2 ASP A 16 -0.892 5.519 6.329 1.00 0.00 O ATOM 0 H ASP A 16 0.158 1.468 6.543 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.166 2.687 4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.258 3.390 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.736 4.451 4.805 1.00 0.00 H new ATOM 222 N ARG A 17 1.975 1.928 3.684 1.00 0.00 N ATOM 223 CA ARG A 17 2.886 1.685 2.572 1.00 0.00 C ATOM 224 C ARG A 17 2.265 0.727 1.559 1.00 0.00 C ATOM 225 O ARG A 17 2.525 0.821 0.360 1.00 0.00 O ATOM 226 CB ARG A 17 4.209 1.113 3.085 1.00 0.00 C ATOM 227 CG ARG A 17 4.907 2.007 4.097 1.00 0.00 C ATOM 228 CD ARG A 17 5.907 1.226 4.934 1.00 0.00 C ATOM 229 NE ARG A 17 7.204 1.112 4.273 1.00 0.00 N ATOM 230 CZ ARG A 17 8.277 0.578 4.846 1.00 0.00 C ATOM 231 NH1 ARG A 17 8.208 0.111 6.085 1.00 0.00 N ATOM 232 NH2 ARG A 17 9.422 0.510 4.180 1.00 0.00 N ATOM 0 H ARG A 17 2.398 1.823 4.606 1.00 0.00 H new ATOM 0 HA ARG A 17 3.076 2.637 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.022 0.140 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 17 4.876 0.947 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.420 2.816 3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.165 2.467 4.750 1.00 0.00 H new ATOM 0 HD2 ARG A 17 6.034 1.717 5.899 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.513 0.229 5.133 1.00 0.00 H new ATOM 0 HE ARG A 17 7.291 1.462 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.329 0.161 6.601 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.033 -0.298 6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.479 0.868 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.245 0.100 4.621 1.00 0.00 H new ATOM 246 N VAL A 18 1.442 -0.194 2.051 1.00 0.00 N ATOM 247 CA VAL A 18 0.783 -1.169 1.189 1.00 0.00 C ATOM 248 C VAL A 18 -0.349 -0.525 0.397 1.00 0.00 C ATOM 249 O VAL A 18 -0.286 -0.430 -0.829 1.00 0.00 O ATOM 250 CB VAL A 18 0.219 -2.347 2.005 1.00 0.00 C ATOM 251 CG1 VAL A 18 -0.489 -3.338 1.092 1.00 0.00 C ATOM 252 CG2 VAL A 18 1.328 -3.032 2.789 1.00 0.00 C ATOM 0 H VAL A 18 1.216 -0.285 3.041 1.00 0.00 H new ATOM 0 HA VAL A 18 1.538 -1.544 0.498 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.510 -1.958 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.881 -4.164 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.310 -2.838 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.217 -3.723 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.911 -3.862 3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.082 -3.409 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.786 -2.316 3.472 1.00 0.00 H new ATOM 262 N ILE A 19 -1.383 -0.083 1.105 1.00 0.00 N ATOM 263 CA ILE A 19 -2.529 0.553 0.468 1.00 0.00 C ATOM 264 C ILE A 19 -2.084 1.652 -0.491 1.00 0.00 C ATOM 265 O ILE A 19 -2.611 1.777 -1.597 1.00 0.00 O ATOM 266 CB ILE A 19 -3.490 1.155 1.510 1.00 0.00 C ATOM 267 CG1 ILE A 19 -2.799 2.278 2.285 1.00 0.00 C ATOM 268 CG2 ILE A 19 -3.985 0.074 2.460 1.00 0.00 C ATOM 269 CD1 ILE A 19 -3.662 2.883 3.370 1.00 0.00 C ATOM 0 H ILE A 19 -1.450 -0.154 2.120 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.052 -0.224 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.350 1.576 0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.885 1.890 2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.504 3.062 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.663 0.515 3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.511 -0.695 1.894 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.136 -0.373 2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.108 3.672 3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.565 3.302 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.936 2.111 4.090 1.00 0.00 H new ATOM 281 N HIS A 20 -1.108 2.447 -0.061 1.00 0.00 N ATOM 282 CA HIS A 20 -0.590 3.535 -0.883 1.00 0.00 C ATOM 283 C HIS A 20 -0.134 3.018 -2.244 1.00 0.00 C ATOM 284 O HIS A 20 -0.134 3.754 -3.231 1.00 0.00 O ATOM 285 CB HIS A 20 0.572 4.229 -0.172 1.00 0.00 C ATOM 286 CG HIS A 20 0.137 5.289 0.793 1.00 0.00 C ATOM 287 ND1 HIS A 20 0.209 5.136 2.161 1.00 0.00 N ATOM 288 CD2 HIS A 20 -0.376 6.523 0.580 1.00 0.00 C ATOM 289 CE1 HIS A 20 -0.242 6.230 2.748 1.00 0.00 C ATOM 290 NE2 HIS A 20 -0.603 7.087 1.811 1.00 0.00 N ATOM 0 H HIS A 20 -0.661 2.358 0.851 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.393 4.255 -1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.159 3.482 0.362 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.229 4.676 -0.918 1.00 0.00 H new ATOM 0 HD1 HIS A 20 0.556 4.308 2.644 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.571 6.979 -0.379 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.305 6.395 3.813 1.00 0.00 H new ATOM 298 N LEU A 21 0.255 1.748 -2.289 1.00 0.00 N ATOM 299 CA LEU A 21 0.714 1.133 -3.529 1.00 0.00 C ATOM 300 C LEU A 21 -0.453 0.525 -4.301 1.00 0.00 C ATOM 301 O LEU A 21 -0.545 0.665 -5.521 1.00 0.00 O ATOM 302 CB LEU A 21 1.759 0.056 -3.231 1.00 0.00 C ATOM 303 CG LEU A 21 3.132 0.558 -2.785 1.00 0.00 C ATOM 304 CD1 LEU A 21 4.003 -0.602 -2.328 1.00 0.00 C ATOM 305 CD2 LEU A 21 3.811 1.325 -3.910 1.00 0.00 C ATOM 0 H LEU A 21 0.262 1.125 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 21 1.167 1.910 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.364 -0.600 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.890 -0.552 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 21 2.993 1.235 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.976 -0.225 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.524 -1.109 -1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.134 -1.305 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.787 1.675 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.937 0.670 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.196 2.180 -4.190 1.00 0.00 H new ATOM 317 N LEU A 22 -1.344 -0.148 -3.581 1.00 0.00 N ATOM 318 CA LEU A 22 -2.508 -0.775 -4.197 1.00 0.00 C ATOM 319 C LEU A 22 -3.435 0.274 -4.805 1.00 0.00 C ATOM 320 O LEU A 22 -4.096 0.023 -5.812 1.00 0.00 O ATOM 321 CB LEU A 22 -3.270 -1.608 -3.165 1.00 0.00 C ATOM 322 CG LEU A 22 -2.602 -2.913 -2.730 1.00 0.00 C ATOM 323 CD1 LEU A 22 -3.214 -3.421 -1.434 1.00 0.00 C ATOM 324 CD2 LEU A 22 -2.719 -3.963 -3.826 1.00 0.00 C ATOM 0 H LEU A 22 -1.283 -0.273 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.157 -1.429 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.432 -0.993 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.253 -1.845 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.544 -2.716 -2.554 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.726 -4.350 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.077 -2.676 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.279 -3.601 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.238 -4.885 -3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.771 -4.156 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.231 -3.600 -4.731 1.00 0.00 H new ATOM 336 N ALA A 23 -3.475 1.449 -4.186 1.00 0.00 N ATOM 337 CA ALA A 23 -4.316 2.537 -4.668 1.00 0.00 C ATOM 338 C ALA A 23 -4.108 2.774 -6.160 1.00 0.00 C ATOM 339 O ALA A 23 -4.989 2.491 -6.973 1.00 0.00 O ATOM 340 CB ALA A 23 -4.032 3.811 -3.885 1.00 0.00 C ATOM 0 H ALA A 23 -2.935 1.672 -3.350 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.357 2.253 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.667 4.615 -4.256 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.240 3.643 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.985 4.089 -4.009 1.00 0.00 H new ATOM 346 N LEU A 24 -2.937 3.294 -6.514 1.00 0.00 N ATOM 347 CA LEU A 24 -2.613 3.568 -7.909 1.00 0.00 C ATOM 348 C LEU A 24 -3.154 2.471 -8.821 1.00 0.00 C ATOM 349 O LEU A 24 -3.740 2.751 -9.866 1.00 0.00 O ATOM 350 CB LEU A 24 -1.099 3.694 -8.086 1.00 0.00 C ATOM 351 CG LEU A 24 -0.404 4.733 -7.206 1.00 0.00 C ATOM 352 CD1 LEU A 24 1.104 4.673 -7.398 1.00 0.00 C ATOM 353 CD2 LEU A 24 -0.927 6.128 -7.513 1.00 0.00 C ATOM 0 H LEU A 24 -2.197 3.534 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.085 4.510 -8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.648 2.721 -7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.894 3.935 -9.129 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.626 4.505 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.582 5.420 -6.764 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.466 3.681 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.346 4.875 -8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.421 6.854 -6.877 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.736 6.366 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.000 6.164 -7.323 1.00 0.00 H new ATOM 365 N LYS A 25 -2.954 1.222 -8.416 1.00 0.00 N ATOM 366 CA LYS A 25 -3.425 0.081 -9.193 1.00 0.00 C ATOM 367 C LYS A 25 -3.352 -1.203 -8.373 1.00 0.00 C ATOM 368 O LYS A 25 -2.710 -1.245 -7.324 1.00 0.00 O ATOM 369 CB LYS A 25 -2.595 -0.069 -10.470 1.00 0.00 C ATOM 370 CG LYS A 25 -1.255 -0.748 -10.248 1.00 0.00 C ATOM 371 CD LYS A 25 -0.606 -1.146 -11.564 1.00 0.00 C ATOM 372 CE LYS A 25 0.574 -2.080 -11.344 1.00 0.00 C ATOM 373 NZ LYS A 25 1.343 -2.307 -12.599 1.00 0.00 N ATOM 0 H LYS A 25 -2.469 0.974 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.466 0.261 -9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.167 -0.642 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.426 0.918 -10.901 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.592 -0.076 -9.703 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.393 -1.633 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.343 -1.634 -12.202 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.271 -0.252 -12.090 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.234 -1.659 -10.585 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.215 -3.035 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.139 -2.949 -12.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.720 -2.732 -13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.708 -1.399 -12.952 1.00 0.00 H new ATOM 387 N ALA A 26 -4.012 -2.249 -8.860 1.00 0.00 N ATOM 388 CA ALA A 26 -4.019 -3.535 -8.174 1.00 0.00 C ATOM 389 C ALA A 26 -2.645 -4.195 -8.231 1.00 0.00 C ATOM 390 O ALA A 26 -1.986 -4.190 -9.271 1.00 0.00 O ATOM 391 CB ALA A 26 -5.072 -4.451 -8.779 1.00 0.00 C ATOM 0 H ALA A 26 -4.549 -2.231 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.266 -3.359 -7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.066 -5.408 -8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.055 -3.990 -8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.851 -4.612 -9.834 1.00 0.00 H new ATOM 397 N TYR A 27 -2.219 -4.761 -7.108 1.00 0.00 N ATOM 398 CA TYR A 27 -0.922 -5.422 -7.029 1.00 0.00 C ATOM 399 C TYR A 27 -1.070 -6.853 -6.522 1.00 0.00 C ATOM 400 O TYR A 27 -2.034 -7.184 -5.831 1.00 0.00 O ATOM 401 CB TYR A 27 0.019 -4.639 -6.113 1.00 0.00 C ATOM 402 CG TYR A 27 0.837 -3.593 -6.836 1.00 0.00 C ATOM 403 CD1 TYR A 27 0.282 -2.370 -7.190 1.00 0.00 C ATOM 404 CD2 TYR A 27 2.167 -3.828 -7.165 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.025 -1.412 -7.852 1.00 0.00 C ATOM 406 CE2 TYR A 27 2.919 -2.876 -7.825 1.00 0.00 C ATOM 407 CZ TYR A 27 2.343 -1.670 -8.167 1.00 0.00 C ATOM 408 OH TYR A 27 3.088 -0.718 -8.825 1.00 0.00 O ATOM 0 H TYR A 27 -2.753 -4.775 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.497 -5.453 -8.032 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.568 -4.154 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.694 -5.337 -5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.749 -2.164 -6.943 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.620 -4.772 -6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.577 -0.467 -8.121 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.952 -3.074 -8.072 1.00 0.00 H new ATOM 0 HH TYR A 27 3.996 -1.056 -8.971 1.00 0.00 H new ATOM 418 N LYS A 28 -0.106 -7.700 -6.868 1.00 0.00 N ATOM 419 CA LYS A 28 -0.125 -9.096 -6.447 1.00 0.00 C ATOM 420 C LYS A 28 0.704 -9.294 -5.182 1.00 0.00 C ATOM 421 O LYS A 28 1.612 -8.514 -4.894 1.00 0.00 O ATOM 422 CB LYS A 28 0.408 -9.994 -7.566 1.00 0.00 C ATOM 423 CG LYS A 28 -0.386 -9.896 -8.856 1.00 0.00 C ATOM 424 CD LYS A 28 0.162 -8.810 -9.767 1.00 0.00 C ATOM 425 CE LYS A 28 -0.735 -8.591 -10.976 1.00 0.00 C ATOM 426 NZ LYS A 28 0.012 -8.002 -12.122 1.00 0.00 N ATOM 0 H LYS A 28 0.699 -7.443 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.157 -9.371 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.446 -9.731 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.402 -11.029 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.360 -10.855 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.431 -9.687 -8.626 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.256 -7.879 -9.209 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.163 -9.084 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.174 -9.541 -11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.559 -7.932 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.634 -7.868 -12.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.410 -7.083 -11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.783 -8.643 -12.400 1.00 0.00 H new ATOM 440 N LYS A 29 0.387 -10.343 -4.432 1.00 0.00 N ATOM 441 CA LYS A 29 1.104 -10.647 -3.198 1.00 0.00 C ATOM 442 C LYS A 29 2.605 -10.449 -3.379 1.00 0.00 C ATOM 443 O LYS A 29 3.250 -9.701 -2.644 1.00 0.00 O ATOM 444 CB LYS A 29 0.818 -12.084 -2.758 1.00 0.00 C ATOM 445 CG LYS A 29 1.859 -12.648 -1.808 1.00 0.00 C ATOM 446 CD LYS A 29 1.447 -12.464 -0.357 1.00 0.00 C ATOM 447 CE LYS A 29 1.946 -11.140 0.201 1.00 0.00 C ATOM 448 NZ LYS A 29 1.716 -11.034 1.668 1.00 0.00 N ATOM 0 H LYS A 29 -0.362 -10.998 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 29 0.755 -9.961 -2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.159 -12.120 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.761 -12.721 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.005 -13.708 -2.014 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.816 -12.155 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.361 -12.507 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.843 -13.285 0.241 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.011 -11.036 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.440 -10.318 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.162 -10.178 1.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.195 -11.871 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.631 -10.979 2.160 1.00 0.00 H new ATOM 462 N PRO A 30 3.177 -11.133 -4.381 1.00 0.00 N ATOM 463 CA PRO A 30 4.609 -11.047 -4.683 1.00 0.00 C ATOM 464 C PRO A 30 5.000 -9.689 -5.257 1.00 0.00 C ATOM 465 O PRO A 30 5.938 -9.051 -4.780 1.00 0.00 O ATOM 466 CB PRO A 30 4.819 -12.148 -5.725 1.00 0.00 C ATOM 467 CG PRO A 30 3.487 -12.318 -6.370 1.00 0.00 C ATOM 468 CD PRO A 30 2.469 -12.043 -5.297 1.00 0.00 C ATOM 0 HA PRO A 30 5.221 -11.165 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.578 -11.864 -6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.155 -13.075 -5.260 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.368 -11.630 -7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.372 -13.326 -6.768 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.569 -11.583 -5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.158 -12.958 -4.794 1.00 0.00 H new ATOM 476 N GLU A 31 4.274 -9.253 -6.281 1.00 0.00 N ATOM 477 CA GLU A 31 4.546 -7.971 -6.919 1.00 0.00 C ATOM 478 C GLU A 31 4.560 -6.844 -5.891 1.00 0.00 C ATOM 479 O GLU A 31 5.594 -6.219 -5.651 1.00 0.00 O ATOM 480 CB GLU A 31 3.500 -7.680 -7.997 1.00 0.00 C ATOM 481 CG GLU A 31 3.919 -6.594 -8.975 1.00 0.00 C ATOM 482 CD GLU A 31 3.081 -6.592 -10.238 1.00 0.00 C ATOM 483 OE1 GLU A 31 3.369 -7.401 -11.144 1.00 0.00 O ATOM 484 OE2 GLU A 31 2.136 -5.779 -10.321 1.00 0.00 O ATOM 0 H GLU A 31 3.493 -9.769 -6.686 1.00 0.00 H new ATOM 0 HA GLU A 31 5.530 -8.028 -7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.296 -8.597 -8.550 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.568 -7.384 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.839 -5.622 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.967 -6.733 -9.239 1.00 0.00 H new ATOM 491 N LEU A 32 3.405 -6.589 -5.286 1.00 0.00 N ATOM 492 CA LEU A 32 3.282 -5.537 -4.283 1.00 0.00 C ATOM 493 C LEU A 32 4.555 -5.427 -3.451 1.00 0.00 C ATOM 494 O LEU A 32 5.061 -4.329 -3.212 1.00 0.00 O ATOM 495 CB LEU A 32 2.085 -5.811 -3.371 1.00 0.00 C ATOM 496 CG LEU A 32 1.390 -4.581 -2.788 1.00 0.00 C ATOM 497 CD1 LEU A 32 0.346 -4.994 -1.761 1.00 0.00 C ATOM 498 CD2 LEU A 32 2.409 -3.637 -2.165 1.00 0.00 C ATOM 0 H LEU A 32 2.540 -7.097 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 32 3.126 -4.591 -4.802 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.350 -6.387 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.419 -6.440 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 32 0.885 -4.055 -3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.138 -4.105 -1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.401 -5.630 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.828 -5.544 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.896 -2.767 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.943 -4.153 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.119 -3.314 -2.926 1.00 0.00 H new ATOM 510 N LEU A 33 5.070 -6.570 -3.013 1.00 0.00 N ATOM 511 CA LEU A 33 6.287 -6.603 -2.209 1.00 0.00 C ATOM 512 C LEU A 33 7.455 -5.973 -2.961 1.00 0.00 C ATOM 513 O LEU A 33 8.081 -5.031 -2.478 1.00 0.00 O ATOM 514 CB LEU A 33 6.630 -8.044 -1.826 1.00 0.00 C ATOM 515 CG LEU A 33 5.892 -8.610 -0.612 1.00 0.00 C ATOM 516 CD1 LEU A 33 5.912 -10.131 -0.636 1.00 0.00 C ATOM 517 CD2 LEU A 33 6.506 -8.087 0.678 1.00 0.00 C ATOM 0 H LEU A 33 4.664 -7.487 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 33 6.109 -6.025 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.424 -8.685 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.701 -8.103 -1.635 1.00 0.00 H new ATOM 0 HG LEU A 33 4.854 -8.280 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.382 -10.516 0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.424 -10.487 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.944 -10.482 -0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.968 -8.500 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.553 -8.386 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.438 -6.999 0.699 1.00 0.00 H new ATOM 529 N ALA A 34 7.740 -6.500 -4.148 1.00 0.00 N ATOM 530 CA ALA A 34 8.829 -5.986 -4.969 1.00 0.00 C ATOM 531 C ALA A 34 8.929 -4.468 -4.862 1.00 0.00 C ATOM 532 O ALA A 34 10.012 -3.898 -4.990 1.00 0.00 O ATOM 533 CB ALA A 34 8.638 -6.404 -6.420 1.00 0.00 C ATOM 0 H ALA A 34 7.232 -7.282 -4.562 1.00 0.00 H new ATOM 0 HA ALA A 34 9.762 -6.411 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.458 -6.013 -7.022 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.625 -7.492 -6.487 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.694 -6.006 -6.792 1.00 0.00 H new ATOM 539 N ARG A 35 7.792 -3.820 -4.628 1.00 0.00 N ATOM 540 CA ARG A 35 7.752 -2.368 -4.506 1.00 0.00 C ATOM 541 C ARG A 35 8.221 -1.925 -3.123 1.00 0.00 C ATOM 542 O ARG A 35 9.055 -1.027 -2.996 1.00 0.00 O ATOM 543 CB ARG A 35 6.335 -1.853 -4.765 1.00 0.00 C ATOM 544 CG ARG A 35 6.065 -1.522 -6.223 1.00 0.00 C ATOM 545 CD ARG A 35 6.767 -0.240 -6.643 1.00 0.00 C ATOM 546 NE ARG A 35 6.446 0.134 -8.018 1.00 0.00 N ATOM 547 CZ ARG A 35 6.796 1.293 -8.565 1.00 0.00 C ATOM 548 NH1 ARG A 35 7.473 2.187 -7.857 1.00 0.00 N ATOM 549 NH2 ARG A 35 6.468 1.561 -9.823 1.00 0.00 N ATOM 0 H ARG A 35 6.887 -4.278 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 35 8.427 -1.947 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.618 -2.604 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.165 -0.961 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.402 -2.346 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.991 -1.419 -6.381 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.479 0.568 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.845 -0.368 -6.544 1.00 0.00 H new ATOM 0 HE ARG A 35 5.925 -0.531 -8.589 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.726 1.986 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.740 3.076 -8.280 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.947 0.877 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.737 2.451 -10.242 1.00 0.00 H new ATOM 563 N LEU A 36 7.681 -2.561 -2.089 1.00 0.00 N ATOM 564 CA LEU A 36 8.043 -2.233 -0.715 1.00 0.00 C ATOM 565 C LEU A 36 9.440 -2.749 -0.382 1.00 0.00 C ATOM 566 O LEU A 36 10.302 -1.991 0.061 1.00 0.00 O ATOM 567 CB LEU A 36 7.023 -2.825 0.258 1.00 0.00 C ATOM 568 CG LEU A 36 5.601 -2.270 0.161 1.00 0.00 C ATOM 569 CD1 LEU A 36 4.593 -3.292 0.663 1.00 0.00 C ATOM 570 CD2 LEU A 36 5.482 -0.970 0.943 1.00 0.00 C ATOM 0 H LEU A 36 6.991 -3.307 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 36 8.043 -1.148 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.982 -3.903 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.385 -2.666 1.274 1.00 0.00 H new ATOM 0 HG LEU A 36 5.383 -2.061 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.587 -2.879 0.586 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.661 -4.197 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.807 -3.534 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.464 -0.589 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.720 -1.153 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.177 -0.236 0.536 1.00 0.00 H new ATOM 582 N GLN A 37 9.654 -4.042 -0.600 1.00 0.00 N ATOM 583 CA GLN A 37 10.947 -4.659 -0.325 1.00 0.00 C ATOM 584 C GLN A 37 12.088 -3.768 -0.805 1.00 0.00 C ATOM 585 O GLN A 37 13.152 -3.717 -0.187 1.00 0.00 O ATOM 586 CB GLN A 37 11.036 -6.029 -0.998 1.00 0.00 C ATOM 587 CG GLN A 37 10.325 -7.132 -0.229 1.00 0.00 C ATOM 588 CD GLN A 37 11.266 -7.926 0.656 1.00 0.00 C ATOM 589 OE1 GLN A 37 11.342 -9.151 0.558 1.00 0.00 O ATOM 590 NE2 GLN A 37 11.989 -7.231 1.526 1.00 0.00 N ATOM 0 H GLN A 37 8.950 -4.683 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 37 11.038 -4.786 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.609 -5.962 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 37 12.085 -6.299 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.539 -6.693 0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.840 -7.807 -0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 37 11.894 -6.217 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 37 12.640 -7.712 2.147 1.00 0.00 H new ATOM 599 N LYS A 38 11.860 -3.068 -1.911 1.00 0.00 N ATOM 600 CA LYS A 38 12.869 -2.178 -2.475 1.00 0.00 C ATOM 601 C LYS A 38 13.425 -1.241 -1.408 1.00 0.00 C ATOM 602 O LYS A 38 14.628 -1.229 -1.145 1.00 0.00 O ATOM 603 CB LYS A 38 12.273 -1.363 -3.625 1.00 0.00 C ATOM 604 CG LYS A 38 12.229 -2.114 -4.944 1.00 0.00 C ATOM 605 CD LYS A 38 11.107 -1.608 -5.837 1.00 0.00 C ATOM 606 CE LYS A 38 11.575 -0.467 -6.727 1.00 0.00 C ATOM 607 NZ LYS A 38 10.800 -0.401 -7.997 1.00 0.00 N ATOM 0 H LYS A 38 10.985 -3.100 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 38 13.686 -2.790 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.262 -1.058 -3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.857 -0.452 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.183 -2.003 -5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.092 -3.178 -4.753 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.736 -2.425 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.273 -1.272 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.475 0.477 -6.191 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.634 -0.594 -6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.149 0.389 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.916 -1.292 -8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.793 -0.254 -7.782 1.00 0.00 H new ATOM 621 N ASP A 39 12.543 -0.459 -0.796 1.00 0.00 N ATOM 622 CA ASP A 39 12.947 0.480 0.244 1.00 0.00 C ATOM 623 C ASP A 39 13.239 -0.250 1.552 1.00 0.00 C ATOM 624 O ASP A 39 13.834 0.313 2.470 1.00 0.00 O ATOM 625 CB ASP A 39 11.856 1.529 0.465 1.00 0.00 C ATOM 626 CG ASP A 39 11.979 2.701 -0.489 1.00 0.00 C ATOM 627 OD1 ASP A 39 13.061 3.323 -0.528 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.993 2.997 -1.196 1.00 0.00 O ATOM 0 H ASP A 39 11.544 -0.457 -1.002 1.00 0.00 H new ATOM 0 HA ASP A 39 13.859 0.978 -0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.878 1.064 0.341 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.908 1.892 1.491 1.00 0.00 H new ATOM 633 N GLY A 40 12.815 -1.508 1.628 1.00 0.00 N ATOM 634 CA GLY A 40 13.040 -2.295 2.827 1.00 0.00 C ATOM 635 C GLY A 40 11.749 -2.810 3.433 1.00 0.00 C ATOM 636 O GLY A 40 10.794 -2.054 3.613 1.00 0.00 O ATOM 0 H GLY A 40 12.320 -1.996 0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.688 -3.139 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.566 -1.688 3.563 1.00 0.00 H new ATOM 640 N VAL A 41 11.718 -4.102 3.746 1.00 0.00 N ATOM 641 CA VAL A 41 10.535 -4.718 4.334 1.00 0.00 C ATOM 642 C VAL A 41 10.916 -5.686 5.448 1.00 0.00 C ATOM 643 O VAL A 41 11.630 -6.660 5.220 1.00 0.00 O ATOM 644 CB VAL A 41 9.709 -5.471 3.274 1.00 0.00 C ATOM 645 CG1 VAL A 41 8.659 -6.348 3.939 1.00 0.00 C ATOM 646 CG2 VAL A 41 9.062 -4.490 2.308 1.00 0.00 C ATOM 0 H VAL A 41 12.499 -4.742 3.602 1.00 0.00 H new ATOM 0 HA VAL A 41 9.931 -3.911 4.749 1.00 0.00 H new ATOM 0 HB VAL A 41 10.380 -6.116 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.085 -6.872 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.149 -7.075 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.989 -5.726 4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.482 -5.039 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.403 -3.818 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.836 -3.909 1.807 1.00 0.00 H new ATOM 656 N ASN A 42 10.432 -5.410 6.655 1.00 0.00 N ATOM 657 CA ASN A 42 10.722 -6.257 7.807 1.00 0.00 C ATOM 658 C ASN A 42 10.084 -7.633 7.643 1.00 0.00 C ATOM 659 O ASN A 42 9.113 -7.794 6.904 1.00 0.00 O ATOM 660 CB ASN A 42 10.216 -5.598 9.091 1.00 0.00 C ATOM 661 CG ASN A 42 11.236 -4.654 9.697 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.423 -4.716 9.377 1.00 0.00 O ATOM 663 ND2 ASN A 42 10.777 -3.773 10.579 1.00 0.00 N ATOM 0 H ASN A 42 9.838 -4.607 6.861 1.00 0.00 H new ATOM 0 HA ASN A 42 11.803 -6.382 7.873 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.299 -5.049 8.877 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.963 -6.370 9.817 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.417 -3.113 11.020 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.785 -3.757 10.815 1.00 0.00 H new ATOM 670 N GLN A 43 10.638 -8.622 8.338 1.00 0.00 N ATOM 671 CA GLN A 43 10.123 -9.984 8.270 1.00 0.00 C ATOM 672 C GLN A 43 8.773 -10.092 8.972 1.00 0.00 C ATOM 673 O GLN A 43 7.836 -10.695 8.449 1.00 0.00 O ATOM 674 CB GLN A 43 11.118 -10.960 8.900 1.00 0.00 C ATOM 675 CG GLN A 43 11.068 -12.355 8.297 1.00 0.00 C ATOM 676 CD GLN A 43 12.272 -13.196 8.671 1.00 0.00 C ATOM 677 OE1 GLN A 43 12.308 -13.811 9.737 1.00 0.00 O ATOM 678 NE2 GLN A 43 13.268 -13.228 7.793 1.00 0.00 N ATOM 0 H GLN A 43 11.443 -8.505 8.954 1.00 0.00 H new ATOM 0 HA GLN A 43 9.987 -10.242 7.220 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.126 -10.561 8.788 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.919 -11.028 9.970 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.160 -12.858 8.630 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.008 -12.276 7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.197 -12.703 6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 43 14.104 -13.778 7.990 1.00 0.00 H new ATOM 687 N LYS A 44 8.681 -9.505 10.160 1.00 0.00 N ATOM 688 CA LYS A 44 7.446 -9.534 10.935 1.00 0.00 C ATOM 689 C LYS A 44 6.284 -8.966 10.127 1.00 0.00 C ATOM 690 O LYS A 44 5.133 -9.363 10.314 1.00 0.00 O ATOM 691 CB LYS A 44 7.615 -8.739 12.232 1.00 0.00 C ATOM 692 CG LYS A 44 8.617 -7.603 12.124 1.00 0.00 C ATOM 693 CD LYS A 44 10.013 -8.050 12.523 1.00 0.00 C ATOM 694 CE LYS A 44 10.263 -7.837 14.008 1.00 0.00 C ATOM 695 NZ LYS A 44 11.596 -8.353 14.426 1.00 0.00 N ATOM 0 H LYS A 44 9.448 -9.003 10.608 1.00 0.00 H new ATOM 0 HA LYS A 44 7.223 -10.573 11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.648 -8.332 12.527 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.931 -9.417 13.025 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.633 -7.227 11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.302 -6.777 12.762 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.142 -9.104 12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.753 -7.496 11.945 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.197 -6.774 14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.484 -8.337 14.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.728 -8.189 15.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.651 -9.373 14.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.342 -7.858 13.896 1.00 0.00 H new ATOM 709 N ASP A 45 6.592 -8.037 9.228 1.00 0.00 N ATOM 710 CA ASP A 45 5.573 -7.417 8.389 1.00 0.00 C ATOM 711 C ASP A 45 5.265 -8.288 7.175 1.00 0.00 C ATOM 712 O ASP A 45 4.117 -8.381 6.739 1.00 0.00 O ATOM 713 CB ASP A 45 6.030 -6.030 7.936 1.00 0.00 C ATOM 714 CG ASP A 45 5.966 -5.006 9.051 1.00 0.00 C ATOM 715 OD1 ASP A 45 6.943 -4.907 9.823 1.00 0.00 O ATOM 716 OD2 ASP A 45 4.940 -4.302 9.152 1.00 0.00 O ATOM 0 H ASP A 45 7.539 -7.697 9.062 1.00 0.00 H new ATOM 0 HA ASP A 45 4.663 -7.315 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 45 7.052 -6.092 7.562 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.406 -5.698 7.106 1.00 0.00 H new ATOM 721 N LYS A 46 6.298 -8.922 6.631 1.00 0.00 N ATOM 722 CA LYS A 46 6.140 -9.786 5.467 1.00 0.00 C ATOM 723 C LYS A 46 4.945 -10.718 5.640 1.00 0.00 C ATOM 724 O LYS A 46 4.175 -10.936 4.705 1.00 0.00 O ATOM 725 CB LYS A 46 7.411 -10.606 5.238 1.00 0.00 C ATOM 726 CG LYS A 46 8.443 -9.899 4.376 1.00 0.00 C ATOM 727 CD LYS A 46 9.728 -10.704 4.271 1.00 0.00 C ATOM 728 CE LYS A 46 10.470 -10.403 2.978 1.00 0.00 C ATOM 729 NZ LYS A 46 11.939 -10.593 3.125 1.00 0.00 N ATOM 0 H LYS A 46 7.255 -8.854 6.978 1.00 0.00 H new ATOM 0 HA LYS A 46 5.962 -9.153 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.858 -10.845 6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.143 -11.552 4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 46 8.034 -9.733 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 46 8.661 -8.918 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.371 -10.478 5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.497 -11.768 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.097 -11.052 2.186 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.265 -9.377 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.424 -10.204 2.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.269 -10.100 3.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.151 -11.608 3.207 1.00 0.00 H new ATOM 743 N ASN A 47 4.796 -11.266 6.842 1.00 0.00 N ATOM 744 CA ASN A 47 3.694 -12.175 7.137 1.00 0.00 C ATOM 745 C ASN A 47 2.379 -11.412 7.260 1.00 0.00 C ATOM 746 O ASN A 47 1.342 -11.860 6.771 1.00 0.00 O ATOM 747 CB ASN A 47 3.973 -12.945 8.429 1.00 0.00 C ATOM 748 CG ASN A 47 2.740 -13.650 8.959 1.00 0.00 C ATOM 749 OD1 ASN A 47 2.324 -14.680 8.430 1.00 0.00 O ATOM 750 ND2 ASN A 47 2.148 -13.095 10.011 1.00 0.00 N ATOM 0 H ASN A 47 5.424 -11.096 7.627 1.00 0.00 H new ATOM 0 HA ASN A 47 3.608 -12.882 6.312 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.759 -13.679 8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 47 4.348 -12.256 9.186 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.314 -13.524 10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.528 -12.240 10.418 1.00 0.00 H new ATOM 757 N SER A 48 2.429 -10.257 7.916 1.00 0.00 N ATOM 758 CA SER A 48 1.241 -9.434 8.106 1.00 0.00 C ATOM 759 C SER A 48 0.698 -8.946 6.767 1.00 0.00 C ATOM 760 O SER A 48 -0.509 -8.761 6.604 1.00 0.00 O ATOM 761 CB SER A 48 1.563 -8.238 9.005 1.00 0.00 C ATOM 762 OG SER A 48 2.036 -8.663 10.271 1.00 0.00 O ATOM 0 H SER A 48 3.280 -9.870 8.325 1.00 0.00 H new ATOM 0 HA SER A 48 0.478 -10.046 8.586 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.314 -7.610 8.525 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.671 -7.626 9.134 1.00 0.00 H new ATOM 0 HG SER A 48 2.997 -8.848 10.216 1.00 0.00 H new ATOM 768 N LEU A 49 1.596 -8.741 5.810 1.00 0.00 N ATOM 769 CA LEU A 49 1.209 -8.275 4.484 1.00 0.00 C ATOM 770 C LEU A 49 -0.003 -9.045 3.968 1.00 0.00 C ATOM 771 O LEU A 49 -1.086 -8.484 3.810 1.00 0.00 O ATOM 772 CB LEU A 49 2.376 -8.426 3.507 1.00 0.00 C ATOM 773 CG LEU A 49 2.320 -7.552 2.253 1.00 0.00 C ATOM 774 CD1 LEU A 49 3.184 -8.144 1.151 1.00 0.00 C ATOM 775 CD2 LEU A 49 0.883 -7.391 1.779 1.00 0.00 C ATOM 0 H LEU A 49 2.598 -8.890 5.928 1.00 0.00 H new ATOM 0 HA LEU A 49 0.942 -7.221 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.301 -8.203 4.040 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.431 -9.469 3.196 1.00 0.00 H new ATOM 0 HG LEU A 49 2.711 -6.566 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.132 -7.509 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.217 -8.206 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.823 -9.142 0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.862 -6.766 0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.465 -8.370 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.291 -6.921 2.564 1.00 0.00 H new ATOM 787 N GLY A 50 0.188 -10.335 3.710 1.00 0.00 N ATOM 788 CA GLY A 50 -0.898 -11.162 3.218 1.00 0.00 C ATOM 789 C GLY A 50 -2.197 -10.915 3.959 1.00 0.00 C ATOM 790 O GLY A 50 -3.278 -11.022 3.382 1.00 0.00 O ATOM 0 H GLY A 50 1.076 -10.822 3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.047 -10.967 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.623 -12.212 3.314 1.00 0.00 H new ATOM 794 N ALA A 51 -2.090 -10.585 5.242 1.00 0.00 N ATOM 795 CA ALA A 51 -3.265 -10.321 6.063 1.00 0.00 C ATOM 796 C ALA A 51 -3.805 -8.917 5.815 1.00 0.00 C ATOM 797 O ALA A 51 -5.017 -8.703 5.790 1.00 0.00 O ATOM 798 CB ALA A 51 -2.933 -10.509 7.536 1.00 0.00 C ATOM 0 H ALA A 51 -1.202 -10.494 5.735 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.040 -11.034 5.783 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.820 -10.309 8.137 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.603 -11.534 7.707 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.138 -9.820 7.821 1.00 0.00 H new ATOM 804 N ILE A 52 -2.897 -7.963 5.634 1.00 0.00 N ATOM 805 CA ILE A 52 -3.283 -6.579 5.389 1.00 0.00 C ATOM 806 C ILE A 52 -3.963 -6.430 4.032 1.00 0.00 C ATOM 807 O ILE A 52 -4.968 -5.730 3.902 1.00 0.00 O ATOM 808 CB ILE A 52 -2.066 -5.637 5.447 1.00 0.00 C ATOM 809 CG1 ILE A 52 -1.393 -5.721 6.818 1.00 0.00 C ATOM 810 CG2 ILE A 52 -2.489 -4.207 5.145 1.00 0.00 C ATOM 811 CD1 ILE A 52 -0.023 -5.081 6.859 1.00 0.00 C ATOM 0 H ILE A 52 -1.890 -8.123 5.652 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.984 -6.303 6.176 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.346 -5.950 4.691 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.032 -5.239 7.558 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.305 -6.768 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.618 -3.553 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.927 -4.160 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.225 -3.882 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.394 -5.178 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.632 -5.578 6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.107 -4.025 6.602 1.00 0.00 H new ATOM 823 N LEU A 53 -3.410 -7.095 3.023 1.00 0.00 N ATOM 824 CA LEU A 53 -3.964 -7.039 1.675 1.00 0.00 C ATOM 825 C LEU A 53 -5.461 -7.328 1.689 1.00 0.00 C ATOM 826 O LEU A 53 -6.222 -6.744 0.918 1.00 0.00 O ATOM 827 CB LEU A 53 -3.248 -8.040 0.766 1.00 0.00 C ATOM 828 CG LEU A 53 -1.907 -7.584 0.190 1.00 0.00 C ATOM 829 CD1 LEU A 53 -1.053 -8.784 -0.191 1.00 0.00 C ATOM 830 CD2 LEU A 53 -2.124 -6.678 -1.013 1.00 0.00 C ATOM 0 H LEU A 53 -2.579 -7.679 3.113 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.811 -6.032 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.085 -8.959 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.912 -8.287 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.378 -7.017 0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.103 -8.439 -0.599 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.868 -9.395 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.575 -9.379 -0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.159 -6.363 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.673 -7.220 -1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.695 -5.801 -0.709 1.00 0.00 H new ATOM 842 N GLN A 54 -5.876 -8.231 2.571 1.00 0.00 N ATOM 843 CA GLN A 54 -7.283 -8.596 2.686 1.00 0.00 C ATOM 844 C GLN A 54 -8.011 -7.662 3.647 1.00 0.00 C ATOM 845 O GLN A 54 -9.239 -7.580 3.636 1.00 0.00 O ATOM 846 CB GLN A 54 -7.419 -10.043 3.163 1.00 0.00 C ATOM 847 CG GLN A 54 -8.804 -10.383 3.689 1.00 0.00 C ATOM 848 CD GLN A 54 -9.140 -11.854 3.544 1.00 0.00 C ATOM 849 OE1 GLN A 54 -8.278 -12.718 3.706 1.00 0.00 O ATOM 850 NE2 GLN A 54 -10.398 -12.147 3.235 1.00 0.00 N ATOM 0 H GLN A 54 -5.258 -8.723 3.216 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.738 -8.501 1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.179 -10.713 2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.686 -10.228 3.948 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.868 -10.102 4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.547 -9.790 3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.080 -11.399 3.110 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.682 -13.120 3.123 1.00 0.00 H new ATOM 859 N GLN A 55 -7.245 -6.959 4.475 1.00 0.00 N ATOM 860 CA GLN A 55 -7.819 -6.031 5.443 1.00 0.00 C ATOM 861 C GLN A 55 -8.023 -4.654 4.821 1.00 0.00 C ATOM 862 O GLN A 55 -8.856 -3.871 5.279 1.00 0.00 O ATOM 863 CB GLN A 55 -6.915 -5.920 6.672 1.00 0.00 C ATOM 864 CG GLN A 55 -6.857 -7.193 7.501 1.00 0.00 C ATOM 865 CD GLN A 55 -7.958 -7.264 8.540 1.00 0.00 C ATOM 866 OE1 GLN A 55 -7.906 -6.582 9.564 1.00 0.00 O ATOM 867 NE2 GLN A 55 -8.963 -8.092 8.282 1.00 0.00 N ATOM 0 H GLN A 55 -6.227 -7.014 4.495 1.00 0.00 H new ATOM 0 HA GLN A 55 -8.791 -6.419 5.749 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.907 -5.660 6.349 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.269 -5.103 7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.931 -8.056 6.840 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.889 -7.254 7.998 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.965 -8.638 7.421 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.733 -8.182 8.945 1.00 0.00 H new ATOM 876 N VAL A 56 -7.256 -4.362 3.775 1.00 0.00 N ATOM 877 CA VAL A 56 -7.353 -3.079 3.089 1.00 0.00 C ATOM 878 C VAL A 56 -7.675 -3.269 1.611 1.00 0.00 C ATOM 879 O VAL A 56 -8.217 -2.374 0.964 1.00 0.00 O ATOM 880 CB VAL A 56 -6.048 -2.273 3.220 1.00 0.00 C ATOM 881 CG1 VAL A 56 -5.702 -2.051 4.685 1.00 0.00 C ATOM 882 CG2 VAL A 56 -4.911 -2.979 2.497 1.00 0.00 C ATOM 0 H VAL A 56 -6.560 -4.997 3.384 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.162 -2.525 3.565 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.195 -1.299 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -4.777 -1.480 4.758 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.508 -1.500 5.170 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.573 -3.014 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.996 -2.395 2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.762 -3.967 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.159 -3.081 1.441 1.00 0.00 H new ATOM 892 N ALA A 57 -7.337 -4.441 1.083 1.00 0.00 N ATOM 893 CA ALA A 57 -7.592 -4.749 -0.318 1.00 0.00 C ATOM 894 C ALA A 57 -8.396 -6.037 -0.460 1.00 0.00 C ATOM 895 O ALA A 57 -8.693 -6.706 0.529 1.00 0.00 O ATOM 896 CB ALA A 57 -6.280 -4.857 -1.082 1.00 0.00 C ATOM 0 H ALA A 57 -6.886 -5.192 1.605 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.181 -3.935 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.486 -5.087 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.743 -3.911 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.671 -5.650 -0.649 1.00 0.00 H new ATOM 902 N ASN A 58 -8.745 -6.379 -1.696 1.00 0.00 N ATOM 903 CA ASN A 58 -9.517 -7.587 -1.966 1.00 0.00 C ATOM 904 C ASN A 58 -8.834 -8.442 -3.029 1.00 0.00 C ATOM 905 O ASN A 58 -8.488 -7.954 -4.106 1.00 0.00 O ATOM 906 CB ASN A 58 -10.932 -7.223 -2.419 1.00 0.00 C ATOM 907 CG ASN A 58 -11.739 -6.560 -1.320 1.00 0.00 C ATOM 908 OD1 ASN A 58 -11.906 -7.118 -0.235 1.00 0.00 O ATOM 909 ND2 ASN A 58 -12.245 -5.363 -1.596 1.00 0.00 N ATOM 0 H ASN A 58 -8.506 -5.837 -2.526 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.576 -8.164 -1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.875 -6.554 -3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.447 -8.124 -2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.797 -4.869 -0.895 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.081 -4.938 -2.509 1.00 0.00 H new ATOM 916 N LEU A 59 -8.643 -9.719 -2.720 1.00 0.00 N ATOM 917 CA LEU A 59 -8.002 -10.644 -3.648 1.00 0.00 C ATOM 918 C LEU A 59 -8.982 -11.101 -4.725 1.00 0.00 C ATOM 919 O LEU A 59 -10.119 -11.465 -4.429 1.00 0.00 O ATOM 920 CB LEU A 59 -7.453 -11.856 -2.894 1.00 0.00 C ATOM 921 CG LEU A 59 -6.255 -12.558 -3.535 1.00 0.00 C ATOM 922 CD1 LEU A 59 -5.885 -13.806 -2.748 1.00 0.00 C ATOM 923 CD2 LEU A 59 -6.554 -12.909 -4.985 1.00 0.00 C ATOM 0 H LEU A 59 -8.923 -10.138 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.177 -10.121 -4.132 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.168 -11.537 -1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.257 -12.583 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.406 -11.875 -3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.031 -14.293 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.627 -13.528 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.732 -14.492 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.690 -13.408 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.417 -13.573 -5.028 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.769 -11.998 -5.543 1.00 0.00 H new ATOM 935 N ASN A 60 -8.531 -11.081 -5.975 1.00 0.00 N ATOM 936 CA ASN A 60 -9.367 -11.495 -7.096 1.00 0.00 C ATOM 937 C ASN A 60 -8.842 -12.785 -7.718 1.00 0.00 C ATOM 938 O ASN A 60 -7.871 -12.771 -8.474 1.00 0.00 O ATOM 939 CB ASN A 60 -9.422 -10.390 -8.153 1.00 0.00 C ATOM 940 CG ASN A 60 -10.712 -10.416 -8.949 1.00 0.00 C ATOM 941 OD1 ASN A 60 -11.710 -10.993 -8.517 1.00 0.00 O ATOM 942 ND2 ASN A 60 -10.698 -9.787 -10.119 1.00 0.00 N ATOM 0 H ASN A 60 -7.592 -10.783 -6.237 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.373 -11.678 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.318 -9.420 -7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.577 -10.498 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.537 -9.769 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.848 -9.322 -10.438 1.00 0.00 H new ATOM 949 N SER A 61 -9.493 -13.898 -7.396 1.00 0.00 N ATOM 950 CA SER A 61 -9.090 -15.198 -7.920 1.00 0.00 C ATOM 951 C SER A 61 -8.805 -15.115 -9.417 1.00 0.00 C ATOM 952 O SER A 61 -7.900 -15.776 -9.926 1.00 0.00 O ATOM 953 CB SER A 61 -10.180 -16.239 -7.654 1.00 0.00 C ATOM 954 OG SER A 61 -9.816 -17.504 -8.179 1.00 0.00 O ATOM 0 H SER A 61 -10.302 -13.926 -6.775 1.00 0.00 H new ATOM 0 HA SER A 61 -8.176 -15.501 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.353 -16.323 -6.581 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.118 -15.911 -8.103 1.00 0.00 H new ATOM 0 HG SER A 61 -10.528 -18.152 -7.995 1.00 0.00 H new ATOM 960 N LYS A 62 -9.585 -14.298 -10.117 1.00 0.00 N ATOM 961 CA LYS A 62 -9.418 -14.125 -11.555 1.00 0.00 C ATOM 962 C LYS A 62 -7.941 -14.037 -11.924 1.00 0.00 C ATOM 963 O LYS A 62 -7.396 -14.937 -12.564 1.00 0.00 O ATOM 964 CB LYS A 62 -10.148 -12.866 -12.027 1.00 0.00 C ATOM 965 CG LYS A 62 -10.642 -12.950 -13.461 1.00 0.00 C ATOM 966 CD LYS A 62 -11.991 -13.644 -13.547 1.00 0.00 C ATOM 967 CE LYS A 62 -12.679 -13.362 -14.873 1.00 0.00 C ATOM 968 NZ LYS A 62 -11.938 -13.956 -16.020 1.00 0.00 N ATOM 0 H LYS A 62 -10.340 -13.745 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 62 -9.848 -14.994 -12.052 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.997 -12.681 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.479 -12.011 -11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.721 -11.946 -13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.914 -13.491 -14.066 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.857 -14.719 -13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.627 -13.309 -12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.692 -13.763 -14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.766 -12.285 -15.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.439 -13.741 -16.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.979 -13.555 -16.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.877 -14.987 -15.898 1.00 0.00 H new ATOM 982 N ASP A 63 -7.298 -12.949 -11.516 1.00 0.00 N ATOM 983 CA ASP A 63 -5.882 -12.745 -11.802 1.00 0.00 C ATOM 984 C ASP A 63 -5.062 -12.749 -10.516 1.00 0.00 C ATOM 985 O ASP A 63 -3.947 -12.226 -10.476 1.00 0.00 O ATOM 986 CB ASP A 63 -5.676 -11.426 -12.549 1.00 0.00 C ATOM 987 CG ASP A 63 -6.414 -11.388 -13.873 1.00 0.00 C ATOM 988 OD1 ASP A 63 -6.563 -12.458 -14.500 1.00 0.00 O ATOM 989 OD2 ASP A 63 -6.842 -10.289 -14.282 1.00 0.00 O ATOM 0 H ASP A 63 -7.734 -12.194 -10.986 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.541 -13.567 -12.431 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -6.016 -10.601 -11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.611 -11.275 -12.726 1.00 0.00 H new ATOM 994 N LEU A 64 -5.620 -13.341 -9.466 1.00 0.00 N ATOM 995 CA LEU A 64 -4.941 -13.413 -8.177 1.00 0.00 C ATOM 996 C LEU A 64 -4.327 -12.066 -7.809 1.00 0.00 C ATOM 997 O LEU A 64 -3.292 -12.005 -7.146 1.00 0.00 O ATOM 998 CB LEU A 64 -3.855 -14.490 -8.210 1.00 0.00 C ATOM 999 CG LEU A 64 -4.321 -15.922 -7.947 1.00 0.00 C ATOM 1000 CD1 LEU A 64 -3.242 -16.916 -8.347 1.00 0.00 C ATOM 1001 CD2 LEU A 64 -4.696 -16.100 -6.483 1.00 0.00 C ATOM 0 H LEU A 64 -6.541 -13.778 -9.482 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.680 -13.674 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.372 -14.460 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.096 -14.235 -7.471 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.206 -16.113 -8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.591 -17.930 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.021 -16.806 -9.409 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.339 -16.726 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.025 -17.125 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.829 -15.890 -5.857 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.503 -15.413 -6.228 1.00 0.00 H new ATOM 1013 N SER A 65 -4.973 -10.989 -8.244 1.00 0.00 N ATOM 1014 CA SER A 65 -4.490 -9.642 -7.961 1.00 0.00 C ATOM 1015 C SER A 65 -5.264 -9.019 -6.804 1.00 0.00 C ATOM 1016 O SER A 65 -6.458 -9.270 -6.634 1.00 0.00 O ATOM 1017 CB SER A 65 -4.614 -8.762 -9.206 1.00 0.00 C ATOM 1018 OG SER A 65 -5.973 -8.485 -9.502 1.00 0.00 O ATOM 0 H SER A 65 -5.832 -11.023 -8.793 1.00 0.00 H new ATOM 0 HA SER A 65 -3.440 -9.711 -7.676 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.075 -7.828 -9.050 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.148 -9.261 -10.056 1.00 0.00 H new ATOM 0 HG SER A 65 -6.025 -7.920 -10.301 1.00 0.00 H new ATOM 1024 N TYR A 66 -4.577 -8.205 -6.011 1.00 0.00 N ATOM 1025 CA TYR A 66 -5.198 -7.546 -4.868 1.00 0.00 C ATOM 1026 C TYR A 66 -5.603 -6.117 -5.216 1.00 0.00 C ATOM 1027 O TYR A 66 -4.762 -5.288 -5.566 1.00 0.00 O ATOM 1028 CB TYR A 66 -4.241 -7.541 -3.675 1.00 0.00 C ATOM 1029 CG TYR A 66 -4.099 -8.889 -3.005 1.00 0.00 C ATOM 1030 CD1 TYR A 66 -5.011 -9.309 -2.045 1.00 0.00 C ATOM 1031 CD2 TYR A 66 -3.054 -9.744 -3.335 1.00 0.00 C ATOM 1032 CE1 TYR A 66 -4.885 -10.540 -1.430 1.00 0.00 C ATOM 1033 CE2 TYR A 66 -2.921 -10.977 -2.727 1.00 0.00 C ATOM 1034 CZ TYR A 66 -3.838 -11.370 -1.775 1.00 0.00 C ATOM 1035 OH TYR A 66 -3.710 -12.598 -1.167 1.00 0.00 O ATOM 0 H TYR A 66 -3.589 -7.985 -6.139 1.00 0.00 H new ATOM 0 HA TYR A 66 -6.096 -8.104 -4.603 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.259 -7.206 -4.009 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.593 -6.816 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.833 -8.662 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.334 -9.439 -4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.602 -10.851 -0.684 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.103 -11.630 -2.996 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.922 -13.059 -1.523 1.00 0.00 H new ATOM 1045 N THR A 67 -6.898 -5.836 -5.117 1.00 0.00 N ATOM 1046 CA THR A 67 -7.417 -4.508 -5.421 1.00 0.00 C ATOM 1047 C THR A 67 -7.726 -3.733 -4.146 1.00 0.00 C ATOM 1048 O THR A 67 -8.472 -4.203 -3.286 1.00 0.00 O ATOM 1049 CB THR A 67 -8.692 -4.587 -6.282 1.00 0.00 C ATOM 1050 OG1 THR A 67 -9.758 -5.173 -5.526 1.00 0.00 O ATOM 1051 CG2 THR A 67 -8.446 -5.407 -7.540 1.00 0.00 C ATOM 0 H THR A 67 -7.607 -6.510 -4.829 1.00 0.00 H new ATOM 0 HA THR A 67 -6.641 -3.986 -5.981 1.00 0.00 H new ATOM 0 HB THR A 67 -8.969 -3.574 -6.576 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.557 -5.105 -4.569 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.360 -5.449 -8.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.654 -4.943 -8.128 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.147 -6.418 -7.263 1.00 0.00 H new ATOM 1059 N LEU A 68 -7.148 -2.542 -4.028 1.00 0.00 N ATOM 1060 CA LEU A 68 -7.363 -1.700 -2.857 1.00 0.00 C ATOM 1061 C LEU A 68 -8.849 -1.437 -2.640 1.00 0.00 C ATOM 1062 O LEU A 68 -9.560 -1.030 -3.560 1.00 0.00 O ATOM 1063 CB LEU A 68 -6.616 -0.374 -3.013 1.00 0.00 C ATOM 1064 CG LEU A 68 -6.132 0.281 -1.719 1.00 0.00 C ATOM 1065 CD1 LEU A 68 -6.047 1.790 -1.884 1.00 0.00 C ATOM 1066 CD2 LEU A 68 -7.052 -0.081 -0.562 1.00 0.00 C ATOM 0 H LEU A 68 -6.527 -2.138 -4.729 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.976 -2.228 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.753 -0.540 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.269 0.329 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.134 -0.095 -1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.701 2.239 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.347 2.030 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.032 2.185 -2.133 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.693 0.394 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.062 0.266 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.061 -1.163 -0.429 1.00 0.00 H new ATOM 1078 N LYS A 69 -9.314 -1.669 -1.417 1.00 0.00 N ATOM 1079 CA LYS A 69 -10.715 -1.454 -1.077 1.00 0.00 C ATOM 1080 C LYS A 69 -11.170 -0.060 -1.499 1.00 0.00 C ATOM 1081 O LYS A 69 -10.411 0.692 -2.110 1.00 0.00 O ATOM 1082 CB LYS A 69 -10.931 -1.639 0.427 1.00 0.00 C ATOM 1083 CG LYS A 69 -11.047 -3.093 0.850 1.00 0.00 C ATOM 1084 CD LYS A 69 -10.902 -3.249 2.355 1.00 0.00 C ATOM 1085 CE LYS A 69 -10.657 -4.699 2.744 1.00 0.00 C ATOM 1086 NZ LYS A 69 -11.931 -5.428 2.998 1.00 0.00 N ATOM 0 H LYS A 69 -8.740 -2.006 -0.644 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.311 -2.190 -1.617 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -10.102 -1.178 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.837 -1.110 0.723 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -12.012 -3.489 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -10.280 -3.682 0.347 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.076 -2.632 2.708 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.804 -2.886 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.104 -5.200 1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.034 -4.735 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.721 -6.412 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.447 -4.965 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.515 -5.416 2.138 1.00 0.00 H new ATOM 1100 N ASP A 70 -12.411 0.278 -1.167 1.00 0.00 N ATOM 1101 CA ASP A 70 -12.966 1.582 -1.509 1.00 0.00 C ATOM 1102 C ASP A 70 -12.860 2.544 -0.330 1.00 0.00 C ATOM 1103 O ASP A 70 -12.476 3.702 -0.493 1.00 0.00 O ATOM 1104 CB ASP A 70 -14.427 1.442 -1.940 1.00 0.00 C ATOM 1105 CG ASP A 70 -15.284 0.788 -0.875 1.00 0.00 C ATOM 1106 OD1 ASP A 70 -15.323 -0.459 -0.829 1.00 0.00 O ATOM 1107 OD2 ASP A 70 -15.917 1.523 -0.087 1.00 0.00 O ATOM 0 H ASP A 70 -13.052 -0.333 -0.661 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.388 1.988 -2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.830 2.428 -2.172 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.478 0.853 -2.856 1.00 0.00 H new ATOM 1112 N TYR A 71 -13.205 2.057 0.857 1.00 0.00 N ATOM 1113 CA TYR A 71 -13.152 2.873 2.063 1.00 0.00 C ATOM 1114 C TYR A 71 -11.716 3.273 2.389 1.00 0.00 C ATOM 1115 O TYR A 71 -11.446 4.415 2.759 1.00 0.00 O ATOM 1116 CB TYR A 71 -13.763 2.117 3.244 1.00 0.00 C ATOM 1117 CG TYR A 71 -12.747 1.358 4.067 1.00 0.00 C ATOM 1118 CD1 TYR A 71 -12.301 0.102 3.671 1.00 0.00 C ATOM 1119 CD2 TYR A 71 -12.233 1.895 5.241 1.00 0.00 C ATOM 1120 CE1 TYR A 71 -11.374 -0.595 4.420 1.00 0.00 C ATOM 1121 CE2 TYR A 71 -11.304 1.205 5.996 1.00 0.00 C ATOM 1122 CZ TYR A 71 -10.878 -0.040 5.581 1.00 0.00 C ATOM 1123 OH TYR A 71 -9.954 -0.731 6.331 1.00 0.00 O ATOM 0 H TYR A 71 -13.525 1.100 1.009 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.730 3.779 1.882 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -14.284 2.826 3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -14.511 1.418 2.870 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.686 -0.336 2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.565 2.869 5.569 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.039 -1.570 4.098 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.914 1.638 6.905 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.707 -0.199 7.116 1.00 0.00 H new ATOM 1133 N VAL A 72 -10.798 2.323 2.246 1.00 0.00 N ATOM 1134 CA VAL A 72 -9.389 2.574 2.523 1.00 0.00 C ATOM 1135 C VAL A 72 -8.905 3.832 1.811 1.00 0.00 C ATOM 1136 O VAL A 72 -8.059 4.564 2.327 1.00 0.00 O ATOM 1137 CB VAL A 72 -8.511 1.384 2.091 1.00 0.00 C ATOM 1138 CG1 VAL A 72 -7.046 1.667 2.384 1.00 0.00 C ATOM 1139 CG2 VAL A 72 -8.966 0.108 2.784 1.00 0.00 C ATOM 0 H VAL A 72 -11.005 1.372 1.940 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.298 2.711 3.601 1.00 0.00 H new ATOM 0 HB VAL A 72 -8.621 1.245 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.441 0.815 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.731 2.556 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.914 1.833 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -8.335 -0.723 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -8.887 0.233 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.002 -0.101 2.518 1.00 0.00 H new ATOM 1149 N PHE A 73 -9.447 4.079 0.624 1.00 0.00 N ATOM 1150 CA PHE A 73 -9.071 5.250 -0.160 1.00 0.00 C ATOM 1151 C PHE A 73 -9.107 6.513 0.696 1.00 0.00 C ATOM 1152 O PHE A 73 -8.347 7.454 0.468 1.00 0.00 O ATOM 1153 CB PHE A 73 -10.005 5.408 -1.361 1.00 0.00 C ATOM 1154 CG PHE A 73 -9.723 4.438 -2.472 1.00 0.00 C ATOM 1155 CD1 PHE A 73 -8.431 4.256 -2.940 1.00 0.00 C ATOM 1156 CD2 PHE A 73 -10.749 3.707 -3.050 1.00 0.00 C ATOM 1157 CE1 PHE A 73 -8.168 3.363 -3.962 1.00 0.00 C ATOM 1158 CE2 PHE A 73 -10.492 2.813 -4.072 1.00 0.00 C ATOM 1159 CZ PHE A 73 -9.200 2.642 -4.529 1.00 0.00 C ATOM 0 H PHE A 73 -10.148 3.484 0.183 1.00 0.00 H new ATOM 0 HA PHE A 73 -8.052 5.104 -0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.035 5.278 -1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.920 6.424 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.620 4.818 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.761 3.838 -2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.157 3.229 -4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.301 2.249 -4.513 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.997 1.945 -5.329 1.00 0.00 H new ATOM 1169 N LYS A 74 -9.997 6.526 1.683 1.00 0.00 N ATOM 1170 CA LYS A 74 -10.134 7.671 2.575 1.00 0.00 C ATOM 1171 C LYS A 74 -8.976 7.730 3.566 1.00 0.00 C ATOM 1172 O LYS A 74 -8.591 8.807 4.020 1.00 0.00 O ATOM 1173 CB LYS A 74 -11.463 7.598 3.330 1.00 0.00 C ATOM 1174 CG LYS A 74 -11.383 6.811 4.627 1.00 0.00 C ATOM 1175 CD LYS A 74 -12.735 6.736 5.317 1.00 0.00 C ATOM 1176 CE LYS A 74 -13.684 5.799 4.585 1.00 0.00 C ATOM 1177 NZ LYS A 74 -14.284 6.444 3.385 1.00 0.00 N ATOM 0 H LYS A 74 -10.634 5.756 1.885 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.117 8.577 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.803 8.610 3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.214 7.143 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.022 5.803 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.659 7.279 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.602 6.392 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.174 7.732 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.146 4.900 4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.477 5.483 5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -15.318 6.331 3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.046 7.456 3.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.908 5.995 2.525 1.00 0.00 H new ATOM 1191 N GLU A 75 -8.425 6.566 3.896 1.00 0.00 N ATOM 1192 CA GLU A 75 -7.311 6.487 4.833 1.00 0.00 C ATOM 1193 C GLU A 75 -6.026 7.008 4.195 1.00 0.00 C ATOM 1194 O GLU A 75 -5.170 7.578 4.873 1.00 0.00 O ATOM 1195 CB GLU A 75 -7.111 5.044 5.302 1.00 0.00 C ATOM 1196 CG GLU A 75 -8.314 4.470 6.032 1.00 0.00 C ATOM 1197 CD GLU A 75 -7.943 3.333 6.964 1.00 0.00 C ATOM 1198 OE1 GLU A 75 -7.125 3.559 7.881 1.00 0.00 O ATOM 1199 OE2 GLU A 75 -8.470 2.217 6.777 1.00 0.00 O ATOM 0 H GLU A 75 -8.732 5.665 3.528 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.549 7.112 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.888 4.418 4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.243 5.001 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.798 5.261 6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.041 4.114 5.302 1.00 0.00 H new ATOM 1206 N LEU A 76 -5.898 6.808 2.888 1.00 0.00 N ATOM 1207 CA LEU A 76 -4.718 7.256 2.158 1.00 0.00 C ATOM 1208 C LEU A 76 -4.328 8.672 2.569 1.00 0.00 C ATOM 1209 O LEU A 76 -5.124 9.396 3.168 1.00 0.00 O ATOM 1210 CB LEU A 76 -4.976 7.204 0.651 1.00 0.00 C ATOM 1211 CG LEU A 76 -5.039 5.808 0.029 1.00 0.00 C ATOM 1212 CD1 LEU A 76 -5.605 5.877 -1.381 1.00 0.00 C ATOM 1213 CD2 LEU A 76 -3.660 5.164 0.022 1.00 0.00 C ATOM 0 H LEU A 76 -6.597 6.339 2.312 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.894 6.586 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.917 7.714 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.191 7.769 0.148 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.703 5.191 0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.642 4.875 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.611 6.295 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.968 6.510 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.724 4.172 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.974 5.780 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.293 5.079 1.045 1.00 0.00 H new ATOM 1225 N GLN A 77 -3.100 9.062 2.242 1.00 0.00 N ATOM 1226 CA GLN A 77 -2.606 10.392 2.577 1.00 0.00 C ATOM 1227 C GLN A 77 -2.193 11.151 1.321 1.00 0.00 C ATOM 1228 O GLN A 77 -1.140 10.886 0.742 1.00 0.00 O ATOM 1229 CB GLN A 77 -1.422 10.292 3.540 1.00 0.00 C ATOM 1230 CG GLN A 77 -1.724 9.489 4.795 1.00 0.00 C ATOM 1231 CD GLN A 77 -0.784 9.817 5.938 1.00 0.00 C ATOM 1232 OE1 GLN A 77 -0.630 10.979 6.317 1.00 0.00 O ATOM 1233 NE2 GLN A 77 -0.149 8.793 6.495 1.00 0.00 N ATOM 0 H GLN A 77 -2.429 8.476 1.745 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.413 10.941 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.580 9.835 3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.112 11.297 3.827 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.750 9.682 5.107 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.655 8.425 4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.306 7.846 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.496 8.953 7.269 1.00 0.00 H new ATOM 1242 N ARG A 78 -3.029 12.097 0.904 1.00 0.00 N ATOM 1243 CA ARG A 78 -2.751 12.893 -0.284 1.00 0.00 C ATOM 1244 C ARG A 78 -1.326 13.437 -0.254 1.00 0.00 C ATOM 1245 O ARG A 78 -0.713 13.660 -1.298 1.00 0.00 O ATOM 1246 CB ARG A 78 -3.747 14.049 -0.394 1.00 0.00 C ATOM 1247 CG ARG A 78 -5.000 13.702 -1.182 1.00 0.00 C ATOM 1248 CD ARG A 78 -4.830 14.006 -2.662 1.00 0.00 C ATOM 1249 NE ARG A 78 -4.609 15.429 -2.906 1.00 0.00 N ATOM 1250 CZ ARG A 78 -4.372 15.940 -4.109 1.00 0.00 C ATOM 1251 NH1 ARG A 78 -4.325 15.149 -5.172 1.00 0.00 N ATOM 1252 NH2 ARG A 78 -4.181 17.246 -4.251 1.00 0.00 N ATOM 0 H ARG A 78 -3.905 12.330 1.372 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.856 12.247 -1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.035 14.366 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.254 14.898 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.232 12.645 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.846 14.265 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.988 13.436 -3.055 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.717 13.679 -3.204 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.638 16.065 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.471 14.145 -5.067 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.143 15.545 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.216 17.858 -3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.999 17.637 -5.175 1.00 0.00 H new ATOM 1266 N ASP A 79 -0.805 13.647 0.950 1.00 0.00 N ATOM 1267 CA ASP A 79 0.549 14.164 1.117 1.00 0.00 C ATOM 1268 C ASP A 79 1.558 13.024 1.214 1.00 0.00 C ATOM 1269 O ASP A 79 2.612 13.166 1.833 1.00 0.00 O ATOM 1270 CB ASP A 79 0.631 15.042 2.367 1.00 0.00 C ATOM 1271 CG ASP A 79 0.131 14.331 3.609 1.00 0.00 C ATOM 1272 OD1 ASP A 79 -1.048 13.920 3.623 1.00 0.00 O ATOM 1273 OD2 ASP A 79 0.920 14.184 4.566 1.00 0.00 O ATOM 0 H ASP A 79 -1.299 13.467 1.824 1.00 0.00 H new ATOM 0 HA ASP A 79 0.792 14.767 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.664 15.353 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.045 15.948 2.210 1.00 0.00 H new ATOM 1278 N TRP A 80 1.226 11.894 0.600 1.00 0.00 N ATOM 1279 CA TRP A 80 2.103 10.729 0.619 1.00 0.00 C ATOM 1280 C TRP A 80 3.381 10.996 -0.169 1.00 0.00 C ATOM 1281 O TRP A 80 3.350 11.309 -1.359 1.00 0.00 O ATOM 1282 CB TRP A 80 1.379 9.511 0.042 1.00 0.00 C ATOM 1283 CG TRP A 80 2.175 8.245 0.142 1.00 0.00 C ATOM 1284 CD1 TRP A 80 2.751 7.555 -0.887 1.00 0.00 C ATOM 1285 CD2 TRP A 80 2.481 7.516 1.336 1.00 0.00 C ATOM 1286 NE1 TRP A 80 3.396 6.442 -0.404 1.00 0.00 N ATOM 1287 CE2 TRP A 80 3.246 6.396 0.956 1.00 0.00 C ATOM 1288 CE3 TRP A 80 2.185 7.703 2.689 1.00 0.00 C ATOM 1289 CZ2 TRP A 80 3.716 5.468 1.882 1.00 0.00 C ATOM 1290 CZ3 TRP A 80 2.651 6.780 3.606 1.00 0.00 C ATOM 1291 CH2 TRP A 80 3.411 5.675 3.200 1.00 0.00 C ATOM 0 H TRP A 80 0.357 11.760 0.083 1.00 0.00 H new ATOM 0 HA TRP A 80 2.373 10.526 1.655 1.00 0.00 H new ATOM 0 HB2 TRP A 80 0.432 9.379 0.565 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.141 9.701 -1.005 1.00 0.00 H new ATOM 0 HD1 TRP A 80 2.706 7.842 -1.927 1.00 0.00 H new ATOM 0 HE1 TRP A 80 3.904 5.760 -0.968 1.00 0.00 H new ATOM 0 HE3 TRP A 80 1.603 8.553 3.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 4.301 4.615 1.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.425 6.913 4.654 1.00 0.00 H new ATOM 0 HH2 TRP A 80 3.763 4.973 3.942 1.00 0.00 H new ATOM 1302 N PRO A 81 4.532 10.871 0.508 1.00 0.00 N ATOM 1303 CA PRO A 81 5.842 11.095 -0.111 1.00 0.00 C ATOM 1304 C PRO A 81 6.202 10.007 -1.117 1.00 0.00 C ATOM 1305 O PRO A 81 7.229 10.085 -1.790 1.00 0.00 O ATOM 1306 CB PRO A 81 6.806 11.063 1.078 1.00 0.00 C ATOM 1307 CG PRO A 81 6.113 10.235 2.105 1.00 0.00 C ATOM 1308 CD PRO A 81 4.643 10.501 1.928 1.00 0.00 C ATOM 0 HA PRO A 81 5.871 12.026 -0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.765 10.626 0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 81 7.009 12.067 1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.337 9.177 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 81 6.440 10.504 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.044 9.621 2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.298 11.303 2.580 1.00 0.00 H new ATOM 1316 N GLY A 82 5.348 8.992 -1.215 1.00 0.00 N ATOM 1317 CA GLY A 82 5.593 7.903 -2.142 1.00 0.00 C ATOM 1318 C GLY A 82 5.066 8.195 -3.533 1.00 0.00 C ATOM 1319 O GLY A 82 5.210 7.379 -4.443 1.00 0.00 O ATOM 0 H GLY A 82 4.491 8.905 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.664 7.710 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.124 6.995 -1.763 1.00 0.00 H new ATOM 1323 N TYR A 83 4.451 9.361 -3.697 1.00 0.00 N ATOM 1324 CA TYR A 83 3.896 9.757 -4.986 1.00 0.00 C ATOM 1325 C TYR A 83 4.730 10.866 -5.621 1.00 0.00 C ATOM 1326 O TYR A 83 4.795 11.982 -5.106 1.00 0.00 O ATOM 1327 CB TYR A 83 2.449 10.224 -4.820 1.00 0.00 C ATOM 1328 CG TYR A 83 1.532 9.164 -4.253 1.00 0.00 C ATOM 1329 CD1 TYR A 83 1.621 7.843 -4.674 1.00 0.00 C ATOM 1330 CD2 TYR A 83 0.576 9.483 -3.297 1.00 0.00 C ATOM 1331 CE1 TYR A 83 0.785 6.871 -4.160 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -0.263 8.517 -2.776 1.00 0.00 C ATOM 1333 CZ TYR A 83 -0.155 7.213 -3.210 1.00 0.00 C ATOM 1334 OH TYR A 83 -0.990 6.248 -2.694 1.00 0.00 O ATOM 0 H TYR A 83 4.324 10.048 -2.954 1.00 0.00 H new ATOM 0 HA TYR A 83 3.918 8.888 -5.644 1.00 0.00 H new ATOM 0 HB2 TYR A 83 2.430 11.096 -4.166 1.00 0.00 H new ATOM 0 HB3 TYR A 83 2.066 10.544 -5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 83 2.357 7.571 -5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 83 0.487 10.504 -2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 83 0.867 5.849 -4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.000 8.782 -2.032 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.784 5.383 -3.106 1.00 0.00 H new ATOM 1344 N SER A 84 5.366 10.549 -6.744 1.00 0.00 N ATOM 1345 CA SER A 84 6.199 11.516 -7.450 1.00 0.00 C ATOM 1346 C SER A 84 5.341 12.566 -8.148 1.00 0.00 C ATOM 1347 O SER A 84 4.112 12.499 -8.115 1.00 0.00 O ATOM 1348 CB SER A 84 7.088 10.805 -8.472 1.00 0.00 C ATOM 1349 OG SER A 84 7.974 9.900 -7.837 1.00 0.00 O ATOM 0 H SER A 84 5.321 9.630 -7.185 1.00 0.00 H new ATOM 0 HA SER A 84 6.830 12.018 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 84 6.466 10.268 -9.188 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.659 11.542 -9.036 1.00 0.00 H new ATOM 0 HG SER A 84 8.529 9.458 -8.512 1.00 0.00 H new ATOM 1355 N GLU A 85 5.997 13.535 -8.778 1.00 0.00 N ATOM 1356 CA GLU A 85 5.294 14.599 -9.484 1.00 0.00 C ATOM 1357 C GLU A 85 4.157 14.033 -10.329 1.00 0.00 C ATOM 1358 O GLU A 85 3.200 14.738 -10.654 1.00 0.00 O ATOM 1359 CB GLU A 85 6.264 15.381 -10.372 1.00 0.00 C ATOM 1360 CG GLU A 85 5.589 16.095 -11.530 1.00 0.00 C ATOM 1361 CD GLU A 85 6.561 16.912 -12.359 1.00 0.00 C ATOM 1362 OE1 GLU A 85 7.337 17.691 -11.767 1.00 0.00 O ATOM 1363 OE2 GLU A 85 6.546 16.771 -13.600 1.00 0.00 O ATOM 0 H GLU A 85 7.014 13.605 -8.814 1.00 0.00 H new ATOM 0 HA GLU A 85 4.870 15.274 -8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.791 16.114 -9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.015 14.696 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.100 15.360 -12.170 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.808 16.750 -11.143 1.00 0.00 H new ATOM 1370 N ILE A 86 4.269 12.757 -10.683 1.00 0.00 N ATOM 1371 CA ILE A 86 3.251 12.097 -11.490 1.00 0.00 C ATOM 1372 C ILE A 86 2.247 11.358 -10.612 1.00 0.00 C ATOM 1373 O ILE A 86 1.065 11.700 -10.580 1.00 0.00 O ATOM 1374 CB ILE A 86 3.879 11.100 -12.482 1.00 0.00 C ATOM 1375 CG1 ILE A 86 4.956 11.791 -13.320 1.00 0.00 C ATOM 1376 CG2 ILE A 86 2.806 10.499 -13.379 1.00 0.00 C ATOM 1377 CD1 ILE A 86 6.219 12.098 -12.546 1.00 0.00 C ATOM 0 H ILE A 86 5.054 12.160 -10.424 1.00 0.00 H new ATOM 0 HA ILE A 86 2.736 12.878 -12.049 1.00 0.00 H new ATOM 0 HB ILE A 86 4.347 10.294 -11.917 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.206 11.157 -14.171 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.552 12.720 -13.723 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.265 9.796 -14.075 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.071 9.976 -12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.313 11.294 -13.939 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.938 12.587 -13.203 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.983 12.758 -11.711 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.647 11.171 -12.166 1.00 0.00 H new ATOM 1389 N ASP A 87 2.726 10.345 -9.898 1.00 0.00 N ATOM 1390 CA ASP A 87 1.872 9.559 -9.016 1.00 0.00 C ATOM 1391 C ASP A 87 0.785 10.431 -8.394 1.00 0.00 C ATOM 1392 O ASP A 87 -0.404 10.135 -8.511 1.00 0.00 O ATOM 1393 CB ASP A 87 2.706 8.901 -7.916 1.00 0.00 C ATOM 1394 CG ASP A 87 3.784 7.992 -8.473 1.00 0.00 C ATOM 1395 OD1 ASP A 87 4.644 8.487 -9.230 1.00 0.00 O ATOM 1396 OD2 ASP A 87 3.767 6.785 -8.152 1.00 0.00 O ATOM 0 H ASP A 87 3.702 10.049 -9.913 1.00 0.00 H new ATOM 0 HA ASP A 87 1.394 8.782 -9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.168 9.674 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.051 8.325 -7.263 1.00 0.00 H new ATOM 1401 N ARG A 88 1.202 11.506 -7.732 1.00 0.00 N ATOM 1402 CA ARG A 88 0.264 12.419 -7.090 1.00 0.00 C ATOM 1403 C ARG A 88 -0.915 12.722 -8.009 1.00 0.00 C ATOM 1404 O ARG A 88 -2.072 12.515 -7.641 1.00 0.00 O ATOM 1405 CB ARG A 88 0.970 13.719 -6.703 1.00 0.00 C ATOM 1406 CG ARG A 88 1.926 13.568 -5.530 1.00 0.00 C ATOM 1407 CD ARG A 88 2.842 14.774 -5.399 1.00 0.00 C ATOM 1408 NE ARG A 88 2.266 15.808 -4.541 1.00 0.00 N ATOM 1409 CZ ARG A 88 2.251 15.737 -3.215 1.00 0.00 C ATOM 1410 NH1 ARG A 88 2.777 14.689 -2.597 1.00 0.00 N ATOM 1411 NH2 ARG A 88 1.709 16.718 -2.504 1.00 0.00 N ATOM 0 H ARG A 88 2.183 11.766 -7.626 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.115 11.937 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.522 14.093 -7.565 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.220 14.470 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.357 13.441 -4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.525 12.667 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.802 14.458 -4.991 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.037 15.190 -6.387 1.00 0.00 H new ATOM 0 HE ARG A 88 1.853 16.628 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.195 13.934 -3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.764 14.638 -1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.304 17.526 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.697 16.663 -1.486 1.00 0.00 H new ATOM 1425 N ARG A 89 -0.615 13.214 -9.207 1.00 0.00 N ATOM 1426 CA ARG A 89 -1.650 13.547 -10.178 1.00 0.00 C ATOM 1427 C ARG A 89 -2.356 12.289 -10.673 1.00 0.00 C ATOM 1428 O ARG A 89 -3.478 12.352 -11.177 1.00 0.00 O ATOM 1429 CB ARG A 89 -1.044 14.304 -11.361 1.00 0.00 C ATOM 1430 CG ARG A 89 -0.249 13.420 -12.307 1.00 0.00 C ATOM 1431 CD ARG A 89 -0.276 13.958 -13.729 1.00 0.00 C ATOM 1432 NE ARG A 89 -0.162 12.892 -14.721 1.00 0.00 N ATOM 1433 CZ ARG A 89 -0.181 13.102 -16.032 1.00 0.00 C ATOM 1434 NH1 ARG A 89 -0.310 14.334 -16.507 1.00 0.00 N ATOM 1435 NH2 ARG A 89 -0.071 12.080 -16.871 1.00 0.00 N ATOM 0 H ARG A 89 0.337 13.391 -9.528 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.384 14.184 -9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.844 14.791 -11.918 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.394 15.093 -10.982 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.783 13.352 -11.962 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.657 12.409 -12.292 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.204 14.506 -13.891 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.541 14.667 -13.864 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.062 11.933 -14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.395 15.122 -15.865 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.324 14.493 -17.514 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.028 11.132 -16.509 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.086 12.243 -17.878 1.00 0.00 H new ATOM 1449 N SER A 90 -1.692 11.147 -10.527 1.00 0.00 N ATOM 1450 CA SER A 90 -2.254 9.874 -10.964 1.00 0.00 C ATOM 1451 C SER A 90 -3.167 9.288 -9.891 1.00 0.00 C ATOM 1452 O SER A 90 -4.033 8.461 -10.181 1.00 0.00 O ATOM 1453 CB SER A 90 -1.135 8.885 -11.294 1.00 0.00 C ATOM 1454 OG SER A 90 -0.752 8.984 -12.655 1.00 0.00 O ATOM 0 H SER A 90 -0.764 11.077 -10.109 1.00 0.00 H new ATOM 0 HA SER A 90 -2.845 10.054 -11.862 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.273 9.080 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.468 7.869 -11.080 1.00 0.00 H new ATOM 0 HG SER A 90 -0.034 8.343 -12.840 1.00 0.00 H new ATOM 1460 N LEU A 91 -2.967 9.721 -8.652 1.00 0.00 N ATOM 1461 CA LEU A 91 -3.771 9.240 -7.534 1.00 0.00 C ATOM 1462 C LEU A 91 -4.978 10.144 -7.302 1.00 0.00 C ATOM 1463 O LEU A 91 -6.064 9.671 -6.969 1.00 0.00 O ATOM 1464 CB LEU A 91 -2.923 9.167 -6.263 1.00 0.00 C ATOM 1465 CG LEU A 91 -3.667 9.389 -4.946 1.00 0.00 C ATOM 1466 CD1 LEU A 91 -2.999 8.615 -3.819 1.00 0.00 C ATOM 1467 CD2 LEU A 91 -3.730 10.872 -4.612 1.00 0.00 C ATOM 0 H LEU A 91 -2.255 10.405 -8.396 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.130 8.241 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.444 8.189 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.128 9.909 -6.338 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.686 9.019 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.542 8.785 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.006 7.551 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.969 8.954 -3.705 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.263 11.011 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.718 11.267 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.254 11.402 -5.407 1.00 0.00 H new ATOM 1479 N GLU A 92 -4.779 11.446 -7.483 1.00 0.00 N ATOM 1480 CA GLU A 92 -5.852 12.415 -7.295 1.00 0.00 C ATOM 1481 C GLU A 92 -7.074 12.042 -8.129 1.00 0.00 C ATOM 1482 O GLU A 92 -8.181 12.515 -7.872 1.00 0.00 O ATOM 1483 CB GLU A 92 -5.373 13.819 -7.672 1.00 0.00 C ATOM 1484 CG GLU A 92 -5.165 14.010 -9.165 1.00 0.00 C ATOM 1485 CD GLU A 92 -5.050 15.471 -9.555 1.00 0.00 C ATOM 1486 OE1 GLU A 92 -6.095 16.094 -9.836 1.00 0.00 O ATOM 1487 OE2 GLU A 92 -3.915 15.991 -9.579 1.00 0.00 O ATOM 0 H GLU A 92 -3.886 11.853 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.135 12.406 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.101 14.549 -7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.437 14.026 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.262 13.483 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.997 13.558 -9.705 1.00 0.00 H new ATOM 1494 N SER A 93 -6.865 11.191 -9.128 1.00 0.00 N ATOM 1495 CA SER A 93 -7.948 10.757 -10.002 1.00 0.00 C ATOM 1496 C SER A 93 -8.798 9.686 -9.325 1.00 0.00 C ATOM 1497 O SER A 93 -9.956 9.921 -8.981 1.00 0.00 O ATOM 1498 CB SER A 93 -7.385 10.220 -11.319 1.00 0.00 C ATOM 1499 OG SER A 93 -8.407 10.079 -12.291 1.00 0.00 O ATOM 0 H SER A 93 -5.955 10.788 -9.352 1.00 0.00 H new ATOM 0 HA SER A 93 -8.581 11.620 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.615 10.896 -11.692 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.907 9.256 -11.147 1.00 0.00 H new ATOM 0 HG SER A 93 -8.021 9.736 -13.124 1.00 0.00 H new ATOM 1505 N VAL A 94 -8.213 8.507 -9.137 1.00 0.00 N ATOM 1506 CA VAL A 94 -8.914 7.399 -8.500 1.00 0.00 C ATOM 1507 C VAL A 94 -9.826 7.895 -7.383 1.00 0.00 C ATOM 1508 O VAL A 94 -11.041 7.696 -7.425 1.00 0.00 O ATOM 1509 CB VAL A 94 -7.926 6.369 -7.921 1.00 0.00 C ATOM 1510 CG1 VAL A 94 -8.673 5.268 -7.183 1.00 0.00 C ATOM 1511 CG2 VAL A 94 -7.056 5.786 -9.025 1.00 0.00 C ATOM 0 H VAL A 94 -7.255 8.295 -9.417 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.517 6.920 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.277 6.876 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -7.958 4.550 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.249 5.703 -6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.348 4.761 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.364 5.060 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -7.688 5.294 -9.764 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.492 6.586 -9.505 1.00 0.00 H new ATOM 1521 N LEU A 95 -9.233 8.541 -6.386 1.00 0.00 N ATOM 1522 CA LEU A 95 -9.993 9.067 -5.256 1.00 0.00 C ATOM 1523 C LEU A 95 -11.158 9.926 -5.737 1.00 0.00 C ATOM 1524 O LEU A 95 -12.228 9.936 -5.127 1.00 0.00 O ATOM 1525 CB LEU A 95 -9.082 9.888 -4.342 1.00 0.00 C ATOM 1526 CG LEU A 95 -7.814 9.187 -3.852 1.00 0.00 C ATOM 1527 CD1 LEU A 95 -6.931 10.158 -3.084 1.00 0.00 C ATOM 1528 CD2 LEU A 95 -8.169 7.986 -2.988 1.00 0.00 C ATOM 0 H LEU A 95 -8.229 8.714 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 95 -10.395 8.223 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.790 10.794 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.660 10.200 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.258 8.832 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.034 9.642 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.649 10.986 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.477 10.543 -2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.255 7.499 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.746 8.317 -2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.760 7.280 -3.571 1.00 0.00 H new ATOM 1540 N SER A 96 -10.944 10.644 -6.835 1.00 0.00 N ATOM 1541 CA SER A 96 -11.977 11.507 -7.396 1.00 0.00 C ATOM 1542 C SER A 96 -13.080 10.681 -8.050 1.00 0.00 C ATOM 1543 O SER A 96 -14.226 11.119 -8.143 1.00 0.00 O ATOM 1544 CB SER A 96 -11.367 12.466 -8.421 1.00 0.00 C ATOM 1545 OG SER A 96 -12.292 13.475 -8.788 1.00 0.00 O ATOM 0 H SER A 96 -10.066 10.645 -7.353 1.00 0.00 H new ATOM 0 HA SER A 96 -12.415 12.085 -6.582 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.470 12.924 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.060 11.910 -9.307 1.00 0.00 H new ATOM 0 HG SER A 96 -11.878 14.076 -9.442 1.00 0.00 H new ATOM 1551 N ARG A 97 -12.724 9.482 -8.500 1.00 0.00 N ATOM 1552 CA ARG A 97 -13.683 8.594 -9.146 1.00 0.00 C ATOM 1553 C ARG A 97 -14.347 7.675 -8.125 1.00 0.00 C ATOM 1554 O ARG A 97 -15.429 7.140 -8.365 1.00 0.00 O ATOM 1555 CB ARG A 97 -12.990 7.759 -10.225 1.00 0.00 C ATOM 1556 CG ARG A 97 -12.007 8.552 -11.071 1.00 0.00 C ATOM 1557 CD ARG A 97 -11.531 7.749 -12.271 1.00 0.00 C ATOM 1558 NE ARG A 97 -12.637 7.360 -13.143 1.00 0.00 N ATOM 1559 CZ ARG A 97 -13.354 6.255 -12.973 1.00 0.00 C ATOM 1560 NH1 ARG A 97 -13.083 5.433 -11.968 1.00 0.00 N ATOM 1561 NH2 ARG A 97 -14.345 5.970 -13.808 1.00 0.00 N ATOM 0 H ARG A 97 -11.779 9.104 -8.429 1.00 0.00 H new ATOM 0 HA ARG A 97 -14.454 9.209 -9.611 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -12.463 6.932 -9.750 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -13.747 7.322 -10.876 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -12.479 9.473 -11.412 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.150 8.840 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -10.811 8.338 -12.839 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -11.010 6.856 -11.926 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.871 7.971 -13.926 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -12.322 5.649 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -13.635 4.585 -11.840 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -14.557 6.600 -14.582 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -14.895 5.121 -13.676 1.00 0.00 H new ATOM 1575 N LYS A 98 -13.690 7.495 -6.984 1.00 0.00 N ATOM 1576 CA LYS A 98 -14.215 6.642 -5.924 1.00 0.00 C ATOM 1577 C LYS A 98 -15.021 7.457 -4.919 1.00 0.00 C ATOM 1578 O LYS A 98 -16.216 7.223 -4.730 1.00 0.00 O ATOM 1579 CB LYS A 98 -13.071 5.918 -5.210 1.00 0.00 C ATOM 1580 CG LYS A 98 -12.388 4.865 -6.066 1.00 0.00 C ATOM 1581 CD LYS A 98 -13.204 3.585 -6.130 1.00 0.00 C ATOM 1582 CE LYS A 98 -12.690 2.651 -7.215 1.00 0.00 C ATOM 1583 NZ LYS A 98 -13.555 1.448 -7.366 1.00 0.00 N ATOM 0 H LYS A 98 -12.792 7.929 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.876 5.904 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -12.330 6.652 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.459 5.445 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -12.239 5.254 -7.073 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.400 4.648 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.166 3.079 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.249 3.828 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.644 3.186 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -11.673 2.340 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.172 0.836 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -13.579 0.923 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.519 1.743 -7.620 1.00 0.00 H new ATOM 1597 N LEU A 99 -14.363 8.415 -4.277 1.00 0.00 N ATOM 1598 CA LEU A 99 -15.019 9.267 -3.291 1.00 0.00 C ATOM 1599 C LEU A 99 -16.020 10.203 -3.961 1.00 0.00 C ATOM 1600 O LEU A 99 -15.660 11.288 -4.418 1.00 0.00 O ATOM 1601 CB LEU A 99 -13.980 10.081 -2.518 1.00 0.00 C ATOM 1602 CG LEU A 99 -12.926 9.274 -1.758 1.00 0.00 C ATOM 1603 CD1 LEU A 99 -11.918 10.202 -1.098 1.00 0.00 C ATOM 1604 CD2 LEU A 99 -13.586 8.377 -0.722 1.00 0.00 C ATOM 0 H LEU A 99 -13.375 8.622 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 99 -15.559 8.625 -2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -13.468 10.740 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -14.504 10.719 -1.806 1.00 0.00 H new ATOM 0 HG LEU A 99 -12.396 8.642 -2.471 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -11.176 9.611 -0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -11.422 10.802 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -12.433 10.859 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -12.821 7.810 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -14.142 8.989 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -14.268 7.688 -1.219 1.00 0.00 H new ATOM 1616 N ASN A 100 -17.278 9.778 -4.013 1.00 0.00 N ATOM 1617 CA ASN A 100 -18.331 10.579 -4.626 1.00 0.00 C ATOM 1618 C ASN A 100 -19.503 10.761 -3.667 1.00 0.00 C ATOM 1619 O ASN A 100 -19.658 10.003 -2.709 1.00 0.00 O ATOM 1620 CB ASN A 100 -18.814 9.922 -5.920 1.00 0.00 C ATOM 1621 CG ASN A 100 -19.601 8.652 -5.664 1.00 0.00 C ATOM 1622 OD1 ASN A 100 -20.924 8.751 -5.735 1.00 0.00 O flip ATOM 1623 ND2 ASN A 100 -19.028 7.593 -5.406 1.00 0.00 N flip ATOM 0 H ASN A 100 -17.593 8.883 -3.638 1.00 0.00 H new ATOM 0 HA ASN A 100 -17.918 11.561 -4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -19.436 10.627 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.955 9.693 -6.551 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -18.009 7.562 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -19.572 6.747 -5.237 1.00 0.00 H new