USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 750 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 62 TYR OH : rot -101:sc= 0.844 USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0.703 USER MOD Set 2.1: A 57 ASN : amide:sc= -5.42! C(o=-7.2!,f=-22!) USER MOD Set 2.2: A 60 MET CE :methyl 146:sc= -1.79 (180deg=-4.51!) USER MOD Single : A 21 SER OG : rot 126:sc= 1.24 USER MOD Single : A 25 ASN : amide:sc= -2.85 K(o=-2.8,f=-17!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -123:sc= -1.86! (180deg=-2.27!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 166:sc= 0.0011 (180deg=0) USER MOD Single : A 66 SER OG : rot 90:sc= 1.18 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 165:sc= -0.178 USER MOD Single : A 73 TYR OH : rot 121:sc= 0.057 USER MOD Single : A 74 LYS NZ :NH3+ -155:sc= -0.0958 (180deg=-0.5) USER MOD Single : A 75 THR OG1 : rot -150:sc= -0.562 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -1.17 X(o=-1.2,f=-0.79) USER MOD Single : A 94 HIS : no HD1:sc= -0.946 K(o=-0.95,f=-0.07) USER MOD Single : A 97 GLN : amide:sc= -0.0968 X(o=-0.097,f=0) USER MOD ----------------------------------------------------------------- ATOM 105 N LEU A 11 25.374 -10.260 -1.103 1.00 0.00 N ATOM 106 CA LEU A 11 26.039 -11.234 -1.963 1.00 0.00 C ATOM 107 C LEU A 11 25.303 -12.570 -1.943 1.00 0.00 C ATOM 108 O LEU A 11 24.903 -13.084 -2.987 1.00 0.00 O ATOM 109 CB LEU A 11 27.489 -11.431 -1.517 1.00 0.00 C ATOM 110 CG LEU A 11 28.297 -12.466 -2.301 1.00 0.00 C ATOM 111 CD1 LEU A 11 28.131 -13.848 -1.689 1.00 0.00 C ATOM 112 CD2 LEU A 11 27.877 -12.474 -3.763 1.00 0.00 C ATOM 0 HA LEU A 11 26.028 -10.849 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 11 28.002 -10.472 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 11 27.489 -11.720 -0.466 1.00 0.00 H new ATOM 0 HG LEU A 11 29.351 -12.192 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.713 -14.571 -2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 11 28.482 -13.834 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 11 27.079 -14.131 -1.710 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.462 -13.216 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.818 -12.723 -3.836 1.00 0.00 H new ATOM 0 HD23 LEU A 11 28.049 -11.489 -4.196 1.00 0.00 H new ATOM 124 N TRP A 12 25.126 -13.124 -0.749 1.00 0.00 N ATOM 125 CA TRP A 12 24.435 -14.399 -0.594 1.00 0.00 C ATOM 126 C TRP A 12 23.106 -14.393 -1.341 1.00 0.00 C ATOM 127 O TRP A 12 22.725 -15.390 -1.955 1.00 0.00 O ATOM 128 CB TRP A 12 24.201 -14.699 0.887 1.00 0.00 C ATOM 129 CG TRP A 12 23.048 -13.939 1.471 1.00 0.00 C ATOM 130 CD1 TRP A 12 23.091 -12.704 2.053 1.00 0.00 C ATOM 131 CD2 TRP A 12 21.683 -14.366 1.532 1.00 0.00 C ATOM 132 NE1 TRP A 12 21.834 -12.338 2.471 1.00 0.00 N ATOM 133 CE2 TRP A 12 20.953 -13.340 2.162 1.00 0.00 C ATOM 134 CE3 TRP A 12 21.006 -15.514 1.113 1.00 0.00 C ATOM 135 CZ2 TRP A 12 19.581 -13.430 2.384 1.00 0.00 C ATOM 136 CZ3 TRP A 12 19.644 -15.603 1.333 1.00 0.00 C ATOM 137 CH2 TRP A 12 18.944 -14.566 1.963 1.00 0.00 C ATOM 0 H TRP A 12 25.451 -12.711 0.125 1.00 0.00 H new ATOM 0 HA TRP A 12 25.066 -15.179 -1.020 1.00 0.00 H new ATOM 0 HB2 TRP A 12 24.023 -15.767 1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 12 25.105 -14.460 1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 12 23.981 -12.104 2.168 1.00 0.00 H new ATOM 0 HE1 TRP A 12 21.596 -11.462 2.936 1.00 0.00 H new ATOM 0 HE3 TRP A 12 21.537 -16.318 0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 19.039 -12.632 2.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 19.111 -16.486 1.014 1.00 0.00 H new ATOM 0 HH2 TRP A 12 17.880 -14.665 2.120 1.00 0.00 H new ATOM 148 N GLU A 13 22.405 -13.265 -1.284 1.00 0.00 N ATOM 149 CA GLU A 13 21.118 -13.132 -1.956 1.00 0.00 C ATOM 150 C GLU A 13 21.294 -13.122 -3.472 1.00 0.00 C ATOM 151 O GLU A 13 20.453 -13.638 -4.209 1.00 0.00 O ATOM 152 CB GLU A 13 20.413 -11.851 -1.505 1.00 0.00 C ATOM 153 CG GLU A 13 19.444 -12.063 -0.353 1.00 0.00 C ATOM 154 CD GLU A 13 18.065 -11.501 -0.640 1.00 0.00 C ATOM 155 OE1 GLU A 13 17.574 -11.685 -1.774 1.00 0.00 O ATOM 156 OE2 GLU A 13 17.477 -10.878 0.268 1.00 0.00 O ATOM 0 H GLU A 13 22.706 -12.431 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 13 20.505 -13.991 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.163 -11.119 -1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 13 19.872 -11.427 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 13 19.361 -13.130 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 13 19.844 -11.592 0.545 1.00 0.00 H new ATOM 163 N PHE A 14 22.392 -12.531 -3.931 1.00 0.00 N ATOM 164 CA PHE A 14 22.678 -12.451 -5.358 1.00 0.00 C ATOM 165 C PHE A 14 22.945 -13.838 -5.937 1.00 0.00 C ATOM 166 O PHE A 14 22.340 -14.234 -6.934 1.00 0.00 O ATOM 167 CB PHE A 14 23.882 -11.542 -5.609 1.00 0.00 C ATOM 168 CG PHE A 14 24.598 -11.835 -6.896 1.00 0.00 C ATOM 169 CD1 PHE A 14 25.593 -12.798 -6.947 1.00 0.00 C ATOM 170 CD2 PHE A 14 24.276 -11.148 -8.056 1.00 0.00 C ATOM 171 CE1 PHE A 14 26.254 -13.071 -8.130 1.00 0.00 C ATOM 172 CE2 PHE A 14 24.932 -11.417 -9.242 1.00 0.00 C ATOM 173 CZ PHE A 14 25.923 -12.379 -9.279 1.00 0.00 C ATOM 0 H PHE A 14 23.099 -12.100 -3.335 1.00 0.00 H new ATOM 0 HA PHE A 14 21.804 -12.030 -5.855 1.00 0.00 H new ATOM 0 HB2 PHE A 14 23.548 -10.504 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.583 -11.645 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 14 25.855 -13.342 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 14 23.503 -10.394 -8.033 1.00 0.00 H new ATOM 0 HE1 PHE A 14 27.028 -13.824 -8.156 1.00 0.00 H new ATOM 0 HE2 PHE A 14 24.670 -10.876 -10.139 1.00 0.00 H new ATOM 0 HZ PHE A 14 26.438 -12.590 -10.205 1.00 0.00 H new ATOM 183 N VAL A 15 23.855 -14.572 -5.305 1.00 0.00 N ATOM 184 CA VAL A 15 24.203 -15.914 -5.756 1.00 0.00 C ATOM 185 C VAL A 15 23.013 -16.859 -5.636 1.00 0.00 C ATOM 186 O VAL A 15 22.809 -17.728 -6.485 1.00 0.00 O ATOM 187 CB VAL A 15 25.384 -16.488 -4.951 1.00 0.00 C ATOM 188 CG1 VAL A 15 25.155 -16.300 -3.459 1.00 0.00 C ATOM 189 CG2 VAL A 15 25.591 -17.958 -5.285 1.00 0.00 C ATOM 0 H VAL A 15 24.365 -14.260 -4.479 1.00 0.00 H new ATOM 0 HA VAL A 15 24.493 -15.831 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 15 26.288 -15.945 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 15 26.000 -16.712 -2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.059 -15.237 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.242 -16.816 -3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 15 26.429 -18.348 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 15 24.689 -18.518 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 15 25.803 -18.063 -6.349 1.00 0.00 H new ATOM 199 N ARG A 16 22.229 -16.684 -4.577 1.00 0.00 N ATOM 200 CA ARG A 16 21.059 -17.522 -4.345 1.00 0.00 C ATOM 201 C ARG A 16 19.956 -17.205 -5.351 1.00 0.00 C ATOM 202 O ARG A 16 19.371 -18.108 -5.950 1.00 0.00 O ATOM 203 CB ARG A 16 20.537 -17.324 -2.921 1.00 0.00 C ATOM 204 CG ARG A 16 19.411 -18.273 -2.547 1.00 0.00 C ATOM 205 CD ARG A 16 18.275 -17.542 -1.849 1.00 0.00 C ATOM 206 NE ARG A 16 17.757 -16.439 -2.654 1.00 0.00 N ATOM 207 CZ ARG A 16 16.817 -15.600 -2.233 1.00 0.00 C ATOM 208 NH1 ARG A 16 16.296 -15.737 -1.022 1.00 0.00 N ATOM 209 NH2 ARG A 16 16.398 -14.620 -3.024 1.00 0.00 N ATOM 0 H ARG A 16 22.383 -15.969 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 16 21.357 -18.563 -4.474 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.361 -17.457 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.187 -16.298 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 16 19.033 -18.762 -3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 16 19.796 -19.057 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.469 -18.244 -1.635 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.626 -17.158 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 16 18.138 -16.306 -3.591 1.00 0.00 H new ATOM 0 HH11 ARG A 16 16.617 -16.488 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 16 15.574 -15.091 -0.701 1.00 0.00 H new ATOM 0 HH21 ARG A 16 16.798 -14.511 -3.956 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.676 -13.976 -2.700 1.00 0.00 H new ATOM 223 N ASP A 17 19.677 -15.919 -5.530 1.00 0.00 N ATOM 224 CA ASP A 17 18.645 -15.483 -6.463 1.00 0.00 C ATOM 225 C ASP A 17 18.844 -16.125 -7.833 1.00 0.00 C ATOM 226 O ASP A 17 17.882 -16.524 -8.489 1.00 0.00 O ATOM 227 CB ASP A 17 18.656 -13.959 -6.594 1.00 0.00 C ATOM 228 CG ASP A 17 17.438 -13.432 -7.327 1.00 0.00 C ATOM 229 OD1 ASP A 17 16.945 -14.131 -8.238 1.00 0.00 O ATOM 230 OD2 ASP A 17 16.978 -12.321 -6.990 1.00 0.00 O ATOM 0 H ASP A 17 20.151 -15.160 -5.041 1.00 0.00 H new ATOM 0 HA ASP A 17 17.679 -15.799 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.700 -13.512 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 17 19.557 -13.649 -7.123 1.00 0.00 H new ATOM 235 N LEU A 18 20.099 -16.220 -8.259 1.00 0.00 N ATOM 236 CA LEU A 18 20.426 -16.812 -9.551 1.00 0.00 C ATOM 237 C LEU A 18 19.772 -18.182 -9.703 1.00 0.00 C ATOM 238 O LEU A 18 19.255 -18.520 -10.768 1.00 0.00 O ATOM 239 CB LEU A 18 21.942 -16.937 -9.709 1.00 0.00 C ATOM 240 CG LEU A 18 22.677 -15.672 -10.154 1.00 0.00 C ATOM 241 CD1 LEU A 18 24.145 -15.742 -9.762 1.00 0.00 C ATOM 242 CD2 LEU A 18 22.533 -15.472 -11.656 1.00 0.00 C ATOM 0 H LEU A 18 20.907 -15.894 -7.728 1.00 0.00 H new ATOM 0 HA LEU A 18 20.039 -16.156 -10.331 1.00 0.00 H new ATOM 0 HB2 LEU A 18 22.361 -17.260 -8.756 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.148 -17.726 -10.432 1.00 0.00 H new ATOM 0 HG LEU A 18 22.228 -14.817 -9.649 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.652 -14.833 -10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 18 24.228 -15.837 -8.679 1.00 0.00 H new ATOM 0 HD13 LEU A 18 24.608 -16.606 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 18 23.062 -14.567 -11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 18 22.956 -16.329 -12.179 1.00 0.00 H new ATOM 0 HD23 LEU A 18 21.478 -15.376 -11.911 1.00 0.00 H new ATOM 254 N LEU A 19 19.798 -18.966 -8.631 1.00 0.00 N ATOM 255 CA LEU A 19 19.207 -20.299 -8.643 1.00 0.00 C ATOM 256 C LEU A 19 17.695 -20.222 -8.832 1.00 0.00 C ATOM 257 O LEU A 19 17.110 -21.013 -9.574 1.00 0.00 O ATOM 258 CB LEU A 19 19.533 -21.036 -7.343 1.00 0.00 C ATOM 259 CG LEU A 19 20.968 -21.543 -7.201 1.00 0.00 C ATOM 260 CD1 LEU A 19 21.458 -21.365 -5.772 1.00 0.00 C ATOM 261 CD2 LEU A 19 21.062 -23.002 -7.621 1.00 0.00 C ATOM 0 H LEU A 19 20.222 -18.701 -7.742 1.00 0.00 H new ATOM 0 HA LEU A 19 19.632 -20.850 -9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 19 19.320 -20.369 -6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 19 18.858 -21.887 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 19 21.608 -20.955 -7.859 1.00 0.00 H new ATOM 0 HD11 LEU A 19 22.481 -21.731 -5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.429 -20.308 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 19 20.816 -21.928 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 19 22.091 -23.346 -7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 19 20.410 -23.605 -6.989 1.00 0.00 H new ATOM 0 HD23 LEU A 19 20.753 -23.102 -8.662 1.00 0.00 H new ATOM 273 N LEU A 20 17.068 -19.264 -8.158 1.00 0.00 N ATOM 274 CA LEU A 20 15.624 -19.082 -8.253 1.00 0.00 C ATOM 275 C LEU A 20 15.252 -18.331 -9.528 1.00 0.00 C ATOM 276 O LEU A 20 14.107 -18.377 -9.976 1.00 0.00 O ATOM 277 CB LEU A 20 15.104 -18.323 -7.031 1.00 0.00 C ATOM 278 CG LEU A 20 15.787 -18.645 -5.701 1.00 0.00 C ATOM 279 CD1 LEU A 20 15.161 -17.842 -4.571 1.00 0.00 C ATOM 280 CD2 LEU A 20 15.705 -20.136 -5.407 1.00 0.00 C ATOM 0 H LEU A 20 17.537 -18.602 -7.540 1.00 0.00 H new ATOM 0 HA LEU A 20 15.160 -20.068 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.208 -17.255 -7.221 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.038 -18.527 -6.928 1.00 0.00 H new ATOM 0 HG LEU A 20 16.838 -18.367 -5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.660 -18.084 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.272 -16.777 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 20 14.102 -18.088 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 20 16.196 -20.347 -4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.659 -20.439 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.201 -20.692 -6.203 1.00 0.00 H new ATOM 292 N SER A 21 16.229 -17.641 -10.108 1.00 0.00 N ATOM 293 CA SER A 21 16.005 -16.878 -11.330 1.00 0.00 C ATOM 294 C SER A 21 16.786 -17.478 -12.496 1.00 0.00 C ATOM 295 O SER A 21 17.862 -17.005 -12.863 1.00 0.00 O ATOM 296 CB SER A 21 16.411 -15.417 -11.127 1.00 0.00 C ATOM 297 OG SER A 21 15.423 -14.710 -10.398 1.00 0.00 O ATOM 0 H SER A 21 17.183 -17.595 -9.751 1.00 0.00 H new ATOM 0 HA SER A 21 14.942 -16.922 -11.566 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.362 -15.371 -10.596 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.563 -14.941 -12.095 1.00 0.00 H new ATOM 0 HG SER A 21 15.834 -14.286 -9.616 1.00 0.00 H new ATOM 303 N PRO A 22 16.233 -18.544 -13.092 1.00 0.00 N ATOM 304 CA PRO A 22 16.859 -19.232 -14.225 1.00 0.00 C ATOM 305 C PRO A 22 16.842 -18.390 -15.496 1.00 0.00 C ATOM 306 O PRO A 22 17.533 -18.700 -16.465 1.00 0.00 O ATOM 307 CB PRO A 22 15.997 -20.484 -14.401 1.00 0.00 C ATOM 308 CG PRO A 22 14.669 -20.112 -13.836 1.00 0.00 C ATOM 309 CD PRO A 22 14.952 -19.161 -12.706 1.00 0.00 C ATOM 0 HA PRO A 22 17.912 -19.446 -14.040 1.00 0.00 H new ATOM 0 HB2 PRO A 22 15.916 -20.764 -15.451 1.00 0.00 H new ATOM 0 HB3 PRO A 22 16.426 -21.337 -13.875 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.040 -19.643 -14.593 1.00 0.00 H new ATOM 0 HG3 PRO A 22 14.135 -20.993 -13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.163 -18.416 -12.600 1.00 0.00 H new ATOM 0 HD3 PRO A 22 15.028 -19.682 -11.752 1.00 0.00 H new ATOM 317 N GLU A 23 16.048 -17.323 -15.483 1.00 0.00 N ATOM 318 CA GLU A 23 15.942 -16.437 -16.636 1.00 0.00 C ATOM 319 C GLU A 23 17.184 -15.561 -16.766 1.00 0.00 C ATOM 320 O GLU A 23 17.553 -15.148 -17.865 1.00 0.00 O ATOM 321 CB GLU A 23 14.695 -15.558 -16.518 1.00 0.00 C ATOM 322 CG GLU A 23 13.584 -15.946 -17.480 1.00 0.00 C ATOM 323 CD GLU A 23 12.257 -15.301 -17.129 1.00 0.00 C ATOM 324 OE1 GLU A 23 12.186 -14.054 -17.132 1.00 0.00 O ATOM 325 OE2 GLU A 23 11.291 -16.042 -16.853 1.00 0.00 O ATOM 0 H GLU A 23 15.470 -17.052 -14.688 1.00 0.00 H new ATOM 0 HA GLU A 23 15.860 -17.055 -17.530 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.316 -15.614 -15.497 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.974 -14.520 -16.698 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.868 -15.657 -18.492 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.469 -17.030 -17.478 1.00 0.00 H new ATOM 332 N GLU A 24 17.825 -15.282 -15.635 1.00 0.00 N ATOM 333 CA GLU A 24 19.026 -14.454 -15.622 1.00 0.00 C ATOM 334 C GLU A 24 20.279 -15.315 -15.491 1.00 0.00 C ATOM 335 O GLU A 24 21.268 -15.099 -16.189 1.00 0.00 O ATOM 336 CB GLU A 24 18.964 -13.445 -14.473 1.00 0.00 C ATOM 337 CG GLU A 24 18.514 -12.059 -14.904 1.00 0.00 C ATOM 338 CD GLU A 24 19.625 -11.031 -14.814 1.00 0.00 C ATOM 339 OE1 GLU A 24 20.783 -11.382 -15.124 1.00 0.00 O ATOM 340 OE2 GLU A 24 19.337 -9.877 -14.434 1.00 0.00 O ATOM 0 H GLU A 24 17.533 -15.617 -14.717 1.00 0.00 H new ATOM 0 HA GLU A 24 19.075 -13.914 -16.568 1.00 0.00 H new ATOM 0 HB2 GLU A 24 18.282 -13.818 -13.709 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.949 -13.371 -14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.147 -12.103 -15.929 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.679 -11.742 -14.280 1.00 0.00 H new ATOM 347 N ASN A 25 20.228 -16.291 -14.590 1.00 0.00 N ATOM 348 CA ASN A 25 21.359 -17.184 -14.365 1.00 0.00 C ATOM 349 C ASN A 25 21.575 -18.100 -15.566 1.00 0.00 C ATOM 350 O ASN A 25 20.650 -18.776 -16.018 1.00 0.00 O ATOM 351 CB ASN A 25 21.132 -18.020 -13.104 1.00 0.00 C ATOM 352 CG ASN A 25 22.194 -19.088 -12.921 1.00 0.00 C ATOM 353 OD1 ASN A 25 23.261 -19.029 -13.531 1.00 0.00 O ATOM 354 ND2 ASN A 25 21.904 -20.071 -12.077 1.00 0.00 N ATOM 0 H ASN A 25 19.416 -16.484 -14.004 1.00 0.00 H new ATOM 0 HA ASN A 25 22.252 -16.574 -14.231 1.00 0.00 H new ATOM 0 HB2 ASN A 25 21.125 -17.365 -12.233 1.00 0.00 H new ATOM 0 HB3 ASN A 25 20.151 -18.492 -13.156 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.579 -20.818 -11.913 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.006 -20.079 -11.593 1.00 0.00 H new ATOM 361 N CYS A 26 22.801 -18.118 -16.076 1.00 0.00 N ATOM 362 CA CYS A 26 23.139 -18.952 -17.224 1.00 0.00 C ATOM 363 C CYS A 26 24.171 -20.008 -16.844 1.00 0.00 C ATOM 364 O CYS A 26 25.372 -19.811 -17.024 1.00 0.00 O ATOM 365 CB CYS A 26 23.673 -18.088 -18.368 1.00 0.00 C ATOM 366 SG CYS A 26 22.839 -18.359 -19.949 1.00 0.00 S ATOM 0 H CYS A 26 23.577 -17.565 -15.713 1.00 0.00 H new ATOM 0 HA CYS A 26 22.232 -19.459 -17.553 1.00 0.00 H new ATOM 0 HB2 CYS A 26 23.574 -17.038 -18.093 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.738 -18.286 -18.492 1.00 0.00 H new ATOM 0 HG CYS A 26 23.359 -17.582 -20.853 1.00 0.00 H new ATOM 372 N GLY A 27 23.694 -21.131 -16.315 1.00 0.00 N ATOM 373 CA GLY A 27 24.588 -22.202 -15.916 1.00 0.00 C ATOM 374 C GLY A 27 25.687 -21.724 -14.988 1.00 0.00 C ATOM 375 O GLY A 27 26.829 -22.173 -15.084 1.00 0.00 O ATOM 0 H GLY A 27 22.704 -21.318 -16.156 1.00 0.00 H new ATOM 0 HA2 GLY A 27 24.014 -22.985 -15.421 1.00 0.00 H new ATOM 0 HA3 GLY A 27 25.035 -22.648 -16.804 1.00 0.00 H new ATOM 379 N ILE A 28 25.342 -20.809 -14.087 1.00 0.00 N ATOM 380 CA ILE A 28 26.308 -20.270 -13.139 1.00 0.00 C ATOM 381 C ILE A 28 26.347 -21.101 -11.861 1.00 0.00 C ATOM 382 O ILE A 28 27.404 -21.280 -11.255 1.00 0.00 O ATOM 383 CB ILE A 28 25.987 -18.808 -12.777 1.00 0.00 C ATOM 384 CG1 ILE A 28 25.844 -17.965 -14.047 1.00 0.00 C ATOM 385 CG2 ILE A 28 27.068 -18.235 -11.874 1.00 0.00 C ATOM 386 CD1 ILE A 28 25.460 -16.527 -13.778 1.00 0.00 C ATOM 0 H ILE A 28 24.401 -20.426 -13.994 1.00 0.00 H new ATOM 0 HA ILE A 28 27.283 -20.310 -13.626 1.00 0.00 H new ATOM 0 HB ILE A 28 25.040 -18.783 -12.237 1.00 0.00 H new ATOM 0 HG12 ILE A 28 26.786 -17.985 -14.594 1.00 0.00 H new ATOM 0 HG13 ILE A 28 25.091 -18.419 -14.692 1.00 0.00 H new ATOM 0 HG21 ILE A 28 26.826 -17.201 -11.628 1.00 0.00 H new ATOM 0 HG22 ILE A 28 27.126 -18.823 -10.958 1.00 0.00 H new ATOM 0 HG23 ILE A 28 28.028 -18.270 -12.389 1.00 0.00 H new ATOM 0 HD11 ILE A 28 25.377 -15.990 -14.723 1.00 0.00 H new ATOM 0 HD12 ILE A 28 24.502 -16.497 -13.258 1.00 0.00 H new ATOM 0 HD13 ILE A 28 26.224 -16.056 -13.159 1.00 0.00 H new ATOM 398 N LEU A 29 25.187 -21.608 -11.456 1.00 0.00 N ATOM 399 CA LEU A 29 25.087 -22.423 -10.250 1.00 0.00 C ATOM 400 C LEU A 29 24.281 -23.690 -10.515 1.00 0.00 C ATOM 401 O LEU A 29 23.697 -23.853 -11.586 1.00 0.00 O ATOM 402 CB LEU A 29 24.441 -21.620 -9.120 1.00 0.00 C ATOM 403 CG LEU A 29 25.032 -20.234 -8.858 1.00 0.00 C ATOM 404 CD1 LEU A 29 23.938 -19.251 -8.474 1.00 0.00 C ATOM 405 CD2 LEU A 29 26.095 -20.305 -7.771 1.00 0.00 C ATOM 0 H LEU A 29 24.303 -21.469 -11.945 1.00 0.00 H new ATOM 0 HA LEU A 29 26.095 -22.712 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 29 23.381 -21.504 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 29 24.511 -22.202 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 29 25.502 -19.881 -9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.378 -18.270 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 29 23.213 -19.178 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 29 23.438 -19.598 -7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 29 26.505 -19.310 -7.597 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.649 -20.679 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.894 -20.976 -8.086 1.00 0.00 H new ATOM 417 N GLU A 30 24.252 -24.583 -9.531 1.00 0.00 N ATOM 418 CA GLU A 30 23.515 -25.835 -9.658 1.00 0.00 C ATOM 419 C GLU A 30 22.913 -26.250 -8.318 1.00 0.00 C ATOM 420 O GLU A 30 23.518 -26.049 -7.265 1.00 0.00 O ATOM 421 CB GLU A 30 24.433 -26.942 -10.181 1.00 0.00 C ATOM 422 CG GLU A 30 24.506 -27.005 -11.698 1.00 0.00 C ATOM 423 CD GLU A 30 24.106 -28.362 -12.245 1.00 0.00 C ATOM 424 OE1 GLU A 30 24.986 -29.242 -12.349 1.00 0.00 O ATOM 425 OE2 GLU A 30 22.914 -28.543 -12.570 1.00 0.00 O ATOM 0 H GLU A 30 24.730 -24.463 -8.638 1.00 0.00 H new ATOM 0 HA GLU A 30 22.704 -25.679 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 30 25.436 -26.789 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.083 -27.902 -9.802 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.855 -26.240 -12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 30 25.521 -26.773 -12.019 1.00 0.00 H new ATOM 432 N TRP A 31 21.719 -26.830 -8.368 1.00 0.00 N ATOM 433 CA TRP A 31 21.034 -27.273 -7.159 1.00 0.00 C ATOM 434 C TRP A 31 21.428 -28.702 -6.802 1.00 0.00 C ATOM 435 O TRP A 31 20.866 -29.660 -7.333 1.00 0.00 O ATOM 436 CB TRP A 31 19.518 -27.179 -7.343 1.00 0.00 C ATOM 437 CG TRP A 31 18.951 -25.852 -6.938 1.00 0.00 C ATOM 438 CD1 TRP A 31 18.189 -25.018 -7.705 1.00 0.00 C ATOM 439 CD2 TRP A 31 19.104 -25.206 -5.670 1.00 0.00 C ATOM 440 NE1 TRP A 31 17.858 -23.893 -6.990 1.00 0.00 N ATOM 441 CE2 TRP A 31 18.406 -23.984 -5.738 1.00 0.00 C ATOM 442 CE3 TRP A 31 19.760 -25.542 -4.482 1.00 0.00 C ATOM 443 CZ2 TRP A 31 18.349 -23.099 -4.665 1.00 0.00 C ATOM 444 CZ3 TRP A 31 19.702 -24.663 -3.418 1.00 0.00 C ATOM 445 CH2 TRP A 31 19.000 -23.454 -3.514 1.00 0.00 C ATOM 0 H TRP A 31 21.206 -27.004 -9.232 1.00 0.00 H new ATOM 0 HA TRP A 31 21.335 -26.618 -6.341 1.00 0.00 H new ATOM 0 HB2 TRP A 31 19.274 -27.366 -8.389 1.00 0.00 H new ATOM 0 HB3 TRP A 31 19.039 -27.964 -6.758 1.00 0.00 H new ATOM 0 HD1 TRP A 31 17.890 -25.214 -8.724 1.00 0.00 H new ATOM 0 HE1 TRP A 31 17.295 -23.116 -7.335 1.00 0.00 H new ATOM 0 HE3 TRP A 31 20.302 -26.472 -4.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 17.810 -22.166 -4.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 20.206 -24.912 -2.496 1.00 0.00 H new ATOM 0 HH2 TRP A 31 18.972 -22.789 -2.663 1.00 0.00 H new ATOM 456 N GLU A 32 22.396 -28.837 -5.901 1.00 0.00 N ATOM 457 CA GLU A 32 22.864 -30.151 -5.476 1.00 0.00 C ATOM 458 C GLU A 32 21.883 -30.787 -4.495 1.00 0.00 C ATOM 459 O GLU A 32 21.807 -32.010 -4.383 1.00 0.00 O ATOM 460 CB GLU A 32 24.247 -30.039 -4.830 1.00 0.00 C ATOM 461 CG GLU A 32 25.390 -30.354 -5.781 1.00 0.00 C ATOM 462 CD GLU A 32 25.419 -31.812 -6.195 1.00 0.00 C ATOM 463 OE1 GLU A 32 26.073 -32.614 -5.496 1.00 0.00 O ATOM 464 OE2 GLU A 32 24.789 -32.152 -7.218 1.00 0.00 O ATOM 0 H GLU A 32 22.871 -28.054 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 32 22.933 -30.787 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.377 -29.029 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.297 -30.717 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 32 25.301 -29.729 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 32 26.336 -30.097 -5.304 1.00 0.00 H new ATOM 471 N ASP A 33 21.135 -29.947 -3.788 1.00 0.00 N ATOM 472 CA ASP A 33 20.158 -30.426 -2.817 1.00 0.00 C ATOM 473 C ASP A 33 19.212 -29.304 -2.399 1.00 0.00 C ATOM 474 O ASP A 33 19.594 -28.404 -1.652 1.00 0.00 O ATOM 475 CB ASP A 33 20.866 -30.997 -1.588 1.00 0.00 C ATOM 476 CG ASP A 33 20.747 -32.506 -1.499 1.00 0.00 C ATOM 477 OD1 ASP A 33 19.622 -33.000 -1.275 1.00 0.00 O ATOM 478 OD2 ASP A 33 21.778 -33.193 -1.656 1.00 0.00 O ATOM 0 H ASP A 33 21.186 -28.932 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 33 19.572 -31.215 -3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 33 21.920 -30.720 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 33 20.444 -30.549 -0.688 1.00 0.00 H new ATOM 483 N ARG A 34 17.978 -29.365 -2.888 1.00 0.00 N ATOM 484 CA ARG A 34 16.978 -28.353 -2.567 1.00 0.00 C ATOM 485 C ARG A 34 16.580 -28.430 -1.096 1.00 0.00 C ATOM 486 O ARG A 34 16.445 -27.407 -0.426 1.00 0.00 O ATOM 487 CB ARG A 34 15.742 -28.528 -3.451 1.00 0.00 C ATOM 488 CG ARG A 34 16.042 -28.450 -4.939 1.00 0.00 C ATOM 489 CD ARG A 34 16.465 -27.048 -5.349 1.00 0.00 C ATOM 490 NE ARG A 34 15.319 -26.161 -5.529 1.00 0.00 N ATOM 491 CZ ARG A 34 14.790 -25.436 -4.550 1.00 0.00 C ATOM 492 NH1 ARG A 34 15.301 -25.492 -3.328 1.00 0.00 N ATOM 493 NH2 ARG A 34 13.748 -24.652 -4.793 1.00 0.00 N ATOM 0 H ARG A 34 17.646 -30.104 -3.508 1.00 0.00 H new ATOM 0 HA ARG A 34 17.415 -27.373 -2.757 1.00 0.00 H new ATOM 0 HB2 ARG A 34 15.282 -29.492 -3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 34 15.011 -27.761 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.832 -29.158 -5.190 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.159 -28.745 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.129 -26.633 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.034 -27.098 -6.277 1.00 0.00 H new ATOM 0 HE ARG A 34 14.902 -26.095 -6.457 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.103 -26.093 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.892 -24.934 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.353 -24.606 -5.732 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.342 -24.095 -4.041 1.00 0.00 H new ATOM 507 N GLU A 35 16.393 -29.650 -0.602 1.00 0.00 N ATOM 508 CA GLU A 35 16.008 -29.859 0.789 1.00 0.00 C ATOM 509 C GLU A 35 17.062 -29.293 1.736 1.00 0.00 C ATOM 510 O GLU A 35 16.747 -28.518 2.639 1.00 0.00 O ATOM 511 CB GLU A 35 15.806 -31.351 1.067 1.00 0.00 C ATOM 512 CG GLU A 35 14.425 -31.859 0.688 1.00 0.00 C ATOM 513 CD GLU A 35 14.253 -33.340 0.962 1.00 0.00 C ATOM 514 OE1 GLU A 35 14.604 -33.782 2.076 1.00 0.00 O ATOM 515 OE2 GLU A 35 13.767 -34.057 0.062 1.00 0.00 O ATOM 0 H GLU A 35 16.502 -30.508 -1.144 1.00 0.00 H new ATOM 0 HA GLU A 35 15.069 -29.334 0.962 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.556 -31.919 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 35 15.976 -31.541 2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.671 -31.301 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.249 -31.666 -0.370 1.00 0.00 H new ATOM 522 N GLN A 36 18.314 -29.686 1.523 1.00 0.00 N ATOM 523 CA GLN A 36 19.414 -29.219 2.358 1.00 0.00 C ATOM 524 C GLN A 36 19.788 -27.781 2.011 1.00 0.00 C ATOM 525 O GLN A 36 20.207 -27.013 2.876 1.00 0.00 O ATOM 526 CB GLN A 36 20.631 -30.130 2.191 1.00 0.00 C ATOM 527 CG GLN A 36 20.299 -31.611 2.272 1.00 0.00 C ATOM 528 CD GLN A 36 21.335 -32.400 3.047 1.00 0.00 C ATOM 529 OE1 GLN A 36 22.263 -32.965 2.468 1.00 0.00 O ATOM 530 NE2 GLN A 36 21.181 -32.443 4.366 1.00 0.00 N ATOM 0 H GLN A 36 18.591 -30.327 0.779 1.00 0.00 H new ATOM 0 HA GLN A 36 19.087 -29.249 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 36 21.099 -29.923 1.229 1.00 0.00 H new ATOM 0 HB3 GLN A 36 21.364 -29.888 2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 36 19.325 -31.736 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 36 20.218 -32.017 1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.397 -31.960 4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.847 -32.959 4.941 1.00 0.00 H new ATOM 539 N GLY A 37 19.633 -27.425 0.740 1.00 0.00 N ATOM 540 CA GLY A 37 19.960 -26.081 0.301 1.00 0.00 C ATOM 541 C GLY A 37 21.381 -25.968 -0.212 1.00 0.00 C ATOM 542 O GLY A 37 21.982 -24.894 -0.164 1.00 0.00 O ATOM 0 H GLY A 37 19.287 -28.043 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 37 19.268 -25.781 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.820 -25.387 1.130 1.00 0.00 H new ATOM 546 N ILE A 38 21.921 -27.078 -0.703 1.00 0.00 N ATOM 547 CA ILE A 38 23.281 -27.098 -1.227 1.00 0.00 C ATOM 548 C ILE A 38 23.308 -26.718 -2.704 1.00 0.00 C ATOM 549 O ILE A 38 22.485 -27.186 -3.491 1.00 0.00 O ATOM 550 CB ILE A 38 23.931 -28.484 -1.054 1.00 0.00 C ATOM 551 CG1 ILE A 38 23.962 -28.876 0.425 1.00 0.00 C ATOM 552 CG2 ILE A 38 25.335 -28.487 -1.638 1.00 0.00 C ATOM 553 CD1 ILE A 38 23.969 -30.371 0.654 1.00 0.00 C ATOM 0 H ILE A 38 21.438 -27.975 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 38 23.849 -26.365 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 38 23.333 -29.219 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 38 24.847 -28.441 0.889 1.00 0.00 H new ATOM 0 HG13 ILE A 38 23.095 -28.444 0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 38 25.781 -29.473 -1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 38 25.288 -28.247 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 38 25.944 -27.743 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 38 23.991 -30.575 1.725 1.00 0.00 H new ATOM 0 HD12 ILE A 38 23.071 -30.810 0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 38 24.850 -30.807 0.183 1.00 0.00 H new ATOM 565 N PHE A 39 24.259 -25.867 -3.073 1.00 0.00 N ATOM 566 CA PHE A 39 24.394 -25.424 -4.456 1.00 0.00 C ATOM 567 C PHE A 39 25.859 -25.413 -4.883 1.00 0.00 C ATOM 568 O PHE A 39 26.752 -25.184 -4.068 1.00 0.00 O ATOM 569 CB PHE A 39 23.790 -24.028 -4.628 1.00 0.00 C ATOM 570 CG PHE A 39 24.513 -22.963 -3.853 1.00 0.00 C ATOM 571 CD1 PHE A 39 24.291 -22.805 -2.494 1.00 0.00 C ATOM 572 CD2 PHE A 39 25.413 -22.120 -4.484 1.00 0.00 C ATOM 573 CE1 PHE A 39 24.954 -21.826 -1.779 1.00 0.00 C ATOM 574 CE2 PHE A 39 26.080 -21.140 -3.773 1.00 0.00 C ATOM 575 CZ PHE A 39 25.849 -20.992 -2.419 1.00 0.00 C ATOM 0 H PHE A 39 24.948 -25.470 -2.434 1.00 0.00 H new ATOM 0 HA PHE A 39 23.854 -26.127 -5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.798 -23.765 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 39 22.747 -24.051 -4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 39 23.592 -23.454 -1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 39 25.596 -22.230 -5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 39 24.772 -21.713 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 39 26.781 -20.490 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 39 26.367 -20.225 -1.862 1.00 0.00 H new ATOM 585 N ARG A 40 26.096 -25.663 -6.167 1.00 0.00 N ATOM 586 CA ARG A 40 27.452 -25.684 -6.703 1.00 0.00 C ATOM 587 C ARG A 40 27.693 -24.488 -7.619 1.00 0.00 C ATOM 588 O ARG A 40 26.804 -24.072 -8.362 1.00 0.00 O ATOM 589 CB ARG A 40 27.700 -26.985 -7.469 1.00 0.00 C ATOM 590 CG ARG A 40 28.984 -26.977 -8.282 1.00 0.00 C ATOM 591 CD ARG A 40 29.079 -28.198 -9.184 1.00 0.00 C ATOM 592 NE ARG A 40 30.427 -28.382 -9.715 1.00 0.00 N ATOM 593 CZ ARG A 40 30.856 -29.518 -10.254 1.00 0.00 C ATOM 594 NH1 ARG A 40 30.047 -30.565 -10.332 1.00 0.00 N ATOM 595 NH2 ARG A 40 32.097 -29.608 -10.716 1.00 0.00 N ATOM 0 H ARG A 40 25.367 -25.854 -6.855 1.00 0.00 H new ATOM 0 HA ARG A 40 28.148 -25.625 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 40 27.733 -27.813 -6.761 1.00 0.00 H new ATOM 0 HB3 ARG A 40 26.858 -27.170 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 40 29.027 -26.072 -8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 40 29.842 -26.952 -7.610 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.785 -29.086 -8.624 1.00 0.00 H new ATOM 0 HD3 ARG A 40 28.375 -28.095 -10.010 1.00 0.00 H new ATOM 0 HE ARG A 40 31.075 -27.595 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 40 29.093 -30.500 -9.978 1.00 0.00 H new ATOM 0 HH12 ARG A 40 30.379 -31.436 -10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 40 32.723 -28.804 -10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 40 32.425 -30.481 -11.130 1.00 0.00 H new ATOM 609 N VAL A 41 28.901 -23.938 -7.559 1.00 0.00 N ATOM 610 CA VAL A 41 29.260 -22.789 -8.383 1.00 0.00 C ATOM 611 C VAL A 41 29.880 -23.233 -9.703 1.00 0.00 C ATOM 612 O VAL A 41 31.102 -23.277 -9.844 1.00 0.00 O ATOM 613 CB VAL A 41 30.247 -21.860 -7.652 1.00 0.00 C ATOM 614 CG1 VAL A 41 30.629 -20.684 -8.537 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.649 -21.377 -6.338 1.00 0.00 C ATOM 0 H VAL A 41 29.648 -24.269 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 41 28.338 -22.242 -8.583 1.00 0.00 H new ATOM 0 HB VAL A 41 31.152 -22.424 -7.428 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.327 -20.039 -8.003 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.100 -21.052 -9.448 1.00 0.00 H new ATOM 0 HG13 VAL A 41 29.735 -20.117 -8.794 1.00 0.00 H new ATOM 0 HG21 VAL A 41 30.359 -20.722 -5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.728 -20.829 -6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 41 29.431 -22.234 -5.701 1.00 0.00 H new ATOM 625 N VAL A 42 29.029 -23.560 -10.670 1.00 0.00 N ATOM 626 CA VAL A 42 29.493 -23.999 -11.981 1.00 0.00 C ATOM 627 C VAL A 42 30.450 -22.983 -12.594 1.00 0.00 C ATOM 628 O VAL A 42 31.536 -23.335 -13.054 1.00 0.00 O ATOM 629 CB VAL A 42 28.314 -24.225 -12.947 1.00 0.00 C ATOM 630 CG1 VAL A 42 28.817 -24.701 -14.301 1.00 0.00 C ATOM 631 CG2 VAL A 42 27.325 -25.218 -12.357 1.00 0.00 C ATOM 0 H VAL A 42 28.014 -23.529 -10.570 1.00 0.00 H new ATOM 0 HA VAL A 42 30.017 -24.943 -11.831 1.00 0.00 H new ATOM 0 HB VAL A 42 27.798 -23.276 -13.091 1.00 0.00 H new ATOM 0 HG11 VAL A 42 27.970 -24.855 -14.970 1.00 0.00 H new ATOM 0 HG12 VAL A 42 29.483 -23.950 -14.726 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.358 -25.639 -14.179 1.00 0.00 H new ATOM 0 HG21 VAL A 42 26.499 -25.366 -13.053 1.00 0.00 H new ATOM 0 HG22 VAL A 42 27.826 -26.170 -12.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 26.940 -24.831 -11.413 1.00 0.00 H new ATOM 641 N LYS A 43 30.040 -21.719 -12.595 1.00 0.00 N ATOM 642 CA LYS A 43 30.861 -20.649 -13.149 1.00 0.00 C ATOM 643 C LYS A 43 31.324 -19.695 -12.053 1.00 0.00 C ATOM 644 O LYS A 43 30.549 -18.872 -11.565 1.00 0.00 O ATOM 645 CB LYS A 43 30.079 -19.877 -14.215 1.00 0.00 C ATOM 646 CG LYS A 43 29.764 -20.699 -15.453 1.00 0.00 C ATOM 647 CD LYS A 43 28.749 -20.001 -16.342 1.00 0.00 C ATOM 648 CE LYS A 43 28.588 -20.719 -17.674 1.00 0.00 C ATOM 649 NZ LYS A 43 29.591 -20.262 -18.675 1.00 0.00 N ATOM 0 H LYS A 43 29.144 -21.411 -12.218 1.00 0.00 H new ATOM 0 HA LYS A 43 31.740 -21.101 -13.608 1.00 0.00 H new ATOM 0 HB2 LYS A 43 29.146 -19.518 -13.780 1.00 0.00 H new ATOM 0 HB3 LYS A 43 30.653 -18.998 -14.509 1.00 0.00 H new ATOM 0 HG2 LYS A 43 30.680 -20.877 -16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 43 29.379 -21.674 -15.155 1.00 0.00 H new ATOM 0 HD2 LYS A 43 27.786 -19.957 -15.832 1.00 0.00 H new ATOM 0 HD3 LYS A 43 29.064 -18.972 -16.518 1.00 0.00 H new ATOM 0 HE2 LYS A 43 28.690 -21.794 -17.522 1.00 0.00 H new ATOM 0 HE3 LYS A 43 27.584 -20.546 -18.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 29.448 -20.775 -19.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 29.477 -19.241 -18.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 30.549 -20.450 -18.317 1.00 0.00 H new ATOM 663 N SER A 44 32.592 -19.810 -11.671 1.00 0.00 N ATOM 664 CA SER A 44 33.157 -18.959 -10.630 1.00 0.00 C ATOM 665 C SER A 44 33.501 -17.579 -11.184 1.00 0.00 C ATOM 666 O SER A 44 33.599 -16.606 -10.437 1.00 0.00 O ATOM 667 CB SER A 44 34.407 -19.608 -10.034 1.00 0.00 C ATOM 668 OG SER A 44 35.452 -19.676 -10.990 1.00 0.00 O ATOM 0 H SER A 44 33.247 -20.484 -12.067 1.00 0.00 H new ATOM 0 HA SER A 44 32.409 -18.841 -9.846 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.739 -19.036 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 44 34.167 -20.611 -9.681 1.00 0.00 H new ATOM 0 HG SER A 44 36.240 -20.093 -10.584 1.00 0.00 H new ATOM 674 N GLU A 45 33.684 -17.505 -12.499 1.00 0.00 N ATOM 675 CA GLU A 45 34.019 -16.245 -13.153 1.00 0.00 C ATOM 676 C GLU A 45 32.758 -15.447 -13.472 1.00 0.00 C ATOM 677 O GLU A 45 32.778 -14.217 -13.493 1.00 0.00 O ATOM 678 CB GLU A 45 34.810 -16.506 -14.436 1.00 0.00 C ATOM 679 CG GLU A 45 34.151 -17.514 -15.363 1.00 0.00 C ATOM 680 CD GLU A 45 34.669 -17.423 -16.785 1.00 0.00 C ATOM 681 OE1 GLU A 45 35.824 -17.835 -17.023 1.00 0.00 O ATOM 682 OE2 GLU A 45 33.920 -16.941 -17.661 1.00 0.00 O ATOM 0 H GLU A 45 33.606 -18.301 -13.131 1.00 0.00 H new ATOM 0 HA GLU A 45 34.634 -15.661 -12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 45 34.940 -15.565 -14.970 1.00 0.00 H new ATOM 0 HB3 GLU A 45 35.805 -16.864 -14.173 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.323 -18.520 -14.981 1.00 0.00 H new ATOM 0 HG3 GLU A 45 33.073 -17.353 -15.362 1.00 0.00 H new ATOM 689 N ALA A 46 31.663 -16.157 -13.722 1.00 0.00 N ATOM 690 CA ALA A 46 30.393 -15.515 -14.039 1.00 0.00 C ATOM 691 C ALA A 46 29.704 -15.008 -12.777 1.00 0.00 C ATOM 692 O ALA A 46 29.096 -13.936 -12.777 1.00 0.00 O ATOM 693 CB ALA A 46 29.485 -16.482 -14.785 1.00 0.00 C ATOM 0 H ALA A 46 31.630 -17.176 -13.711 1.00 0.00 H new ATOM 0 HA ALA A 46 30.598 -14.657 -14.680 1.00 0.00 H new ATOM 0 HB1 ALA A 46 28.540 -15.990 -15.015 1.00 0.00 H new ATOM 0 HB2 ALA A 46 29.968 -16.793 -15.712 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.296 -17.357 -14.163 1.00 0.00 H new ATOM 699 N LEU A 47 29.801 -15.783 -11.703 1.00 0.00 N ATOM 700 CA LEU A 47 29.186 -15.412 -10.433 1.00 0.00 C ATOM 701 C LEU A 47 29.777 -14.109 -9.902 1.00 0.00 C ATOM 702 O LEU A 47 29.054 -13.243 -9.411 1.00 0.00 O ATOM 703 CB LEU A 47 29.378 -16.528 -9.405 1.00 0.00 C ATOM 704 CG LEU A 47 28.862 -16.239 -7.995 1.00 0.00 C ATOM 705 CD1 LEU A 47 27.342 -16.267 -7.967 1.00 0.00 C ATOM 706 CD2 LEU A 47 29.435 -17.239 -7.002 1.00 0.00 C ATOM 0 H LEU A 47 30.300 -16.673 -11.686 1.00 0.00 H new ATOM 0 HA LEU A 47 28.120 -15.263 -10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 47 28.881 -17.425 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 47 30.442 -16.756 -9.341 1.00 0.00 H new ATOM 0 HG LEU A 47 29.191 -15.241 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.993 -16.059 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 47 26.952 -15.511 -8.648 1.00 0.00 H new ATOM 0 HD13 LEU A 47 26.990 -17.251 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 47 29.057 -17.018 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 47 29.136 -18.248 -7.288 1.00 0.00 H new ATOM 0 HD23 LEU A 47 30.523 -17.169 -7.002 1.00 0.00 H new ATOM 718 N ALA A 48 31.095 -13.977 -10.007 1.00 0.00 N ATOM 719 CA ALA A 48 31.783 -12.779 -9.541 1.00 0.00 C ATOM 720 C ALA A 48 31.544 -11.607 -10.487 1.00 0.00 C ATOM 721 O ALA A 48 31.216 -10.503 -10.054 1.00 0.00 O ATOM 722 CB ALA A 48 33.273 -13.048 -9.397 1.00 0.00 C ATOM 0 H ALA A 48 31.708 -14.685 -10.411 1.00 0.00 H new ATOM 0 HA ALA A 48 31.378 -12.513 -8.565 1.00 0.00 H new ATOM 0 HB1 ALA A 48 33.774 -12.145 -9.048 1.00 0.00 H new ATOM 0 HB2 ALA A 48 33.430 -13.851 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 48 33.685 -13.341 -10.363 1.00 0.00 H new ATOM 728 N LYS A 49 31.712 -11.854 -11.782 1.00 0.00 N ATOM 729 CA LYS A 49 31.515 -10.820 -12.791 1.00 0.00 C ATOM 730 C LYS A 49 30.141 -10.175 -12.647 1.00 0.00 C ATOM 731 O LYS A 49 30.022 -8.951 -12.592 1.00 0.00 O ATOM 732 CB LYS A 49 31.669 -11.411 -14.194 1.00 0.00 C ATOM 733 CG LYS A 49 33.074 -11.284 -14.757 1.00 0.00 C ATOM 734 CD LYS A 49 33.239 -12.094 -16.032 1.00 0.00 C ATOM 735 CE LYS A 49 34.462 -11.650 -16.820 1.00 0.00 C ATOM 736 NZ LYS A 49 35.617 -12.566 -16.615 1.00 0.00 N ATOM 0 H LYS A 49 31.984 -12.762 -12.158 1.00 0.00 H new ATOM 0 HA LYS A 49 32.275 -10.053 -12.642 1.00 0.00 H new ATOM 0 HB2 LYS A 49 31.391 -12.465 -14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 49 30.971 -10.914 -14.867 1.00 0.00 H new ATOM 0 HG2 LYS A 49 33.292 -10.236 -14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 49 33.797 -11.622 -14.014 1.00 0.00 H new ATOM 0 HD2 LYS A 49 33.329 -13.151 -15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 49 32.348 -11.987 -16.650 1.00 0.00 H new ATOM 0 HE2 LYS A 49 34.215 -11.609 -17.881 1.00 0.00 H new ATOM 0 HE3 LYS A 49 34.741 -10.640 -16.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 36.430 -12.229 -17.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 35.869 -12.586 -15.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 35.360 -13.524 -16.926 1.00 0.00 H new ATOM 750 N MET A 50 29.105 -11.006 -12.585 1.00 0.00 N ATOM 751 CA MET A 50 27.739 -10.516 -12.445 1.00 0.00 C ATOM 752 C MET A 50 27.546 -9.821 -11.101 1.00 0.00 C ATOM 753 O MET A 50 26.940 -8.752 -11.026 1.00 0.00 O ATOM 754 CB MET A 50 26.744 -11.669 -12.584 1.00 0.00 C ATOM 755 CG MET A 50 26.285 -11.907 -14.014 1.00 0.00 C ATOM 756 SD MET A 50 24.569 -11.422 -14.282 1.00 0.00 S ATOM 757 CE MET A 50 23.718 -12.592 -13.226 1.00 0.00 C ATOM 0 H MET A 50 29.186 -12.022 -12.630 1.00 0.00 H new ATOM 0 HA MET A 50 27.556 -9.791 -13.238 1.00 0.00 H new ATOM 0 HB2 MET A 50 27.202 -12.581 -12.202 1.00 0.00 H new ATOM 0 HB3 MET A 50 25.873 -11.464 -11.961 1.00 0.00 H new ATOM 0 HG2 MET A 50 26.927 -11.349 -14.695 1.00 0.00 H new ATOM 0 HG3 MET A 50 26.403 -12.963 -14.258 1.00 0.00 H new ATOM 0 HE1 MET A 50 23.000 -13.160 -13.817 1.00 0.00 H new ATOM 0 HE2 MET A 50 24.442 -13.274 -12.781 1.00 0.00 H new ATOM 0 HE3 MET A 50 23.193 -12.054 -12.436 1.00 0.00 H new ATOM 767 N TRP A 51 28.065 -10.435 -10.043 1.00 0.00 N ATOM 768 CA TRP A 51 27.949 -9.874 -8.702 1.00 0.00 C ATOM 769 C TRP A 51 28.516 -8.460 -8.652 1.00 0.00 C ATOM 770 O TRP A 51 27.864 -7.537 -8.165 1.00 0.00 O ATOM 771 CB TRP A 51 28.674 -10.764 -7.691 1.00 0.00 C ATOM 772 CG TRP A 51 28.766 -10.157 -6.324 1.00 0.00 C ATOM 773 CD1 TRP A 51 29.889 -10.036 -5.555 1.00 0.00 C ATOM 774 CD2 TRP A 51 27.694 -9.589 -5.564 1.00 0.00 C ATOM 775 NE1 TRP A 51 29.578 -9.427 -4.363 1.00 0.00 N ATOM 776 CE2 TRP A 51 28.239 -9.142 -4.344 1.00 0.00 C ATOM 777 CE3 TRP A 51 26.327 -9.412 -5.796 1.00 0.00 C ATOM 778 CZ2 TRP A 51 27.463 -8.533 -3.361 1.00 0.00 C ATOM 779 CZ3 TRP A 51 25.559 -8.808 -4.820 1.00 0.00 C ATOM 780 CH2 TRP A 51 26.128 -8.373 -3.615 1.00 0.00 C ATOM 0 H TRP A 51 28.570 -11.320 -10.088 1.00 0.00 H new ATOM 0 HA TRP A 51 26.891 -9.830 -8.444 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.155 -11.720 -7.622 1.00 0.00 H new ATOM 0 HB3 TRP A 51 29.679 -10.972 -8.057 1.00 0.00 H new ATOM 0 HD1 TRP A 51 30.875 -10.370 -5.842 1.00 0.00 H new ATOM 0 HE1 TRP A 51 30.238 -9.221 -3.613 1.00 0.00 H new ATOM 0 HE3 TRP A 51 25.879 -9.742 -6.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 27.899 -8.199 -2.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 24.501 -8.668 -4.988 1.00 0.00 H new ATOM 0 HH2 TRP A 51 25.500 -7.902 -2.873 1.00 0.00 H new ATOM 791 N GLY A 52 29.734 -8.297 -9.158 1.00 0.00 N ATOM 792 CA GLY A 52 30.368 -6.992 -9.161 1.00 0.00 C ATOM 793 C GLY A 52 29.470 -5.912 -9.732 1.00 0.00 C ATOM 794 O GLY A 52 29.343 -4.833 -9.155 1.00 0.00 O ATOM 0 H GLY A 52 30.293 -9.046 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 52 30.649 -6.726 -8.142 1.00 0.00 H new ATOM 0 HA3 GLY A 52 31.288 -7.040 -9.743 1.00 0.00 H new ATOM 798 N GLN A 53 28.846 -6.204 -10.869 1.00 0.00 N ATOM 799 CA GLN A 53 27.958 -5.248 -11.519 1.00 0.00 C ATOM 800 C GLN A 53 26.910 -4.727 -10.541 1.00 0.00 C ATOM 801 O GLN A 53 26.456 -3.587 -10.651 1.00 0.00 O ATOM 802 CB GLN A 53 27.271 -5.895 -12.723 1.00 0.00 C ATOM 803 CG GLN A 53 28.216 -6.192 -13.876 1.00 0.00 C ATOM 804 CD GLN A 53 28.321 -5.040 -14.856 1.00 0.00 C ATOM 805 OE1 GLN A 53 27.352 -4.695 -15.532 1.00 0.00 O ATOM 806 NE2 GLN A 53 29.501 -4.437 -14.937 1.00 0.00 N ATOM 0 H GLN A 53 28.939 -7.094 -11.358 1.00 0.00 H new ATOM 0 HA GLN A 53 28.560 -4.406 -11.862 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.797 -6.823 -12.405 1.00 0.00 H new ATOM 0 HB3 GLN A 53 26.477 -5.236 -13.075 1.00 0.00 H new ATOM 0 HG2 GLN A 53 29.206 -6.419 -13.480 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.872 -7.082 -14.403 1.00 0.00 H new ATOM 0 HE21 GLN A 53 30.278 -4.756 -14.358 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.631 -3.655 -15.579 1.00 0.00 H new ATOM 815 N ARG A 54 26.530 -5.567 -9.584 1.00 0.00 N ATOM 816 CA ARG A 54 25.535 -5.191 -8.588 1.00 0.00 C ATOM 817 C ARG A 54 26.114 -4.192 -7.591 1.00 0.00 C ATOM 818 O ARG A 54 25.440 -3.249 -7.177 1.00 0.00 O ATOM 819 CB ARG A 54 25.029 -6.431 -7.848 1.00 0.00 C ATOM 820 CG ARG A 54 24.871 -7.651 -8.741 1.00 0.00 C ATOM 821 CD ARG A 54 24.008 -7.344 -9.955 1.00 0.00 C ATOM 822 NE ARG A 54 22.587 -7.299 -9.619 1.00 0.00 N ATOM 823 CZ ARG A 54 21.618 -7.295 -10.527 1.00 0.00 C ATOM 824 NH1 ARG A 54 21.914 -7.334 -11.819 1.00 0.00 N ATOM 825 NH2 ARG A 54 20.348 -7.252 -10.143 1.00 0.00 N ATOM 0 H ARG A 54 26.897 -6.513 -9.478 1.00 0.00 H new ATOM 0 HA ARG A 54 24.700 -4.719 -9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 54 25.721 -6.670 -7.041 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.068 -6.202 -7.387 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.853 -7.993 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 54 24.423 -8.465 -8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 54 24.310 -6.388 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 54 24.176 -8.102 -10.720 1.00 0.00 H new ATOM 0 HE ARG A 54 22.325 -7.269 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.889 -7.367 -12.118 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.167 -7.331 -12.514 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.116 -7.222 -9.150 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.604 -7.249 -10.841 1.00 0.00 H new ATOM 839 N LYS A 55 27.369 -4.406 -7.207 1.00 0.00 N ATOM 840 CA LYS A 55 28.041 -3.525 -6.260 1.00 0.00 C ATOM 841 C LYS A 55 28.874 -2.476 -6.989 1.00 0.00 C ATOM 842 O LYS A 55 29.675 -1.769 -6.377 1.00 0.00 O ATOM 843 CB LYS A 55 28.934 -4.339 -5.321 1.00 0.00 C ATOM 844 CG LYS A 55 28.168 -5.324 -4.454 1.00 0.00 C ATOM 845 CD LYS A 55 28.324 -5.006 -2.977 1.00 0.00 C ATOM 846 CE LYS A 55 27.180 -4.142 -2.469 1.00 0.00 C ATOM 847 NZ LYS A 55 27.659 -2.823 -1.971 1.00 0.00 N ATOM 0 H LYS A 55 27.941 -5.183 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 55 27.278 -3.013 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 55 29.668 -4.884 -5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 55 29.488 -3.656 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 55 27.112 -5.301 -4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 55 28.525 -6.335 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 55 28.362 -5.934 -2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 55 29.271 -4.491 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 55 26.458 -3.987 -3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.658 -4.665 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 26.849 -2.264 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 28.328 -2.970 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 28.135 -2.313 -2.742 1.00 0.00 H new ATOM 861 N LYS A 56 28.678 -2.378 -8.299 1.00 0.00 N ATOM 862 CA LYS A 56 29.409 -1.414 -9.112 1.00 0.00 C ATOM 863 C LYS A 56 30.915 -1.604 -8.961 1.00 0.00 C ATOM 864 O LYS A 56 31.682 -0.645 -9.033 1.00 0.00 O ATOM 865 CB LYS A 56 29.023 0.014 -8.718 1.00 0.00 C ATOM 866 CG LYS A 56 27.965 0.629 -9.618 1.00 0.00 C ATOM 867 CD LYS A 56 26.613 0.689 -8.928 1.00 0.00 C ATOM 868 CE LYS A 56 26.408 2.018 -8.217 1.00 0.00 C ATOM 869 NZ LYS A 56 26.423 1.864 -6.736 1.00 0.00 N ATOM 0 H LYS A 56 28.018 -2.955 -8.821 1.00 0.00 H new ATOM 0 HA LYS A 56 29.142 -1.582 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.658 0.012 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.914 0.641 -8.738 1.00 0.00 H new ATOM 0 HG2 LYS A 56 28.272 1.634 -9.907 1.00 0.00 H new ATOM 0 HG3 LYS A 56 27.881 0.045 -10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 56 25.822 0.543 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 56 26.534 -0.126 -8.208 1.00 0.00 H new ATOM 0 HE2 LYS A 56 27.191 2.715 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 56 25.458 2.453 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 26.280 2.792 -6.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 25.660 1.219 -6.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 27.339 1.473 -6.437 1.00 0.00 H new ATOM 883 N ASN A 57 31.331 -2.849 -8.752 1.00 0.00 N ATOM 884 CA ASN A 57 32.746 -3.165 -8.592 1.00 0.00 C ATOM 885 C ASN A 57 33.327 -3.731 -9.883 1.00 0.00 C ATOM 886 O ASN A 57 33.323 -4.944 -10.099 1.00 0.00 O ATOM 887 CB ASN A 57 32.940 -4.165 -7.450 1.00 0.00 C ATOM 888 CG ASN A 57 34.371 -4.659 -7.351 1.00 0.00 C ATOM 889 OD1 ASN A 57 35.180 -4.436 -8.252 1.00 0.00 O ATOM 890 ND2 ASN A 57 34.688 -5.335 -6.253 1.00 0.00 N ATOM 0 H ASN A 57 30.709 -3.655 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 57 33.274 -2.242 -8.352 1.00 0.00 H new ATOM 0 HB2 ASN A 57 32.654 -3.697 -6.508 1.00 0.00 H new ATOM 0 HB3 ASN A 57 32.274 -5.015 -7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 57 35.635 -5.693 -6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 57 33.984 -5.496 -5.532 1.00 0.00 H new ATOM 897 N ASP A 58 33.826 -2.846 -10.739 1.00 0.00 N ATOM 898 CA ASP A 58 34.412 -3.258 -12.010 1.00 0.00 C ATOM 899 C ASP A 58 35.580 -4.213 -11.785 1.00 0.00 C ATOM 900 O ASP A 58 36.032 -4.886 -12.712 1.00 0.00 O ATOM 901 CB ASP A 58 34.882 -2.034 -12.798 1.00 0.00 C ATOM 902 CG ASP A 58 33.760 -1.051 -13.065 1.00 0.00 C ATOM 903 OD1 ASP A 58 33.064 -0.669 -12.101 1.00 0.00 O ATOM 904 OD2 ASP A 58 33.578 -0.663 -14.238 1.00 0.00 O ATOM 0 H ASP A 58 33.837 -1.839 -10.576 1.00 0.00 H new ATOM 0 HA ASP A 58 33.646 -3.779 -12.585 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.676 -1.533 -12.245 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.310 -2.359 -13.746 1.00 0.00 H new ATOM 909 N ARG A 59 36.065 -4.267 -10.549 1.00 0.00 N ATOM 910 CA ARG A 59 37.181 -5.138 -10.203 1.00 0.00 C ATOM 911 C ARG A 59 36.713 -6.306 -9.339 1.00 0.00 C ATOM 912 O ARG A 59 37.420 -6.741 -8.431 1.00 0.00 O ATOM 913 CB ARG A 59 38.264 -4.347 -9.467 1.00 0.00 C ATOM 914 CG ARG A 59 39.125 -3.494 -10.384 1.00 0.00 C ATOM 915 CD ARG A 59 40.576 -3.479 -9.932 1.00 0.00 C ATOM 916 NE ARG A 59 41.478 -3.972 -10.970 1.00 0.00 N ATOM 917 CZ ARG A 59 42.802 -3.954 -10.862 1.00 0.00 C ATOM 918 NH1 ARG A 59 43.375 -3.472 -9.768 1.00 0.00 N ATOM 919 NH2 ARG A 59 43.555 -4.421 -11.850 1.00 0.00 N ATOM 0 H ARG A 59 35.702 -3.717 -9.770 1.00 0.00 H new ATOM 0 HA ARG A 59 37.597 -5.537 -11.128 1.00 0.00 H new ATOM 0 HB2 ARG A 59 37.791 -3.704 -8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 59 38.904 -5.042 -8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 59 39.064 -3.878 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 59 38.738 -2.475 -10.404 1.00 0.00 H new ATOM 0 HD2 ARG A 59 40.860 -2.463 -9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 59 40.683 -4.092 -9.037 1.00 0.00 H new ATOM 0 HE ARG A 59 41.069 -4.351 -11.824 1.00 0.00 H new ATOM 0 HH11 ARG A 59 42.799 -3.114 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 59 44.392 -3.460 -9.688 1.00 0.00 H new ATOM 0 HH21 ARG A 59 43.117 -4.794 -12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 59 44.572 -4.407 -11.767 1.00 0.00 H new ATOM 933 N MET A 60 35.517 -6.807 -9.629 1.00 0.00 N ATOM 934 CA MET A 60 34.954 -7.924 -8.879 1.00 0.00 C ATOM 935 C MET A 60 35.450 -9.255 -9.434 1.00 0.00 C ATOM 936 O MET A 60 35.492 -9.458 -10.648 1.00 0.00 O ATOM 937 CB MET A 60 33.426 -7.877 -8.923 1.00 0.00 C ATOM 938 CG MET A 60 32.762 -9.055 -8.228 1.00 0.00 C ATOM 939 SD MET A 60 33.300 -9.245 -6.517 1.00 0.00 S ATOM 940 CE MET A 60 32.287 -8.012 -5.704 1.00 0.00 C ATOM 0 H MET A 60 34.919 -6.457 -10.378 1.00 0.00 H new ATOM 0 HA MET A 60 35.283 -7.837 -7.843 1.00 0.00 H new ATOM 0 HB2 MET A 60 33.085 -6.952 -8.458 1.00 0.00 H new ATOM 0 HB3 MET A 60 33.101 -7.849 -9.963 1.00 0.00 H new ATOM 0 HG2 MET A 60 31.680 -8.924 -8.252 1.00 0.00 H new ATOM 0 HG3 MET A 60 32.984 -9.969 -8.778 1.00 0.00 H new ATOM 0 HE1 MET A 60 32.023 -8.359 -4.705 1.00 0.00 H new ATOM 0 HE2 MET A 60 32.842 -7.077 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 60 31.378 -7.848 -6.283 1.00 0.00 H new ATOM 950 N THR A 61 35.827 -10.162 -8.537 1.00 0.00 N ATOM 951 CA THR A 61 36.321 -11.473 -8.937 1.00 0.00 C ATOM 952 C THR A 61 36.106 -12.502 -7.833 1.00 0.00 C ATOM 953 O THR A 61 36.103 -12.165 -6.649 1.00 0.00 O ATOM 954 CB THR A 61 37.820 -11.424 -9.292 1.00 0.00 C ATOM 955 OG1 THR A 61 38.234 -12.680 -9.840 1.00 0.00 O ATOM 956 CG2 THR A 61 38.656 -11.100 -8.064 1.00 0.00 C ATOM 0 H THR A 61 35.799 -10.012 -7.529 1.00 0.00 H new ATOM 0 HA THR A 61 35.755 -11.768 -9.820 1.00 0.00 H new ATOM 0 HB THR A 61 37.971 -10.638 -10.032 1.00 0.00 H new ATOM 0 HG1 THR A 61 39.187 -12.641 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 61 39.710 -11.071 -8.339 1.00 0.00 H new ATOM 0 HG22 THR A 61 38.358 -10.130 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 61 38.500 -11.867 -7.305 1.00 0.00 H new ATOM 964 N TYR A 62 35.926 -13.757 -8.228 1.00 0.00 N ATOM 965 CA TYR A 62 35.708 -14.836 -7.271 1.00 0.00 C ATOM 966 C TYR A 62 36.627 -14.686 -6.062 1.00 0.00 C ATOM 967 O TYR A 62 36.191 -14.812 -4.919 1.00 0.00 O ATOM 968 CB TYR A 62 35.942 -16.193 -7.938 1.00 0.00 C ATOM 969 CG TYR A 62 35.233 -17.336 -7.249 1.00 0.00 C ATOM 970 CD1 TYR A 62 33.895 -17.235 -6.890 1.00 0.00 C ATOM 971 CD2 TYR A 62 35.902 -18.519 -6.957 1.00 0.00 C ATOM 972 CE1 TYR A 62 33.244 -18.278 -6.259 1.00 0.00 C ATOM 973 CE2 TYR A 62 35.259 -19.567 -6.328 1.00 0.00 C ATOM 974 CZ TYR A 62 33.930 -19.441 -5.980 1.00 0.00 C ATOM 975 OH TYR A 62 33.284 -20.483 -5.354 1.00 0.00 O ATOM 0 H TYR A 62 35.927 -14.053 -9.204 1.00 0.00 H new ATOM 0 HA TYR A 62 34.675 -14.780 -6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 62 35.608 -16.141 -8.974 1.00 0.00 H new ATOM 0 HB3 TYR A 62 37.012 -16.399 -7.958 1.00 0.00 H new ATOM 0 HD1 TYR A 62 33.354 -16.326 -7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 62 36.943 -18.620 -7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 62 32.203 -18.183 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 62 35.793 -20.480 -6.110 1.00 0.00 H new ATOM 0 HH TYR A 62 33.515 -20.486 -4.402 1.00 0.00 H new ATOM 985 N GLU A 63 37.902 -14.415 -6.326 1.00 0.00 N ATOM 986 CA GLU A 63 38.883 -14.248 -5.260 1.00 0.00 C ATOM 987 C GLU A 63 38.354 -13.312 -4.177 1.00 0.00 C ATOM 988 O GLU A 63 38.560 -13.544 -2.985 1.00 0.00 O ATOM 989 CB GLU A 63 40.195 -13.701 -5.826 1.00 0.00 C ATOM 990 CG GLU A 63 41.430 -14.406 -5.289 1.00 0.00 C ATOM 991 CD GLU A 63 42.712 -13.896 -5.917 1.00 0.00 C ATOM 992 OE1 GLU A 63 42.739 -13.721 -7.153 1.00 0.00 O ATOM 993 OE2 GLU A 63 43.689 -13.673 -5.172 1.00 0.00 O ATOM 0 H GLU A 63 38.279 -14.307 -7.268 1.00 0.00 H new ATOM 0 HA GLU A 63 39.068 -15.225 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 63 40.178 -13.792 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 63 40.265 -12.638 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 63 41.480 -14.271 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 63 41.341 -15.477 -5.472 1.00 0.00 H new ATOM 1000 N LYS A 64 37.673 -12.252 -4.599 1.00 0.00 N ATOM 1001 CA LYS A 64 37.114 -11.280 -3.667 1.00 0.00 C ATOM 1002 C LYS A 64 35.721 -11.702 -3.212 1.00 0.00 C ATOM 1003 O LYS A 64 35.417 -11.691 -2.018 1.00 0.00 O ATOM 1004 CB LYS A 64 37.052 -9.896 -4.318 1.00 0.00 C ATOM 1005 CG LYS A 64 38.400 -9.393 -4.806 1.00 0.00 C ATOM 1006 CD LYS A 64 38.325 -7.942 -5.249 1.00 0.00 C ATOM 1007 CE LYS A 64 39.466 -7.587 -6.191 1.00 0.00 C ATOM 1008 NZ LYS A 64 39.658 -6.115 -6.300 1.00 0.00 N ATOM 0 H LYS A 64 37.495 -12.044 -5.582 1.00 0.00 H new ATOM 0 HA LYS A 64 37.765 -11.235 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 64 36.360 -9.930 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 64 36.646 -9.184 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 64 39.137 -9.494 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 64 38.741 -10.011 -5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 64 37.372 -7.761 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.358 -7.291 -4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 64 40.387 -8.048 -5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 64 39.263 -8.001 -7.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 40.574 -5.917 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 38.894 -5.707 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 39.640 -5.691 -5.350 1.00 0.00 H new ATOM 1022 N LEU A 65 34.878 -12.076 -4.169 1.00 0.00 N ATOM 1023 CA LEU A 65 33.517 -12.503 -3.866 1.00 0.00 C ATOM 1024 C LEU A 65 33.509 -13.544 -2.751 1.00 0.00 C ATOM 1025 O LEU A 65 32.644 -13.524 -1.875 1.00 0.00 O ATOM 1026 CB LEU A 65 32.850 -13.075 -5.118 1.00 0.00 C ATOM 1027 CG LEU A 65 31.512 -13.782 -4.902 1.00 0.00 C ATOM 1028 CD1 LEU A 65 30.572 -13.512 -6.067 1.00 0.00 C ATOM 1029 CD2 LEU A 65 31.722 -15.278 -4.720 1.00 0.00 C ATOM 0 H LEU A 65 35.114 -12.092 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 65 32.956 -11.632 -3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 65 32.698 -12.262 -5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 65 33.540 -13.780 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 65 31.056 -13.386 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.625 -14.023 -5.896 1.00 0.00 H new ATOM 0 HD12 LEU A 65 30.396 -12.440 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 65 31.021 -13.879 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.759 -15.765 -4.567 1.00 0.00 H new ATOM 0 HD22 LEU A 65 32.200 -15.689 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU A 65 32.358 -15.453 -3.853 1.00 0.00 H new ATOM 1041 N SER A 66 34.479 -14.453 -2.789 1.00 0.00 N ATOM 1042 CA SER A 66 34.583 -15.503 -1.783 1.00 0.00 C ATOM 1043 C SER A 66 34.693 -14.906 -0.383 1.00 0.00 C ATOM 1044 O SER A 66 34.236 -15.499 0.594 1.00 0.00 O ATOM 1045 CB SER A 66 35.795 -16.392 -2.067 1.00 0.00 C ATOM 1046 OG SER A 66 35.842 -16.769 -3.432 1.00 0.00 O ATOM 0 H SER A 66 35.204 -14.483 -3.506 1.00 0.00 H new ATOM 0 HA SER A 66 33.678 -16.108 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 66 36.709 -15.861 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 66 35.751 -17.284 -1.442 1.00 0.00 H new ATOM 0 HG SER A 66 36.354 -16.103 -3.938 1.00 0.00 H new ATOM 1052 N ARG A 67 35.302 -13.728 -0.296 1.00 0.00 N ATOM 1053 CA ARG A 67 35.474 -13.050 0.983 1.00 0.00 C ATOM 1054 C ARG A 67 34.182 -13.083 1.794 1.00 0.00 C ATOM 1055 O ARG A 67 34.205 -13.276 3.009 1.00 0.00 O ATOM 1056 CB ARG A 67 35.913 -11.601 0.762 1.00 0.00 C ATOM 1057 CG ARG A 67 34.754 -10.634 0.585 1.00 0.00 C ATOM 1058 CD ARG A 67 35.233 -9.191 0.556 1.00 0.00 C ATOM 1059 NE ARG A 67 35.318 -8.615 1.896 1.00 0.00 N ATOM 1060 CZ ARG A 67 35.456 -7.315 2.129 1.00 0.00 C ATOM 1061 NH1 ARG A 67 35.524 -6.460 1.118 1.00 0.00 N ATOM 1062 NH2 ARG A 67 35.526 -6.867 3.377 1.00 0.00 N ATOM 0 H ARG A 67 35.684 -13.224 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 67 36.248 -13.575 1.543 1.00 0.00 H new ATOM 0 HB2 ARG A 67 36.517 -11.280 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 67 36.552 -11.554 -0.120 1.00 0.00 H new ATOM 0 HG2 ARG A 67 34.226 -10.862 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 67 34.041 -10.766 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 67 36.212 -9.144 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 67 34.552 -8.595 -0.052 1.00 0.00 H new ATOM 0 HE ARG A 67 35.269 -9.246 2.696 1.00 0.00 H new ATOM 0 HH11 ARG A 67 35.470 -6.800 0.158 1.00 0.00 H new ATOM 0 HH12 ARG A 67 35.630 -5.462 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 67 35.474 -7.522 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 67 35.632 -5.868 3.555 1.00 0.00 H new ATOM 1076 N ALA A 68 33.057 -12.892 1.113 1.00 0.00 N ATOM 1077 CA ALA A 68 31.756 -12.901 1.769 1.00 0.00 C ATOM 1078 C ALA A 68 31.293 -14.327 2.050 1.00 0.00 C ATOM 1079 O ALA A 68 30.614 -14.585 3.045 1.00 0.00 O ATOM 1080 CB ALA A 68 30.729 -12.169 0.916 1.00 0.00 C ATOM 0 H ALA A 68 33.021 -12.729 0.107 1.00 0.00 H new ATOM 0 HA ALA A 68 31.854 -12.384 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 68 29.762 -12.184 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 68 31.047 -11.137 0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 68 30.642 -12.662 -0.052 1.00 0.00 H new ATOM 1086 N LEU A 69 31.663 -15.249 1.169 1.00 0.00 N ATOM 1087 CA LEU A 69 31.284 -16.649 1.322 1.00 0.00 C ATOM 1088 C LEU A 69 31.945 -17.260 2.553 1.00 0.00 C ATOM 1089 O LEU A 69 31.323 -18.026 3.288 1.00 0.00 O ATOM 1090 CB LEU A 69 31.674 -17.442 0.073 1.00 0.00 C ATOM 1091 CG LEU A 69 31.143 -16.905 -1.256 1.00 0.00 C ATOM 1092 CD1 LEU A 69 31.583 -17.797 -2.407 1.00 0.00 C ATOM 1093 CD2 LEU A 69 29.626 -16.790 -1.218 1.00 0.00 C ATOM 0 H LEU A 69 32.225 -15.053 0.341 1.00 0.00 H new ATOM 0 HA LEU A 69 30.203 -16.696 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.762 -17.482 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.324 -18.467 0.194 1.00 0.00 H new ATOM 0 HG LEU A 69 31.559 -15.910 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.195 -17.399 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.672 -17.827 -2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.197 -18.805 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 69 29.266 -16.406 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.191 -17.773 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.333 -16.109 -0.419 1.00 0.00 H new ATOM 1105 N ARG A 70 33.210 -16.914 2.773 1.00 0.00 N ATOM 1106 CA ARG A 70 33.955 -17.428 3.916 1.00 0.00 C ATOM 1107 C ARG A 70 33.651 -16.617 5.172 1.00 0.00 C ATOM 1108 O ARG A 70 33.904 -17.066 6.290 1.00 0.00 O ATOM 1109 CB ARG A 70 35.457 -17.399 3.627 1.00 0.00 C ATOM 1110 CG ARG A 70 35.857 -18.196 2.397 1.00 0.00 C ATOM 1111 CD ARG A 70 36.413 -19.560 2.774 1.00 0.00 C ATOM 1112 NE ARG A 70 37.783 -19.743 2.302 1.00 0.00 N ATOM 1113 CZ ARG A 70 38.847 -19.253 2.927 1.00 0.00 C ATOM 1114 NH1 ARG A 70 38.700 -18.555 4.045 1.00 0.00 N ATOM 1115 NH2 ARG A 70 40.062 -19.461 2.435 1.00 0.00 N ATOM 0 H ARG A 70 33.740 -16.280 2.175 1.00 0.00 H new ATOM 0 HA ARG A 70 33.645 -18.459 4.087 1.00 0.00 H new ATOM 0 HB2 ARG A 70 35.773 -16.364 3.497 1.00 0.00 H new ATOM 0 HB3 ARG A 70 35.992 -17.790 4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 70 34.992 -18.322 1.746 1.00 0.00 H new ATOM 0 HG3 ARG A 70 36.604 -17.641 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 70 36.384 -19.676 3.857 1.00 0.00 H new ATOM 0 HD3 ARG A 70 35.778 -20.339 2.353 1.00 0.00 H new ATOM 0 HE ARG A 70 37.930 -20.276 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 70 37.768 -18.394 4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 70 39.519 -18.180 4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 70 40.179 -19.998 1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 70 40.879 -19.084 2.916 1.00 0.00 H new ATOM 1129 N TYR A 71 33.108 -15.420 4.980 1.00 0.00 N ATOM 1130 CA TYR A 71 32.773 -14.544 6.096 1.00 0.00 C ATOM 1131 C TYR A 71 31.369 -14.839 6.617 1.00 0.00 C ATOM 1132 O TYR A 71 31.014 -14.451 7.730 1.00 0.00 O ATOM 1133 CB TYR A 71 32.874 -13.079 5.671 1.00 0.00 C ATOM 1134 CG TYR A 71 32.476 -12.104 6.756 1.00 0.00 C ATOM 1135 CD1 TYR A 71 31.138 -11.866 7.048 1.00 0.00 C ATOM 1136 CD2 TYR A 71 33.438 -11.422 7.491 1.00 0.00 C ATOM 1137 CE1 TYR A 71 30.771 -10.976 8.038 1.00 0.00 C ATOM 1138 CE2 TYR A 71 33.079 -10.531 8.485 1.00 0.00 C ATOM 1139 CZ TYR A 71 31.744 -10.311 8.754 1.00 0.00 C ATOM 1140 OH TYR A 71 31.382 -9.425 9.742 1.00 0.00 O ATOM 0 H TYR A 71 32.890 -15.034 4.061 1.00 0.00 H new ATOM 0 HA TYR A 71 33.486 -14.732 6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 71 33.898 -12.869 5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 71 32.240 -12.918 4.799 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.372 -12.386 6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 71 34.484 -11.591 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 71 29.727 -10.802 8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 71 33.839 -10.010 9.048 1.00 0.00 H new ATOM 0 HH TYR A 71 32.187 -9.043 10.150 1.00 0.00 H new ATOM 1150 N TYR A 72 30.577 -15.528 5.804 1.00 0.00 N ATOM 1151 CA TYR A 72 29.211 -15.874 6.180 1.00 0.00 C ATOM 1152 C TYR A 72 29.195 -17.054 7.147 1.00 0.00 C ATOM 1153 O TYR A 72 28.197 -17.303 7.824 1.00 0.00 O ATOM 1154 CB TYR A 72 28.386 -16.208 4.936 1.00 0.00 C ATOM 1155 CG TYR A 72 27.799 -14.992 4.255 1.00 0.00 C ATOM 1156 CD1 TYR A 72 27.122 -14.022 4.984 1.00 0.00 C ATOM 1157 CD2 TYR A 72 27.920 -14.814 2.882 1.00 0.00 C ATOM 1158 CE1 TYR A 72 26.583 -12.910 4.366 1.00 0.00 C ATOM 1159 CE2 TYR A 72 27.386 -13.705 2.256 1.00 0.00 C ATOM 1160 CZ TYR A 72 26.718 -12.756 3.002 1.00 0.00 C ATOM 1161 OH TYR A 72 26.183 -11.650 2.382 1.00 0.00 O ATOM 0 H TYR A 72 30.857 -15.858 4.880 1.00 0.00 H new ATOM 0 HA TYR A 72 28.769 -15.012 6.680 1.00 0.00 H new ATOM 0 HB2 TYR A 72 29.016 -16.743 4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 72 27.577 -16.883 5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 72 27.015 -14.139 6.052 1.00 0.00 H new ATOM 0 HD2 TYR A 72 28.441 -15.556 2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 72 26.059 -12.166 4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 72 27.491 -13.581 1.188 1.00 0.00 H new ATOM 0 HH TYR A 72 26.561 -11.565 1.482 1.00 0.00 H new ATOM 1171 N TYR A 73 30.307 -17.778 7.205 1.00 0.00 N ATOM 1172 CA TYR A 73 30.422 -18.934 8.087 1.00 0.00 C ATOM 1173 C TYR A 73 30.453 -18.502 9.550 1.00 0.00 C ATOM 1174 O TYR A 73 30.489 -19.335 10.455 1.00 0.00 O ATOM 1175 CB TYR A 73 31.682 -19.734 7.752 1.00 0.00 C ATOM 1176 CG TYR A 73 31.690 -20.289 6.346 1.00 0.00 C ATOM 1177 CD1 TYR A 73 30.570 -20.923 5.821 1.00 0.00 C ATOM 1178 CD2 TYR A 73 32.818 -20.182 5.542 1.00 0.00 C ATOM 1179 CE1 TYR A 73 30.574 -21.433 4.537 1.00 0.00 C ATOM 1180 CE2 TYR A 73 32.831 -20.687 4.257 1.00 0.00 C ATOM 1181 CZ TYR A 73 31.706 -21.312 3.759 1.00 0.00 C ATOM 1182 OH TYR A 73 31.715 -21.818 2.479 1.00 0.00 O ATOM 0 H TYR A 73 31.142 -17.585 6.652 1.00 0.00 H new ATOM 0 HA TYR A 73 29.547 -19.566 7.932 1.00 0.00 H new ATOM 0 HB2 TYR A 73 32.555 -19.095 7.886 1.00 0.00 H new ATOM 0 HB3 TYR A 73 31.778 -20.558 8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 73 29.681 -21.019 6.427 1.00 0.00 H new ATOM 0 HD2 TYR A 73 33.701 -19.695 5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 73 29.695 -21.924 4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 73 33.716 -20.593 3.645 1.00 0.00 H new ATOM 0 HH TYR A 73 31.893 -21.095 1.842 1.00 0.00 H new ATOM 1192 N LYS A 74 30.440 -17.192 9.773 1.00 0.00 N ATOM 1193 CA LYS A 74 30.465 -16.646 11.125 1.00 0.00 C ATOM 1194 C LYS A 74 29.062 -16.258 11.582 1.00 0.00 C ATOM 1195 O LYS A 74 28.715 -16.411 12.753 1.00 0.00 O ATOM 1196 CB LYS A 74 31.388 -15.427 11.187 1.00 0.00 C ATOM 1197 CG LYS A 74 32.619 -15.550 10.306 1.00 0.00 C ATOM 1198 CD LYS A 74 33.809 -14.819 10.904 1.00 0.00 C ATOM 1199 CE LYS A 74 35.124 -15.362 10.366 1.00 0.00 C ATOM 1200 NZ LYS A 74 35.367 -16.764 10.805 1.00 0.00 N ATOM 0 H LYS A 74 30.412 -16.489 9.035 1.00 0.00 H new ATOM 0 HA LYS A 74 30.845 -17.417 11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 74 30.826 -14.541 10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 74 31.704 -15.273 12.219 1.00 0.00 H new ATOM 0 HG2 LYS A 74 32.868 -16.603 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 74 32.402 -15.145 9.317 1.00 0.00 H new ATOM 0 HD2 LYS A 74 33.734 -13.755 10.679 1.00 0.00 H new ATOM 0 HD3 LYS A 74 33.790 -14.918 11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 74 35.116 -15.319 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 74 35.944 -14.728 10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 36.389 -16.957 10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 34.994 -16.896 11.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 34.888 -17.419 10.155 1.00 0.00 H new ATOM 1214 N THR A 75 28.258 -15.758 10.649 1.00 0.00 N ATOM 1215 CA THR A 75 26.893 -15.349 10.955 1.00 0.00 C ATOM 1216 C THR A 75 25.910 -16.488 10.710 1.00 0.00 C ATOM 1217 O THR A 75 24.734 -16.390 11.055 1.00 0.00 O ATOM 1218 CB THR A 75 26.470 -14.130 10.114 1.00 0.00 C ATOM 1219 OG1 THR A 75 26.327 -14.508 8.741 1.00 0.00 O ATOM 1220 CG2 THR A 75 27.491 -13.009 10.234 1.00 0.00 C ATOM 0 H THR A 75 28.529 -15.627 9.674 1.00 0.00 H new ATOM 0 HA THR A 75 26.873 -15.077 12.010 1.00 0.00 H new ATOM 0 HB THR A 75 25.513 -13.770 10.492 1.00 0.00 H new ATOM 0 HG1 THR A 75 26.532 -13.740 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 75 27.171 -12.159 9.631 1.00 0.00 H new ATOM 0 HG22 THR A 75 27.575 -12.703 11.277 1.00 0.00 H new ATOM 0 HG23 THR A 75 28.460 -13.360 9.880 1.00 0.00 H new ATOM 1228 N GLY A 76 26.401 -17.569 10.111 1.00 0.00 N ATOM 1229 CA GLY A 76 25.551 -18.711 9.830 1.00 0.00 C ATOM 1230 C GLY A 76 24.934 -18.648 8.446 1.00 0.00 C ATOM 1231 O GLY A 76 24.481 -19.663 7.916 1.00 0.00 O ATOM 0 H GLY A 76 27.372 -17.674 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 76 26.135 -19.626 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 76 24.758 -18.762 10.576 1.00 0.00 H new ATOM 1235 N ILE A 77 24.916 -17.455 7.862 1.00 0.00 N ATOM 1236 CA ILE A 77 24.349 -17.265 6.533 1.00 0.00 C ATOM 1237 C ILE A 77 24.690 -18.435 5.617 1.00 0.00 C ATOM 1238 O ILE A 77 23.829 -18.951 4.903 1.00 0.00 O ATOM 1239 CB ILE A 77 24.851 -15.960 5.888 1.00 0.00 C ATOM 1240 CG1 ILE A 77 24.304 -14.748 6.645 1.00 0.00 C ATOM 1241 CG2 ILE A 77 24.446 -15.903 4.423 1.00 0.00 C ATOM 1242 CD1 ILE A 77 22.949 -14.290 6.154 1.00 0.00 C ATOM 0 H ILE A 77 25.287 -16.606 8.288 1.00 0.00 H new ATOM 0 HA ILE A 77 23.268 -17.207 6.657 1.00 0.00 H new ATOM 0 HB ILE A 77 25.939 -15.939 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 77 24.234 -14.993 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 77 25.012 -13.924 6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 77 24.808 -14.975 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 77 24.880 -16.751 3.892 1.00 0.00 H new ATOM 0 HG23 ILE A 77 23.360 -15.943 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 77 22.624 -13.428 6.736 1.00 0.00 H new ATOM 0 HD12 ILE A 77 23.018 -14.013 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 77 22.228 -15.099 6.270 1.00 0.00 H new ATOM 1254 N LEU A 78 25.952 -18.851 5.643 1.00 0.00 N ATOM 1255 CA LEU A 78 26.408 -19.963 4.817 1.00 0.00 C ATOM 1256 C LEU A 78 26.905 -21.117 5.682 1.00 0.00 C ATOM 1257 O LEU A 78 27.129 -20.954 6.881 1.00 0.00 O ATOM 1258 CB LEU A 78 27.521 -19.501 3.875 1.00 0.00 C ATOM 1259 CG LEU A 78 27.074 -19.008 2.498 1.00 0.00 C ATOM 1260 CD1 LEU A 78 28.221 -18.312 1.782 1.00 0.00 C ATOM 1261 CD2 LEU A 78 26.544 -20.164 1.663 1.00 0.00 C ATOM 0 H LEU A 78 26.677 -18.435 6.227 1.00 0.00 H new ATOM 0 HA LEU A 78 25.562 -20.315 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 78 28.074 -18.699 4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 78 28.217 -20.328 3.734 1.00 0.00 H new ATOM 0 HG LEU A 78 26.268 -18.287 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 78 27.884 -17.968 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 78 28.554 -17.458 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 78 29.048 -19.010 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 78 26.231 -19.794 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.329 -20.909 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 78 25.692 -20.618 2.169 1.00 0.00 H new ATOM 1273 N GLU A 79 27.077 -22.282 5.065 1.00 0.00 N ATOM 1274 CA GLU A 79 27.549 -23.462 5.779 1.00 0.00 C ATOM 1275 C GLU A 79 28.873 -23.955 5.201 1.00 0.00 C ATOM 1276 O GLU A 79 28.945 -24.352 4.038 1.00 0.00 O ATOM 1277 CB GLU A 79 26.504 -24.578 5.713 1.00 0.00 C ATOM 1278 CG GLU A 79 25.533 -24.573 6.881 1.00 0.00 C ATOM 1279 CD GLU A 79 25.673 -25.800 7.761 1.00 0.00 C ATOM 1280 OE1 GLU A 79 25.779 -26.916 7.211 1.00 0.00 O ATOM 1281 OE2 GLU A 79 25.675 -25.643 9.000 1.00 0.00 O ATOM 0 H GLU A 79 26.896 -22.433 4.073 1.00 0.00 H new ATOM 0 HA GLU A 79 27.708 -23.185 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 79 25.942 -24.483 4.784 1.00 0.00 H new ATOM 0 HB3 GLU A 79 27.014 -25.541 5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.698 -23.679 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 79 24.513 -24.518 6.501 1.00 0.00 H new ATOM 1288 N ARG A 80 29.918 -23.924 6.022 1.00 0.00 N ATOM 1289 CA ARG A 80 31.240 -24.365 5.593 1.00 0.00 C ATOM 1290 C ARG A 80 31.176 -25.766 4.990 1.00 0.00 C ATOM 1291 O ARG A 80 30.846 -26.734 5.676 1.00 0.00 O ATOM 1292 CB ARG A 80 32.214 -24.349 6.772 1.00 0.00 C ATOM 1293 CG ARG A 80 33.675 -24.408 6.356 1.00 0.00 C ATOM 1294 CD ARG A 80 34.495 -23.331 7.048 1.00 0.00 C ATOM 1295 NE ARG A 80 35.877 -23.750 7.266 1.00 0.00 N ATOM 1296 CZ ARG A 80 36.230 -24.700 8.125 1.00 0.00 C ATOM 1297 NH1 ARG A 80 35.307 -25.325 8.843 1.00 0.00 N ATOM 1298 NH2 ARG A 80 37.508 -25.025 8.267 1.00 0.00 N ATOM 0 H ARG A 80 29.875 -23.598 6.988 1.00 0.00 H new ATOM 0 HA ARG A 80 31.596 -23.675 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 80 32.048 -23.445 7.357 1.00 0.00 H new ATOM 0 HB3 ARG A 80 31.996 -25.195 7.424 1.00 0.00 H new ATOM 0 HG2 ARG A 80 34.084 -25.389 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 80 33.752 -24.287 5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 80 34.482 -22.423 6.445 1.00 0.00 H new ATOM 0 HD3 ARG A 80 34.036 -23.085 8.005 1.00 0.00 H new ATOM 0 HE ARG A 80 36.611 -23.288 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 80 34.323 -25.077 8.736 1.00 0.00 H new ATOM 0 HH12 ARG A 80 35.581 -26.054 9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 80 38.220 -24.545 7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 80 37.778 -25.754 8.927 1.00 0.00 H new ATOM 1312 N VAL A 81 31.494 -25.866 3.704 1.00 0.00 N ATOM 1313 CA VAL A 81 31.474 -27.148 3.009 1.00 0.00 C ATOM 1314 C VAL A 81 32.888 -27.656 2.753 1.00 0.00 C ATOM 1315 O VAL A 81 33.812 -26.871 2.538 1.00 0.00 O ATOM 1316 CB VAL A 81 30.726 -27.046 1.666 1.00 0.00 C ATOM 1317 CG1 VAL A 81 30.653 -28.408 0.991 1.00 0.00 C ATOM 1318 CG2 VAL A 81 29.334 -26.470 1.874 1.00 0.00 C ATOM 0 H VAL A 81 31.769 -25.075 3.122 1.00 0.00 H new ATOM 0 HA VAL A 81 30.950 -27.851 3.656 1.00 0.00 H new ATOM 0 HB VAL A 81 31.279 -26.372 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 81 30.121 -28.317 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 81 31.662 -28.777 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 81 30.123 -29.107 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 81 28.820 -26.405 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 81 28.769 -27.117 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 81 29.414 -25.475 2.311 1.00 0.00 H new ATOM 1328 N ASP A 82 33.050 -28.975 2.777 1.00 0.00 N ATOM 1329 CA ASP A 82 34.352 -29.590 2.547 1.00 0.00 C ATOM 1330 C ASP A 82 34.461 -30.111 1.117 1.00 0.00 C ATOM 1331 O ASP A 82 35.012 -31.185 0.878 1.00 0.00 O ATOM 1332 CB ASP A 82 34.583 -30.731 3.538 1.00 0.00 C ATOM 1333 CG ASP A 82 35.075 -30.237 4.885 1.00 0.00 C ATOM 1334 OD1 ASP A 82 34.334 -29.478 5.545 1.00 0.00 O ATOM 1335 OD2 ASP A 82 36.199 -30.611 5.279 1.00 0.00 O ATOM 0 H ASP A 82 32.296 -29.638 2.953 1.00 0.00 H new ATOM 0 HA ASP A 82 35.118 -28.829 2.697 1.00 0.00 H new ATOM 0 HB2 ASP A 82 33.654 -31.284 3.674 1.00 0.00 H new ATOM 0 HB3 ASP A 82 35.310 -31.428 3.122 1.00 0.00 H new ATOM 1340 N ARG A 83 33.930 -29.343 0.171 1.00 0.00 N ATOM 1341 CA ARG A 83 33.966 -29.729 -1.235 1.00 0.00 C ATOM 1342 C ARG A 83 34.512 -28.594 -2.096 1.00 0.00 C ATOM 1343 O ARG A 83 34.838 -27.520 -1.591 1.00 0.00 O ATOM 1344 CB ARG A 83 32.566 -30.119 -1.714 1.00 0.00 C ATOM 1345 CG ARG A 83 32.026 -31.378 -1.056 1.00 0.00 C ATOM 1346 CD ARG A 83 30.532 -31.534 -1.295 1.00 0.00 C ATOM 1347 NE ARG A 83 30.240 -32.583 -2.267 1.00 0.00 N ATOM 1348 CZ ARG A 83 30.437 -33.876 -2.035 1.00 0.00 C ATOM 1349 NH1 ARG A 83 30.924 -34.277 -0.868 1.00 0.00 N ATOM 1350 NH2 ARG A 83 30.147 -34.771 -2.970 1.00 0.00 N ATOM 0 H ARG A 83 33.470 -28.451 0.352 1.00 0.00 H new ATOM 0 HA ARG A 83 34.629 -30.588 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 83 31.881 -29.294 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 83 32.588 -30.265 -2.794 1.00 0.00 H new ATOM 0 HG2 ARG A 83 32.551 -32.249 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 83 32.223 -31.343 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 83 30.036 -31.765 -0.352 1.00 0.00 H new ATOM 0 HD3 ARG A 83 30.121 -30.588 -1.648 1.00 0.00 H new ATOM 0 HE ARG A 83 29.864 -32.308 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 83 31.148 -33.592 -0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 83 31.074 -35.270 -0.692 1.00 0.00 H new ATOM 0 HH21 ARG A 83 29.772 -34.467 -3.869 1.00 0.00 H new ATOM 0 HH22 ARG A 83 30.299 -35.764 -2.790 1.00 0.00 H new ATOM 1364 N ARG A 84 34.610 -28.841 -3.399 1.00 0.00 N ATOM 1365 CA ARG A 84 35.119 -27.841 -4.330 1.00 0.00 C ATOM 1366 C ARG A 84 33.972 -27.117 -5.029 1.00 0.00 C ATOM 1367 O ARG A 84 33.040 -27.746 -5.530 1.00 0.00 O ATOM 1368 CB ARG A 84 36.031 -28.497 -5.368 1.00 0.00 C ATOM 1369 CG ARG A 84 36.653 -27.510 -6.343 1.00 0.00 C ATOM 1370 CD ARG A 84 37.464 -28.222 -7.414 1.00 0.00 C ATOM 1371 NE ARG A 84 37.461 -27.490 -8.678 1.00 0.00 N ATOM 1372 CZ ARG A 84 38.035 -26.303 -8.841 1.00 0.00 C ATOM 1373 NH1 ARG A 84 38.654 -25.717 -7.826 1.00 0.00 N ATOM 1374 NH2 ARG A 84 37.991 -25.700 -10.023 1.00 0.00 N ATOM 0 H ARG A 84 34.344 -29.725 -3.833 1.00 0.00 H new ATOM 0 HA ARG A 84 35.695 -27.110 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG A 84 36.826 -29.035 -4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 84 35.458 -29.236 -5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 84 35.868 -26.917 -6.813 1.00 0.00 H new ATOM 0 HG3 ARG A 84 37.295 -26.816 -5.800 1.00 0.00 H new ATOM 0 HD2 ARG A 84 38.491 -28.346 -7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 84 37.058 -29.221 -7.572 1.00 0.00 H new ATOM 0 HE ARG A 84 36.993 -27.913 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 84 38.691 -26.177 -6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 84 39.094 -24.806 -7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 84 37.516 -26.148 -10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 84 38.432 -24.789 -10.147 1.00 0.00 H new ATOM 1388 N LEU A 85 34.048 -25.791 -5.059 1.00 0.00 N ATOM 1389 CA LEU A 85 33.016 -24.980 -5.697 1.00 0.00 C ATOM 1390 C LEU A 85 31.624 -25.482 -5.329 1.00 0.00 C ATOM 1391 O LEU A 85 30.737 -25.563 -6.179 1.00 0.00 O ATOM 1392 CB LEU A 85 33.192 -24.998 -7.216 1.00 0.00 C ATOM 1393 CG LEU A 85 34.097 -23.912 -7.800 1.00 0.00 C ATOM 1394 CD1 LEU A 85 35.492 -24.001 -7.200 1.00 0.00 C ATOM 1395 CD2 LEU A 85 34.158 -24.026 -9.316 1.00 0.00 C ATOM 0 H LEU A 85 34.813 -25.255 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 85 33.120 -23.956 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 85 33.592 -25.970 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU A 85 32.208 -24.910 -7.677 1.00 0.00 H new ATOM 0 HG LEU A 85 33.676 -22.939 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 85 36.122 -23.221 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 85 35.433 -23.869 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.922 -24.977 -7.423 1.00 0.00 H new ATOM 0 HD21 LEU A 85 34.806 -23.245 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 85 34.555 -25.003 -9.592 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.156 -23.912 -9.730 1.00 0.00 H new ATOM 1407 N VAL A 86 31.438 -25.816 -4.055 1.00 0.00 N ATOM 1408 CA VAL A 86 30.153 -26.307 -3.574 1.00 0.00 C ATOM 1409 C VAL A 86 29.827 -25.736 -2.198 1.00 0.00 C ATOM 1410 O VAL A 86 30.388 -26.162 -1.189 1.00 0.00 O ATOM 1411 CB VAL A 86 30.132 -27.845 -3.497 1.00 0.00 C ATOM 1412 CG1 VAL A 86 28.807 -28.335 -2.932 1.00 0.00 C ATOM 1413 CG2 VAL A 86 30.394 -28.451 -4.867 1.00 0.00 C ATOM 0 H VAL A 86 32.161 -25.755 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 86 29.400 -25.977 -4.290 1.00 0.00 H new ATOM 0 HB VAL A 86 30.927 -28.168 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 86 28.812 -29.424 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 86 28.667 -27.930 -1.930 1.00 0.00 H new ATOM 0 HG13 VAL A 86 27.992 -28.003 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 86 30.375 -29.538 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 86 29.624 -28.121 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 86 31.371 -28.128 -5.227 1.00 0.00 H new ATOM 1423 N TYR A 87 28.916 -24.770 -2.166 1.00 0.00 N ATOM 1424 CA TYR A 87 28.516 -24.138 -0.914 1.00 0.00 C ATOM 1425 C TYR A 87 27.091 -24.532 -0.536 1.00 0.00 C ATOM 1426 O TYR A 87 26.381 -25.165 -1.318 1.00 0.00 O ATOM 1427 CB TYR A 87 28.622 -22.616 -1.030 1.00 0.00 C ATOM 1428 CG TYR A 87 29.997 -22.135 -1.435 1.00 0.00 C ATOM 1429 CD1 TYR A 87 30.469 -22.327 -2.728 1.00 0.00 C ATOM 1430 CD2 TYR A 87 30.824 -21.487 -0.525 1.00 0.00 C ATOM 1431 CE1 TYR A 87 31.725 -21.890 -3.102 1.00 0.00 C ATOM 1432 CE2 TYR A 87 32.081 -21.045 -0.891 1.00 0.00 C ATOM 1433 CZ TYR A 87 32.527 -21.249 -2.181 1.00 0.00 C ATOM 1434 OH TYR A 87 33.778 -20.810 -2.550 1.00 0.00 O ATOM 0 H TYR A 87 28.441 -24.407 -2.992 1.00 0.00 H new ATOM 0 HA TYR A 87 29.190 -24.484 -0.130 1.00 0.00 H new ATOM 0 HB2 TYR A 87 27.893 -22.264 -1.760 1.00 0.00 H new ATOM 0 HB3 TYR A 87 28.357 -22.167 -0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 87 29.843 -22.826 -3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 87 30.478 -21.326 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 87 32.077 -22.049 -4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 87 32.711 -20.543 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 87 34.212 -20.379 -1.785 1.00 0.00 H new ATOM 1444 N LYS A 88 26.679 -24.151 0.668 1.00 0.00 N ATOM 1445 CA LYS A 88 25.339 -24.461 1.152 1.00 0.00 C ATOM 1446 C LYS A 88 24.841 -23.379 2.105 1.00 0.00 C ATOM 1447 O LYS A 88 25.510 -23.043 3.083 1.00 0.00 O ATOM 1448 CB LYS A 88 25.330 -25.820 1.857 1.00 0.00 C ATOM 1449 CG LYS A 88 24.026 -26.126 2.572 1.00 0.00 C ATOM 1450 CD LYS A 88 24.254 -26.987 3.803 1.00 0.00 C ATOM 1451 CE LYS A 88 23.092 -27.938 4.041 1.00 0.00 C ATOM 1452 NZ LYS A 88 22.966 -28.312 5.477 1.00 0.00 N ATOM 0 H LYS A 88 27.254 -23.627 1.327 1.00 0.00 H new ATOM 0 HA LYS A 88 24.670 -24.500 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 88 25.524 -26.602 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 88 26.146 -25.851 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 88 23.542 -25.194 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 88 23.347 -26.638 1.890 1.00 0.00 H new ATOM 0 HD2 LYS A 88 25.174 -27.558 3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 88 24.387 -26.348 4.676 1.00 0.00 H new ATOM 0 HE2 LYS A 88 22.166 -27.471 3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 88 23.231 -28.838 3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 22.162 -28.961 5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 23.840 -28.780 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.808 -27.456 6.046 1.00 0.00 H new ATOM 1466 N PHE A 89 23.662 -22.839 1.815 1.00 0.00 N ATOM 1467 CA PHE A 89 23.075 -21.795 2.647 1.00 0.00 C ATOM 1468 C PHE A 89 22.674 -22.348 4.012 1.00 0.00 C ATOM 1469 O PHE A 89 22.050 -23.403 4.107 1.00 0.00 O ATOM 1470 CB PHE A 89 21.854 -21.186 1.953 1.00 0.00 C ATOM 1471 CG PHE A 89 22.176 -20.533 0.639 1.00 0.00 C ATOM 1472 CD1 PHE A 89 22.729 -19.263 0.599 1.00 0.00 C ATOM 1473 CD2 PHE A 89 21.925 -21.188 -0.555 1.00 0.00 C ATOM 1474 CE1 PHE A 89 23.027 -18.659 -0.608 1.00 0.00 C ATOM 1475 CE2 PHE A 89 22.221 -20.589 -1.765 1.00 0.00 C ATOM 1476 CZ PHE A 89 22.771 -19.322 -1.791 1.00 0.00 C ATOM 0 H PHE A 89 23.095 -23.107 1.011 1.00 0.00 H new ATOM 0 HA PHE A 89 23.826 -21.019 2.795 1.00 0.00 H new ATOM 0 HB2 PHE A 89 21.112 -21.967 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 89 21.400 -20.448 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 89 22.930 -18.739 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 89 21.493 -22.178 -0.541 1.00 0.00 H new ATOM 0 HE1 PHE A 89 23.460 -17.670 -0.625 1.00 0.00 H new ATOM 0 HE2 PHE A 89 22.022 -21.111 -2.689 1.00 0.00 H new ATOM 0 HZ PHE A 89 23.000 -18.851 -2.736 1.00 0.00 H new ATOM 1486 N GLY A 90 23.040 -21.626 5.067 1.00 0.00 N ATOM 1487 CA GLY A 90 22.711 -22.060 6.412 1.00 0.00 C ATOM 1488 C GLY A 90 21.269 -21.772 6.778 1.00 0.00 C ATOM 1489 O GLY A 90 20.393 -21.748 5.913 1.00 0.00 O ATOM 0 H GLY A 90 23.558 -20.749 5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.898 -23.130 6.501 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.370 -21.561 7.123 1.00 0.00 H new ATOM 1493 N LYS A 91 21.019 -21.554 8.065 1.00 0.00 N ATOM 1494 CA LYS A 91 19.672 -21.267 8.545 1.00 0.00 C ATOM 1495 C LYS A 91 19.428 -19.763 8.612 1.00 0.00 C ATOM 1496 O LYS A 91 18.286 -19.313 8.705 1.00 0.00 O ATOM 1497 CB LYS A 91 19.457 -21.891 9.926 1.00 0.00 C ATOM 1498 CG LYS A 91 20.347 -21.300 11.006 1.00 0.00 C ATOM 1499 CD LYS A 91 21.233 -22.359 11.639 1.00 0.00 C ATOM 1500 CE LYS A 91 22.534 -21.763 12.154 1.00 0.00 C ATOM 1501 NZ LYS A 91 22.303 -20.817 13.280 1.00 0.00 N ATOM 0 H LYS A 91 21.732 -21.571 8.794 1.00 0.00 H new ATOM 0 HA LYS A 91 18.962 -21.702 7.842 1.00 0.00 H new ATOM 0 HB2 LYS A 91 18.414 -21.762 10.215 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.640 -22.964 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.968 -20.514 10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 91 19.729 -20.835 11.774 1.00 0.00 H new ATOM 0 HD2 LYS A 91 20.700 -22.837 12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 91 21.452 -23.136 10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 91 23.195 -22.564 12.483 1.00 0.00 H new ATOM 0 HE3 LYS A 91 23.042 -21.243 11.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 23.214 -20.432 13.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.692 -20.038 12.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.841 -21.318 14.065 1.00 0.00 H new ATOM 1515 N ASN A 92 20.508 -18.989 8.562 1.00 0.00 N ATOM 1516 CA ASN A 92 20.410 -17.535 8.616 1.00 0.00 C ATOM 1517 C ASN A 92 19.774 -16.985 7.343 1.00 0.00 C ATOM 1518 O ASN A 92 19.069 -15.977 7.375 1.00 0.00 O ATOM 1519 CB ASN A 92 21.795 -16.917 8.816 1.00 0.00 C ATOM 1520 CG ASN A 92 22.014 -16.435 10.237 1.00 0.00 C ATOM 1521 OD1 ASN A 92 21.989 -15.235 10.508 1.00 0.00 O ATOM 1522 ND2 ASN A 92 22.231 -17.373 11.152 1.00 0.00 N ATOM 0 H ASN A 92 21.461 -19.345 8.484 1.00 0.00 H new ATOM 0 HA ASN A 92 19.776 -17.269 9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 92 22.558 -17.653 8.563 1.00 0.00 H new ATOM 0 HB3 ASN A 92 21.919 -16.080 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 92 22.386 -17.110 12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 92 22.243 -18.356 10.881 1.00 0.00 H new ATOM 1529 N ALA A 93 20.027 -17.656 6.224 1.00 0.00 N ATOM 1530 CA ALA A 93 19.477 -17.236 4.941 1.00 0.00 C ATOM 1531 C ALA A 93 18.008 -17.625 4.820 1.00 0.00 C ATOM 1532 O ALA A 93 17.604 -18.708 5.245 1.00 0.00 O ATOM 1533 CB ALA A 93 20.281 -17.842 3.800 1.00 0.00 C ATOM 0 H ALA A 93 20.609 -18.492 6.180 1.00 0.00 H new ATOM 0 HA ALA A 93 19.544 -16.150 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.860 -17.521 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 93 21.317 -17.511 3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 93 20.243 -18.929 3.865 1.00 0.00 H new ATOM 1539 N HIS A 94 17.211 -16.734 4.238 1.00 0.00 N ATOM 1540 CA HIS A 94 15.785 -16.984 4.062 1.00 0.00 C ATOM 1541 C HIS A 94 15.388 -16.852 2.595 1.00 0.00 C ATOM 1542 O HIS A 94 15.981 -16.075 1.848 1.00 0.00 O ATOM 1543 CB HIS A 94 14.966 -16.013 4.913 1.00 0.00 C ATOM 1544 CG HIS A 94 15.403 -14.586 4.781 1.00 0.00 C ATOM 1545 ND1 HIS A 94 14.613 -13.606 4.217 1.00 0.00 N ATOM 1546 CD2 HIS A 94 16.554 -13.975 5.147 1.00 0.00 C ATOM 1547 CE1 HIS A 94 15.261 -12.455 4.239 1.00 0.00 C ATOM 1548 NE2 HIS A 94 16.441 -12.652 4.799 1.00 0.00 N ATOM 0 H HIS A 94 17.529 -15.833 3.881 1.00 0.00 H new ATOM 0 HA HIS A 94 15.577 -18.004 4.387 1.00 0.00 H new ATOM 0 HB2 HIS A 94 13.916 -16.091 4.630 1.00 0.00 H new ATOM 0 HB3 HIS A 94 15.037 -16.311 5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 94 17.403 -14.442 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.889 -11.513 3.863 1.00 0.00 H new ATOM 0 HE2 HIS A 94 17.153 -11.937 4.949 1.00 0.00 H new ATOM 1556 N GLY A 95 14.380 -17.618 2.188 1.00 0.00 N ATOM 1557 CA GLY A 95 13.922 -17.572 0.812 1.00 0.00 C ATOM 1558 C GLY A 95 14.106 -18.895 0.095 1.00 0.00 C ATOM 1559 O GLY A 95 13.247 -19.313 -0.682 1.00 0.00 O ATOM 0 H GLY A 95 13.873 -18.269 2.787 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.868 -17.295 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 95 14.466 -16.794 0.277 1.00 0.00 H new ATOM 1563 N TRP A 96 15.229 -19.555 0.354 1.00 0.00 N ATOM 1564 CA TRP A 96 15.524 -20.837 -0.274 1.00 0.00 C ATOM 1565 C TRP A 96 14.834 -21.978 0.466 1.00 0.00 C ATOM 1566 O TRP A 96 14.284 -22.887 -0.153 1.00 0.00 O ATOM 1567 CB TRP A 96 17.035 -21.076 -0.309 1.00 0.00 C ATOM 1568 CG TRP A 96 17.599 -21.504 1.011 1.00 0.00 C ATOM 1569 CD1 TRP A 96 18.172 -20.701 1.957 1.00 0.00 C ATOM 1570 CD2 TRP A 96 17.648 -22.837 1.532 1.00 0.00 C ATOM 1571 NE1 TRP A 96 18.573 -21.455 3.033 1.00 0.00 N ATOM 1572 CE2 TRP A 96 18.262 -22.768 2.798 1.00 0.00 C ATOM 1573 CE3 TRP A 96 17.230 -24.081 1.053 1.00 0.00 C ATOM 1574 CZ2 TRP A 96 18.468 -23.896 3.587 1.00 0.00 C ATOM 1575 CZ3 TRP A 96 17.436 -25.200 1.837 1.00 0.00 C ATOM 1576 CH2 TRP A 96 18.050 -25.102 3.093 1.00 0.00 C ATOM 0 H TRP A 96 15.950 -19.223 0.995 1.00 0.00 H new ATOM 0 HA TRP A 96 15.144 -20.808 -1.295 1.00 0.00 H new ATOM 0 HB2 TRP A 96 17.258 -21.838 -1.056 1.00 0.00 H new ATOM 0 HB3 TRP A 96 17.533 -20.161 -0.629 1.00 0.00 H new ATOM 0 HD1 TRP A 96 18.292 -19.631 1.871 1.00 0.00 H new ATOM 0 HE1 TRP A 96 19.029 -21.095 3.872 1.00 0.00 H new ATOM 0 HE3 TRP A 96 16.754 -24.167 0.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 18.941 -23.822 4.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 17.118 -26.167 1.476 1.00 0.00 H new ATOM 0 HH2 TRP A 96 18.196 -25.995 3.682 1.00 0.00 H new ATOM 1587 N GLN A 97 14.868 -21.921 1.794 1.00 0.00 N ATOM 1588 CA GLN A 97 14.245 -22.951 2.618 1.00 0.00 C ATOM 1589 C GLN A 97 12.798 -23.184 2.196 1.00 0.00 C ATOM 1590 O GLN A 97 12.133 -22.276 1.698 1.00 0.00 O ATOM 1591 CB GLN A 97 14.301 -22.556 4.094 1.00 0.00 C ATOM 1592 CG GLN A 97 15.269 -23.395 4.913 1.00 0.00 C ATOM 1593 CD GLN A 97 15.741 -22.685 6.166 1.00 0.00 C ATOM 1594 OE1 GLN A 97 15.515 -23.155 7.282 1.00 0.00 O ATOM 1595 NE2 GLN A 97 16.401 -21.547 5.990 1.00 0.00 N ATOM 0 H GLN A 97 15.320 -21.174 2.322 1.00 0.00 H new ATOM 0 HA GLN A 97 14.799 -23.879 2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 97 14.588 -21.507 4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.303 -22.645 4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.786 -24.332 5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 97 16.132 -23.651 4.298 1.00 0.00 H new ATOM 0 HE21 GLN A 97 16.566 -21.194 5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.743 -21.026 6.797 1.00 0.00 H new