USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 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 Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0387 K(o=-0.039,f=-1.6!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -0.0595 USER MOD Single : A 31 ASN : amide:sc= -8.8! C(o=-8.8!,f=-11!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.1!) USER MOD Single : A 40 GLN : amide:sc=-0.00012 K(o=-0.00012,f=-0.76) USER MOD Single : A 56 SER OG : rot 126:sc= 0.249 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -4.77! C(o=-5.4!,f=-4.8!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 159:sc= 0.0542 USER MOD Single : A 63 HIS : no HE2:sc= -2.32! C(o=-2.3!,f=-5.6!) USER MOD Single : A 64 GLN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 43:sc= 0.113 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= -0.0128 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 124 N TYR A 11 11.522 4.597 -4.434 1.00 0.00 N ATOM 125 CA TYR A 11 11.202 4.603 -3.017 1.00 0.00 C ATOM 126 C TYR A 11 10.375 5.836 -2.647 1.00 0.00 C ATOM 127 O TYR A 11 10.220 6.749 -3.455 1.00 0.00 O ATOM 128 CB TYR A 11 12.543 4.663 -2.282 1.00 0.00 C ATOM 129 CG TYR A 11 13.398 3.404 -2.442 1.00 0.00 C ATOM 130 CD1 TYR A 11 12.891 2.174 -2.075 1.00 0.00 C ATOM 131 CD2 TYR A 11 14.675 3.499 -2.955 1.00 0.00 C ATOM 132 CE1 TYR A 11 13.695 0.990 -2.226 1.00 0.00 C ATOM 133 CE2 TYR A 11 15.480 2.314 -3.106 1.00 0.00 C ATOM 134 CZ TYR A 11 14.950 1.118 -2.734 1.00 0.00 C ATOM 135 OH TYR A 11 15.710 -0.001 -2.877 1.00 0.00 O ATOM 0 HA TYR A 11 10.619 3.721 -2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 11 13.107 5.521 -2.646 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.357 4.831 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.891 2.100 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 11 15.071 4.461 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 11 13.310 0.022 -1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.482 2.374 -3.506 1.00 0.00 H new ATOM 0 HH TYR A 11 16.582 0.242 -3.252 1.00 0.00 H new ATOM 145 N LYS A 12 9.866 5.822 -1.423 1.00 0.00 N ATOM 146 CA LYS A 12 9.059 6.927 -0.936 1.00 0.00 C ATOM 147 C LYS A 12 8.129 7.406 -2.053 1.00 0.00 C ATOM 148 O LYS A 12 8.079 8.597 -2.356 1.00 0.00 O ATOM 149 CB LYS A 12 9.951 8.030 -0.364 1.00 0.00 C ATOM 150 CG LYS A 12 9.568 8.351 1.082 1.00 0.00 C ATOM 151 CD LYS A 12 10.311 7.440 2.061 1.00 0.00 C ATOM 152 CE LYS A 12 11.534 8.148 2.648 1.00 0.00 C ATOM 153 NZ LYS A 12 12.281 7.236 3.543 1.00 0.00 N ATOM 0 H LYS A 12 9.997 5.063 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 12 8.425 6.601 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.994 7.717 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.862 8.928 -0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.801 9.393 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.493 8.231 1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.639 7.140 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.624 6.529 1.550 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.184 8.491 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.219 9.033 3.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.108 7.732 3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.663 6.930 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.598 6.404 3.005 1.00 0.00 H new ATOM 167 N GLN A 13 7.417 6.452 -2.635 1.00 0.00 N ATOM 168 CA GLN A 13 6.492 6.761 -3.712 1.00 0.00 C ATOM 169 C GLN A 13 5.145 6.077 -3.469 1.00 0.00 C ATOM 170 O GLN A 13 5.096 4.882 -3.179 1.00 0.00 O ATOM 171 CB GLN A 13 7.074 6.358 -5.068 1.00 0.00 C ATOM 172 CG GLN A 13 6.086 6.652 -6.199 1.00 0.00 C ATOM 173 CD GLN A 13 6.779 6.592 -7.562 1.00 0.00 C ATOM 174 OE1 GLN A 13 7.993 6.648 -7.673 1.00 0.00 O ATOM 175 NE2 GLN A 13 5.943 6.476 -8.589 1.00 0.00 N ATOM 0 H GLN A 13 7.462 5.465 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 13 6.332 7.839 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.004 6.898 -5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.319 5.296 -5.061 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.270 5.930 -6.170 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.645 7.638 -6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.937 6.435 -8.426 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.308 6.428 -9.540 1.00 0.00 H new ATOM 184 N ILE A 14 4.086 6.863 -3.594 1.00 0.00 N ATOM 185 CA ILE A 14 2.743 6.347 -3.391 1.00 0.00 C ATOM 186 C ILE A 14 2.290 5.606 -4.651 1.00 0.00 C ATOM 187 O ILE A 14 2.444 6.110 -5.762 1.00 0.00 O ATOM 188 CB ILE A 14 1.796 7.472 -2.966 1.00 0.00 C ATOM 189 CG1 ILE A 14 2.407 8.305 -1.838 1.00 0.00 C ATOM 190 CG2 ILE A 14 0.421 6.917 -2.590 1.00 0.00 C ATOM 191 CD1 ILE A 14 2.030 7.735 -0.469 1.00 0.00 C ATOM 0 H ILE A 14 4.131 7.854 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 14 2.732 5.625 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 14 1.652 8.139 -3.816 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.492 8.324 -1.942 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.061 9.336 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.233 7.736 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.011 6.402 -3.448 1.00 0.00 H new ATOM 0 HG23 ILE A 14 0.526 6.216 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.477 8.346 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.946 7.740 -0.359 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.398 6.712 -0.387 1.00 0.00 H new ATOM 203 N VAL A 15 1.741 4.419 -4.435 1.00 0.00 N ATOM 204 CA VAL A 15 1.265 3.603 -5.538 1.00 0.00 C ATOM 205 C VAL A 15 0.164 2.666 -5.037 1.00 0.00 C ATOM 206 O VAL A 15 0.005 2.479 -3.831 1.00 0.00 O ATOM 207 CB VAL A 15 2.437 2.858 -6.181 1.00 0.00 C ATOM 208 CG1 VAL A 15 3.228 3.779 -7.112 1.00 0.00 C ATOM 209 CG2 VAL A 15 3.346 2.242 -5.116 1.00 0.00 C ATOM 0 H VAL A 15 1.616 4.003 -3.512 1.00 0.00 H new ATOM 0 HA VAL A 15 0.829 4.230 -6.316 1.00 0.00 H new ATOM 0 HB VAL A 15 2.028 2.046 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.055 3.225 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.573 4.148 -7.902 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.620 4.622 -6.543 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.171 1.719 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.742 3.030 -4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.774 1.538 -4.512 1.00 0.00 H new ATOM 219 N TRP A 16 -0.567 2.103 -5.987 1.00 0.00 N ATOM 220 CA TRP A 16 -1.649 1.190 -5.656 1.00 0.00 C ATOM 221 C TRP A 16 -1.084 -0.232 -5.655 1.00 0.00 C ATOM 222 O TRP A 16 -0.140 -0.529 -6.385 1.00 0.00 O ATOM 223 CB TRP A 16 -2.826 1.365 -6.617 1.00 0.00 C ATOM 224 CG TRP A 16 -3.523 2.722 -6.508 1.00 0.00 C ATOM 225 CD1 TRP A 16 -3.267 3.840 -7.201 1.00 0.00 C ATOM 226 CD2 TRP A 16 -4.609 3.062 -5.620 1.00 0.00 C ATOM 227 NE1 TRP A 16 -4.104 4.871 -6.827 1.00 0.00 N ATOM 228 CE2 TRP A 16 -4.946 4.383 -5.835 1.00 0.00 C ATOM 229 CE3 TRP A 16 -5.284 2.279 -4.667 1.00 0.00 C ATOM 230 CZ2 TRP A 16 -5.968 5.037 -5.135 1.00 0.00 C ATOM 231 CZ3 TRP A 16 -6.302 2.948 -3.976 1.00 0.00 C ATOM 232 CH2 TRP A 16 -6.654 4.277 -4.181 1.00 0.00 C ATOM 0 H TRP A 16 -0.432 2.261 -6.986 1.00 0.00 H new ATOM 0 HA TRP A 16 -2.048 1.407 -4.665 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.470 1.232 -7.639 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -3.556 0.577 -6.429 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.501 3.924 -7.958 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -4.105 5.817 -7.208 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.037 1.244 -4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -6.213 6.072 -5.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -6.852 2.392 -3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.453 4.721 -3.607 1.00 0.00 H new ATOM 243 N VAL A 17 -1.685 -1.072 -4.826 1.00 0.00 N ATOM 244 CA VAL A 17 -1.254 -2.456 -4.720 1.00 0.00 C ATOM 245 C VAL A 17 -2.324 -3.367 -5.325 1.00 0.00 C ATOM 246 O VAL A 17 -3.518 -3.139 -5.136 1.00 0.00 O ATOM 247 CB VAL A 17 -0.935 -2.794 -3.262 1.00 0.00 C ATOM 248 CG1 VAL A 17 -2.217 -3.028 -2.460 1.00 0.00 C ATOM 249 CG2 VAL A 17 -0.004 -4.004 -3.171 1.00 0.00 C ATOM 0 H VAL A 17 -2.467 -0.821 -4.221 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.335 -2.615 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.418 -1.939 -2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.962 -3.266 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.830 -2.127 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.773 -3.857 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.207 -4.223 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.483 -4.867 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.929 -3.785 -3.691 1.00 0.00 H new ATOM 259 N LYS A 18 -1.858 -4.380 -6.040 1.00 0.00 N ATOM 260 CA LYS A 18 -2.760 -5.326 -6.674 1.00 0.00 C ATOM 261 C LYS A 18 -3.073 -6.460 -5.695 1.00 0.00 C ATOM 262 O LYS A 18 -2.165 -7.048 -5.110 1.00 0.00 O ATOM 263 CB LYS A 18 -2.182 -5.807 -8.007 1.00 0.00 C ATOM 264 CG LYS A 18 -2.999 -6.971 -8.571 1.00 0.00 C ATOM 265 CD LYS A 18 -3.673 -6.581 -9.888 1.00 0.00 C ATOM 266 CE LYS A 18 -4.433 -7.766 -10.487 1.00 0.00 C ATOM 267 NZ LYS A 18 -5.893 -7.575 -10.337 1.00 0.00 N ATOM 0 H LYS A 18 -0.867 -4.566 -6.194 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.707 -4.844 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.173 -4.984 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.147 -6.119 -7.867 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.350 -7.832 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.755 -7.273 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.360 -5.752 -9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.921 -6.231 -10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.181 -7.872 -11.542 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.128 -8.688 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.394 -8.388 -10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.131 -7.497 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.182 -6.705 -10.829 1.00 0.00 H new ATOM 366 N TRP A 24 -8.261 -3.044 -5.171 1.00 0.00 N ATOM 367 CA TRP A 24 -6.916 -2.508 -5.049 1.00 0.00 C ATOM 368 C TRP A 24 -6.798 -1.834 -3.681 1.00 0.00 C ATOM 369 O TRP A 24 -7.804 -1.470 -3.075 1.00 0.00 O ATOM 370 CB TRP A 24 -6.595 -1.564 -6.210 1.00 0.00 C ATOM 371 CG TRP A 24 -6.392 -2.273 -7.550 1.00 0.00 C ATOM 372 CD1 TRP A 24 -7.317 -2.862 -8.321 1.00 0.00 C ATOM 373 CD2 TRP A 24 -5.142 -2.444 -8.252 1.00 0.00 C ATOM 374 NE1 TRP A 24 -6.758 -3.398 -9.463 1.00 0.00 N ATOM 375 CE2 TRP A 24 -5.393 -3.136 -9.419 1.00 0.00 C ATOM 376 CE3 TRP A 24 -3.843 -2.029 -7.911 1.00 0.00 C ATOM 377 CZ2 TRP A 24 -4.394 -3.473 -10.341 1.00 0.00 C ATOM 378 CZ3 TRP A 24 -2.856 -2.373 -8.842 1.00 0.00 C ATOM 379 CH2 TRP A 24 -3.092 -3.069 -10.022 1.00 0.00 C ATOM 0 HA TRP A 24 -6.176 -3.306 -5.109 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.405 -0.841 -6.312 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.694 -1.001 -5.968 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -8.368 -2.911 -8.079 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.254 -3.895 -10.203 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.624 -1.488 -7.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.616 -4.015 -11.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.840 -2.077 -8.629 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.274 -3.297 -10.690 1.00 0.00 H new ATOM 390 N TRP A 25 -5.559 -1.689 -3.233 1.00 0.00 N ATOM 391 CA TRP A 25 -5.296 -1.066 -1.947 1.00 0.00 C ATOM 392 C TRP A 25 -4.115 -0.108 -2.119 1.00 0.00 C ATOM 393 O TRP A 25 -3.158 -0.417 -2.826 1.00 0.00 O ATOM 394 CB TRP A 25 -5.057 -2.121 -0.865 1.00 0.00 C ATOM 395 CG TRP A 25 -5.099 -1.570 0.561 1.00 0.00 C ATOM 396 CD1 TRP A 25 -4.109 -0.985 1.249 1.00 0.00 C ATOM 397 CD2 TRP A 25 -6.235 -1.575 1.452 1.00 0.00 C ATOM 398 NE1 TRP A 25 -4.521 -0.615 2.513 1.00 0.00 N ATOM 399 CE2 TRP A 25 -5.855 -0.985 2.640 1.00 0.00 C ATOM 400 CE3 TRP A 25 -7.539 -2.062 1.260 1.00 0.00 C ATOM 401 CZ2 TRP A 25 -6.721 -0.827 3.729 1.00 0.00 C ATOM 402 CZ3 TRP A 25 -8.393 -1.897 2.357 1.00 0.00 C ATOM 403 CH2 TRP A 25 -8.026 -1.305 3.561 1.00 0.00 C ATOM 0 H TRP A 25 -4.726 -1.992 -3.738 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.162 -0.495 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -5.809 -2.904 -0.963 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.087 -2.588 -1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -3.113 -0.823 0.863 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -3.952 -0.155 3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -7.857 -2.527 0.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -6.399 -0.361 4.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -9.408 -2.254 2.262 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -8.744 -1.215 4.362 1.00 0.00 H new ATOM 414 N PRO A 26 -4.226 1.067 -1.443 1.00 0.00 N ATOM 415 CA PRO A 26 -3.179 2.072 -1.514 1.00 0.00 C ATOM 416 C PRO A 26 -1.967 1.663 -0.674 1.00 0.00 C ATOM 417 O PRO A 26 -2.120 1.082 0.400 1.00 0.00 O ATOM 418 CB PRO A 26 -3.832 3.355 -1.027 1.00 0.00 C ATOM 419 CG PRO A 26 -5.077 2.927 -0.266 1.00 0.00 C ATOM 420 CD PRO A 26 -5.345 1.468 -0.596 1.00 0.00 C ATOM 0 HA PRO A 26 -2.785 2.198 -2.523 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.155 3.918 -0.384 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.090 4.004 -1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.932 3.056 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -5.929 3.545 -0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.395 0.861 0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.296 1.348 -1.114 1.00 0.00 H new ATOM 428 N ALA A 27 -0.792 1.981 -1.195 1.00 0.00 N ATOM 429 CA ALA A 27 0.445 1.653 -0.506 1.00 0.00 C ATOM 430 C ALA A 27 1.553 2.595 -0.981 1.00 0.00 C ATOM 431 O ALA A 27 1.415 3.251 -2.013 1.00 0.00 O ATOM 432 CB ALA A 27 0.789 0.181 -0.746 1.00 0.00 C ATOM 0 H ALA A 27 -0.670 2.462 -2.086 1.00 0.00 H new ATOM 0 HA ALA A 27 0.333 1.790 0.569 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.717 -0.065 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.016 -0.448 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.912 0.006 -1.815 1.00 0.00 H new ATOM 438 N GLU A 28 2.627 2.632 -0.206 1.00 0.00 N ATOM 439 CA GLU A 28 3.758 3.483 -0.535 1.00 0.00 C ATOM 440 C GLU A 28 5.059 2.679 -0.485 1.00 0.00 C ATOM 441 O GLU A 28 5.338 2.003 0.503 1.00 0.00 O ATOM 442 CB GLU A 28 3.825 4.692 0.400 1.00 0.00 C ATOM 443 CG GLU A 28 5.218 5.324 0.381 1.00 0.00 C ATOM 444 CD GLU A 28 5.986 4.999 1.664 1.00 0.00 C ATOM 445 OE1 GLU A 28 5.339 5.023 2.733 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.202 4.734 1.546 1.00 0.00 O ATOM 0 H GLU A 28 2.738 2.087 0.649 1.00 0.00 H new ATOM 0 HA GLU A 28 3.623 3.857 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.083 5.431 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.575 4.385 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.775 4.960 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.129 6.405 0.270 1.00 0.00 H new ATOM 453 N ILE A 29 5.821 2.780 -1.565 1.00 0.00 N ATOM 454 CA ILE A 29 7.086 2.071 -1.657 1.00 0.00 C ATOM 455 C ILE A 29 8.048 2.612 -0.597 1.00 0.00 C ATOM 456 O ILE A 29 8.202 3.824 -0.454 1.00 0.00 O ATOM 457 CB ILE A 29 7.638 2.143 -3.082 1.00 0.00 C ATOM 458 CG1 ILE A 29 6.700 1.446 -4.069 1.00 0.00 C ATOM 459 CG2 ILE A 29 9.060 1.581 -3.148 1.00 0.00 C ATOM 460 CD1 ILE A 29 7.091 1.763 -5.514 1.00 0.00 C ATOM 0 H ILE A 29 5.586 3.342 -2.383 1.00 0.00 H new ATOM 0 HA ILE A 29 6.944 1.011 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 29 7.692 3.191 -3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.732 0.368 -3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.674 1.765 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.429 1.644 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.711 2.159 -2.492 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.055 0.539 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.408 1.255 -6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.034 2.839 -5.679 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.109 1.421 -5.699 1.00 0.00 H new ATOM 472 N CYS A 30 8.669 1.687 0.120 1.00 0.00 N ATOM 473 CA CYS A 30 9.611 2.056 1.163 1.00 0.00 C ATOM 474 C CYS A 30 10.986 1.499 0.787 1.00 0.00 C ATOM 475 O CYS A 30 11.106 0.714 -0.152 1.00 0.00 O ATOM 476 CB CYS A 30 9.153 1.567 2.538 1.00 0.00 C ATOM 477 SG CYS A 30 9.343 2.904 3.773 1.00 0.00 S ATOM 0 H CYS A 30 8.538 0.683 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 30 9.668 3.142 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.111 1.249 2.492 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.739 0.698 2.838 1.00 0.00 H new ATOM 0 HG CYS A 30 8.949 2.479 4.937 1.00 0.00 H new ATOM 483 N ASN A 31 11.988 1.927 1.541 1.00 0.00 N ATOM 484 CA ASN A 31 13.350 1.481 1.299 1.00 0.00 C ATOM 485 C ASN A 31 13.665 0.297 2.216 1.00 0.00 C ATOM 486 O ASN A 31 12.945 0.047 3.181 1.00 0.00 O ATOM 487 CB ASN A 31 14.356 2.593 1.600 1.00 0.00 C ATOM 488 CG ASN A 31 14.780 3.311 0.317 1.00 0.00 C ATOM 489 OD1 ASN A 31 15.482 2.772 -0.523 1.00 0.00 O ATOM 490 ND2 ASN A 31 14.318 4.554 0.214 1.00 0.00 N ATOM 0 H ASN A 31 11.884 2.578 2.320 1.00 0.00 H new ATOM 0 HA ASN A 31 13.430 1.197 0.250 1.00 0.00 H new ATOM 0 HB2 ASN A 31 13.915 3.309 2.293 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.233 2.172 2.092 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.547 5.117 -0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.735 4.944 0.954 1.00 0.00 H new ATOM 497 N PRO A 32 14.770 -0.417 1.873 1.00 0.00 N ATOM 498 CA PRO A 32 15.189 -1.568 2.655 1.00 0.00 C ATOM 499 C PRO A 32 15.837 -1.131 3.970 1.00 0.00 C ATOM 500 O PRO A 32 15.894 -1.904 4.926 1.00 0.00 O ATOM 501 CB PRO A 32 16.140 -2.334 1.750 1.00 0.00 C ATOM 502 CG PRO A 32 16.579 -1.348 0.679 1.00 0.00 C ATOM 503 CD PRO A 32 15.646 -0.150 0.737 1.00 0.00 C ATOM 0 HA PRO A 32 14.353 -2.199 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.996 -2.709 2.311 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.646 -3.199 1.306 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.610 -1.037 0.846 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.542 -1.813 -0.306 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.201 0.778 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.076 -0.047 -0.187 1.00 0.00 H new ATOM 511 N ARG A 33 16.309 0.107 3.978 1.00 0.00 N ATOM 512 CA ARG A 33 16.951 0.656 5.160 1.00 0.00 C ATOM 513 C ARG A 33 15.910 1.293 6.082 1.00 0.00 C ATOM 514 O ARG A 33 16.175 1.517 7.262 1.00 0.00 O ATOM 515 CB ARG A 33 17.997 1.706 4.781 1.00 0.00 C ATOM 516 CG ARG A 33 19.047 1.119 3.835 1.00 0.00 C ATOM 517 CD ARG A 33 20.278 0.645 4.609 1.00 0.00 C ATOM 518 NE ARG A 33 21.496 0.836 3.790 1.00 0.00 N ATOM 519 CZ ARG A 33 22.738 0.890 4.290 1.00 0.00 C ATOM 520 NH1 ARG A 33 22.934 0.768 5.610 1.00 0.00 N ATOM 521 NH2 ARG A 33 23.783 1.067 3.471 1.00 0.00 N ATOM 0 H ARG A 33 16.260 0.746 3.184 1.00 0.00 H new ATOM 0 HA ARG A 33 17.447 -0.164 5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 33 17.508 2.556 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 33 18.483 2.081 5.681 1.00 0.00 H new ATOM 0 HG2 ARG A 33 18.617 0.284 3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 33 19.341 1.870 3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 33 20.367 1.201 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 33 20.169 -0.407 4.873 1.00 0.00 H new ATOM 0 HE ARG A 33 21.383 0.933 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 33 22.138 0.634 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.879 0.809 5.991 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.633 1.161 2.466 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.728 1.108 3.852 1.00 0.00 H new ATOM 535 N SER A 34 14.747 1.566 5.509 1.00 0.00 N ATOM 536 CA SER A 34 13.664 2.172 6.265 1.00 0.00 C ATOM 537 C SER A 34 12.896 1.096 7.034 1.00 0.00 C ATOM 538 O SER A 34 12.693 1.216 8.241 1.00 0.00 O ATOM 539 CB SER A 34 12.717 2.946 5.346 1.00 0.00 C ATOM 540 OG SER A 34 12.500 4.279 5.802 1.00 0.00 O ATOM 0 H SER A 34 14.531 1.379 4.530 1.00 0.00 H new ATOM 0 HA SER A 34 14.096 2.878 6.975 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.130 2.971 4.338 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.762 2.423 5.286 1.00 0.00 H new ATOM 0 HG SER A 34 11.892 4.740 5.187 1.00 0.00 H new ATOM 546 N VAL A 35 12.489 0.068 6.303 1.00 0.00 N ATOM 547 CA VAL A 35 11.748 -1.029 6.902 1.00 0.00 C ATOM 548 C VAL A 35 12.596 -1.672 8.001 1.00 0.00 C ATOM 549 O VAL A 35 13.822 -1.569 7.984 1.00 0.00 O ATOM 550 CB VAL A 35 11.317 -2.022 5.820 1.00 0.00 C ATOM 551 CG1 VAL A 35 10.511 -1.322 4.724 1.00 0.00 C ATOM 552 CG2 VAL A 35 12.527 -2.750 5.232 1.00 0.00 C ATOM 0 H VAL A 35 12.658 -0.028 5.302 1.00 0.00 H new ATOM 0 HA VAL A 35 10.834 -0.662 7.370 1.00 0.00 H new ATOM 0 HB VAL A 35 10.672 -2.767 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.217 -2.050 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 35 9.619 -0.871 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.122 -0.546 4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.194 -3.450 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.208 -2.024 4.789 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.042 -3.296 6.022 1.00 0.00 H new ATOM 562 N PRO A 36 11.892 -2.340 8.954 1.00 0.00 N ATOM 563 CA PRO A 36 12.567 -3.000 10.058 1.00 0.00 C ATOM 564 C PRO A 36 13.235 -4.296 9.596 1.00 0.00 C ATOM 565 O PRO A 36 12.778 -4.930 8.646 1.00 0.00 O ATOM 566 CB PRO A 36 11.485 -3.229 11.101 1.00 0.00 C ATOM 567 CG PRO A 36 10.162 -3.113 10.361 1.00 0.00 C ATOM 568 CD PRO A 36 10.440 -2.482 9.006 1.00 0.00 C ATOM 0 HA PRO A 36 13.380 -2.403 10.471 1.00 0.00 H new ATOM 0 HB2 PRO A 36 11.589 -4.211 11.563 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.551 -2.492 11.901 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.706 -4.095 10.238 1.00 0.00 H new ATOM 0 HG3 PRO A 36 9.459 -2.504 10.929 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.074 -3.111 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.944 -1.516 8.910 1.00 0.00 H new ATOM 576 N LEU A 37 14.308 -4.651 10.289 1.00 0.00 N ATOM 577 CA LEU A 37 15.044 -5.860 9.961 1.00 0.00 C ATOM 578 C LEU A 37 14.058 -7.012 9.754 1.00 0.00 C ATOM 579 O LEU A 37 14.304 -7.906 8.946 1.00 0.00 O ATOM 580 CB LEU A 37 16.107 -6.145 11.024 1.00 0.00 C ATOM 581 CG LEU A 37 17.556 -5.880 10.610 1.00 0.00 C ATOM 582 CD1 LEU A 37 17.891 -6.593 9.299 1.00 0.00 C ATOM 583 CD2 LEU A 37 17.840 -4.379 10.535 1.00 0.00 C ATOM 0 H LEU A 37 14.685 -4.122 11.076 1.00 0.00 H new ATOM 0 HA LEU A 37 15.588 -5.733 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.885 -5.540 11.903 1.00 0.00 H new ATOM 0 HB3 LEU A 37 16.021 -7.189 11.325 1.00 0.00 H new ATOM 0 HG LEU A 37 18.211 -6.293 11.377 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.927 -6.388 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 37 17.754 -7.667 9.424 1.00 0.00 H new ATOM 0 HD13 LEU A 37 17.231 -6.233 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 37 18.877 -4.219 10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.178 -3.920 9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 37 17.668 -3.927 11.512 1.00 0.00 H new ATOM 595 N ASN A 38 12.963 -6.952 10.498 1.00 0.00 N ATOM 596 CA ASN A 38 11.939 -7.979 10.405 1.00 0.00 C ATOM 597 C ASN A 38 11.610 -8.234 8.933 1.00 0.00 C ATOM 598 O ASN A 38 11.521 -9.383 8.503 1.00 0.00 O ATOM 599 CB ASN A 38 10.653 -7.540 11.108 1.00 0.00 C ATOM 600 CG ASN A 38 9.865 -8.749 11.615 1.00 0.00 C ATOM 601 OD1 ASN A 38 10.341 -9.872 11.628 1.00 0.00 O ATOM 602 ND2 ASN A 38 8.635 -8.458 12.030 1.00 0.00 N ATOM 0 H ASN A 38 12.763 -6.209 11.167 1.00 0.00 H new ATOM 0 HA ASN A 38 12.322 -8.881 10.883 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.897 -6.884 11.944 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.037 -6.963 10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.029 -9.197 12.386 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.298 -7.496 11.992 1.00 0.00 H new ATOM 609 N ILE A 39 11.438 -7.143 8.201 1.00 0.00 N ATOM 610 CA ILE A 39 11.120 -7.234 6.786 1.00 0.00 C ATOM 611 C ILE A 39 12.379 -7.626 6.009 1.00 0.00 C ATOM 612 O ILE A 39 12.358 -8.572 5.223 1.00 0.00 O ATOM 613 CB ILE A 39 10.474 -5.936 6.297 1.00 0.00 C ATOM 614 CG1 ILE A 39 9.359 -5.488 7.244 1.00 0.00 C ATOM 615 CG2 ILE A 39 9.980 -6.078 4.856 1.00 0.00 C ATOM 616 CD1 ILE A 39 8.435 -6.656 7.594 1.00 0.00 C ATOM 0 H ILE A 39 11.513 -6.192 8.561 1.00 0.00 H new ATOM 0 HA ILE A 39 10.381 -8.016 6.611 1.00 0.00 H new ATOM 0 HB ILE A 39 11.233 -5.154 6.301 1.00 0.00 H new ATOM 0 HG12 ILE A 39 9.794 -5.078 8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.781 -4.689 6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 39 9.525 -5.141 4.533 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.821 -6.316 4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.241 -6.878 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.651 -6.311 8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 39 7.983 -7.048 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.011 -7.443 8.081 1.00 0.00 H new ATOM 628 N GLN A 40 13.444 -6.878 6.256 1.00 0.00 N ATOM 629 CA GLN A 40 14.710 -7.135 5.590 1.00 0.00 C ATOM 630 C GLN A 40 14.997 -8.637 5.557 1.00 0.00 C ATOM 631 O GLN A 40 15.696 -9.120 4.668 1.00 0.00 O ATOM 632 CB GLN A 40 15.851 -6.373 6.267 1.00 0.00 C ATOM 633 CG GLN A 40 15.623 -4.862 6.190 1.00 0.00 C ATOM 634 CD GLN A 40 16.772 -4.100 6.854 1.00 0.00 C ATOM 635 OE1 GLN A 40 17.931 -4.472 6.766 1.00 0.00 O ATOM 636 NE2 GLN A 40 16.387 -3.017 7.523 1.00 0.00 N ATOM 0 H GLN A 40 13.457 -6.094 6.908 1.00 0.00 H new ATOM 0 HA GLN A 40 14.637 -6.776 4.563 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.929 -6.680 7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 40 16.797 -6.627 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.534 -4.557 5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 40 14.682 -4.607 6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.400 -2.762 7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.079 -2.441 8.003 1.00 0.00 H new ATOM 645 N GLY A 41 14.442 -9.335 6.537 1.00 0.00 N ATOM 646 CA GLY A 41 14.630 -10.773 6.631 1.00 0.00 C ATOM 647 C GLY A 41 14.053 -11.483 5.405 1.00 0.00 C ATOM 648 O GLY A 41 14.682 -12.383 4.852 1.00 0.00 O ATOM 0 H GLY A 41 13.862 -8.932 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 41 15.693 -10.999 6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.147 -11.148 7.533 1.00 0.00 H new ATOM 652 N LEU A 42 12.863 -11.050 5.016 1.00 0.00 N ATOM 653 CA LEU A 42 12.195 -11.633 3.865 1.00 0.00 C ATOM 654 C LEU A 42 13.205 -11.812 2.730 1.00 0.00 C ATOM 655 O LEU A 42 13.668 -12.923 2.476 1.00 0.00 O ATOM 656 CB LEU A 42 10.974 -10.798 3.474 1.00 0.00 C ATOM 657 CG LEU A 42 10.010 -10.448 4.610 1.00 0.00 C ATOM 658 CD1 LEU A 42 8.811 -9.654 4.086 1.00 0.00 C ATOM 659 CD2 LEU A 42 9.578 -11.704 5.370 1.00 0.00 C ATOM 0 H LEU A 42 12.344 -10.303 5.477 1.00 0.00 H new ATOM 0 HA LEU A 42 11.811 -12.623 4.110 1.00 0.00 H new ATOM 0 HB2 LEU A 42 11.323 -9.870 3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.419 -11.338 2.707 1.00 0.00 H new ATOM 0 HG LEU A 42 10.535 -9.808 5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.141 -9.418 4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.160 -8.729 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.277 -10.249 3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.893 -11.427 6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.077 -12.389 4.686 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.455 -12.192 5.795 1.00 0.00 H new ATOM 748 N ASP A 48 11.865 -6.389 -7.023 1.00 0.00 N ATOM 749 CA ASP A 48 10.921 -6.420 -5.919 1.00 0.00 C ATOM 750 C ASP A 48 11.459 -5.568 -4.768 1.00 0.00 C ATOM 751 O ASP A 48 12.509 -5.872 -4.205 1.00 0.00 O ATOM 752 CB ASP A 48 10.727 -7.847 -5.401 1.00 0.00 C ATOM 753 CG ASP A 48 10.436 -8.893 -6.479 1.00 0.00 C ATOM 754 OD1 ASP A 48 10.563 -8.532 -7.669 1.00 0.00 O ATOM 755 OD2 ASP A 48 10.093 -10.030 -6.089 1.00 0.00 O ATOM 0 HA ASP A 48 9.968 -6.034 -6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.624 -8.146 -4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.906 -7.849 -4.684 1.00 0.00 H new ATOM 760 N PHE A 49 10.715 -4.518 -4.453 1.00 0.00 N ATOM 761 CA PHE A 49 11.105 -3.620 -3.379 1.00 0.00 C ATOM 762 C PHE A 49 10.095 -3.668 -2.231 1.00 0.00 C ATOM 763 O PHE A 49 8.969 -4.130 -2.408 1.00 0.00 O ATOM 764 CB PHE A 49 11.127 -2.206 -3.965 1.00 0.00 C ATOM 765 CG PHE A 49 10.009 -1.933 -4.972 1.00 0.00 C ATOM 766 CD1 PHE A 49 8.733 -1.746 -4.539 1.00 0.00 C ATOM 767 CD2 PHE A 49 10.290 -1.876 -6.302 1.00 0.00 C ATOM 768 CE1 PHE A 49 7.696 -1.491 -5.474 1.00 0.00 C ATOM 769 CE2 PHE A 49 9.252 -1.622 -7.237 1.00 0.00 C ATOM 770 CZ PHE A 49 7.977 -1.435 -6.803 1.00 0.00 C ATOM 0 H PHE A 49 9.844 -4.269 -4.922 1.00 0.00 H new ATOM 0 HA PHE A 49 12.078 -3.912 -2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.053 -1.485 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 49 12.088 -2.040 -4.451 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.509 -1.792 -3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.303 -2.024 -6.647 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.683 -1.341 -5.130 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.475 -1.577 -8.293 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.187 -1.242 -7.514 1.00 0.00 H new ATOM 780 N PRO A 50 10.546 -3.171 -1.048 1.00 0.00 N ATOM 781 CA PRO A 50 9.695 -3.152 0.129 1.00 0.00 C ATOM 782 C PRO A 50 8.641 -2.047 0.027 1.00 0.00 C ATOM 783 O PRO A 50 8.968 -0.899 -0.271 1.00 0.00 O ATOM 784 CB PRO A 50 10.645 -2.960 1.299 1.00 0.00 C ATOM 785 CG PRO A 50 11.933 -2.414 0.704 1.00 0.00 C ATOM 786 CD PRO A 50 11.873 -2.615 -0.801 1.00 0.00 C ATOM 0 HA PRO A 50 9.120 -4.071 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.229 -2.268 2.031 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.823 -3.903 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.046 -1.357 0.944 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.796 -2.930 1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.013 -1.674 -1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.656 -3.293 -1.142 1.00 0.00 H new ATOM 794 N VAL A 51 7.399 -2.433 0.279 1.00 0.00 N ATOM 795 CA VAL A 51 6.296 -1.489 0.219 1.00 0.00 C ATOM 796 C VAL A 51 5.449 -1.620 1.487 1.00 0.00 C ATOM 797 O VAL A 51 5.285 -2.717 2.018 1.00 0.00 O ATOM 798 CB VAL A 51 5.490 -1.707 -1.063 1.00 0.00 C ATOM 799 CG1 VAL A 51 6.400 -1.686 -2.292 1.00 0.00 C ATOM 800 CG2 VAL A 51 4.691 -3.009 -0.994 1.00 0.00 C ATOM 0 H VAL A 51 7.132 -3.386 0.525 1.00 0.00 H new ATOM 0 HA VAL A 51 6.670 -0.466 0.182 1.00 0.00 H new ATOM 0 HB VAL A 51 4.781 -0.885 -1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.802 -1.843 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.903 -0.721 -2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.144 -2.478 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.127 -3.139 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.374 -3.849 -0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.001 -2.968 -0.151 1.00 0.00 H new ATOM 810 N PHE A 52 4.933 -0.485 1.935 1.00 0.00 N ATOM 811 CA PHE A 52 4.107 -0.459 3.131 1.00 0.00 C ATOM 812 C PHE A 52 2.635 -0.237 2.775 1.00 0.00 C ATOM 813 O PHE A 52 2.291 0.751 2.129 1.00 0.00 O ATOM 814 CB PHE A 52 4.595 0.712 3.986 1.00 0.00 C ATOM 815 CG PHE A 52 3.751 0.963 5.237 1.00 0.00 C ATOM 816 CD1 PHE A 52 3.990 0.253 6.373 1.00 0.00 C ATOM 817 CD2 PHE A 52 2.761 1.895 5.214 1.00 0.00 C ATOM 818 CE1 PHE A 52 3.206 0.486 7.534 1.00 0.00 C ATOM 819 CE2 PHE A 52 1.977 2.128 6.374 1.00 0.00 C ATOM 820 CZ PHE A 52 2.216 1.419 7.510 1.00 0.00 C ATOM 0 H PHE A 52 5.071 0.423 1.492 1.00 0.00 H new ATOM 0 HA PHE A 52 4.186 -1.409 3.659 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.626 0.524 4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.601 1.616 3.377 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.776 -0.488 6.392 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.571 2.458 4.312 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.396 -0.077 8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.191 2.868 6.355 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.620 1.597 8.393 1.00 0.00 H new ATOM 830 N PHE A 53 1.806 -1.173 3.213 1.00 0.00 N ATOM 831 CA PHE A 53 0.380 -1.092 2.950 1.00 0.00 C ATOM 832 C PHE A 53 -0.335 -0.289 4.039 1.00 0.00 C ATOM 833 O PHE A 53 -0.279 -0.646 5.215 1.00 0.00 O ATOM 834 CB PHE A 53 -0.158 -2.524 2.953 1.00 0.00 C ATOM 835 CG PHE A 53 0.191 -3.323 1.695 1.00 0.00 C ATOM 836 CD1 PHE A 53 1.488 -3.448 1.307 1.00 0.00 C ATOM 837 CD2 PHE A 53 -0.797 -3.907 0.965 1.00 0.00 C ATOM 838 CE1 PHE A 53 1.812 -4.189 0.140 1.00 0.00 C ATOM 839 CE2 PHE A 53 -0.474 -4.648 -0.202 1.00 0.00 C ATOM 840 CZ PHE A 53 0.824 -4.773 -0.590 1.00 0.00 C ATOM 0 H PHE A 53 2.095 -1.992 3.748 1.00 0.00 H new ATOM 0 HA PHE A 53 0.206 -0.594 1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.236 -3.047 3.824 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.242 -2.494 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.272 -2.984 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.827 -3.807 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.842 -4.289 -0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.258 -5.112 -0.782 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.070 -5.336 -1.478 1.00 0.00 H new ATOM 850 N PHE A 54 -0.989 0.779 3.609 1.00 0.00 N ATOM 851 CA PHE A 54 -1.713 1.635 4.534 1.00 0.00 C ATOM 852 C PHE A 54 -2.879 0.883 5.180 1.00 0.00 C ATOM 853 O PHE A 54 -3.302 -0.159 4.681 1.00 0.00 O ATOM 854 CB PHE A 54 -2.267 2.806 3.719 1.00 0.00 C ATOM 855 CG PHE A 54 -1.191 3.651 3.033 1.00 0.00 C ATOM 856 CD1 PHE A 54 -0.235 4.269 3.777 1.00 0.00 C ATOM 857 CD2 PHE A 54 -1.191 3.784 1.680 1.00 0.00 C ATOM 858 CE1 PHE A 54 0.763 5.053 3.141 1.00 0.00 C ATOM 859 CE2 PHE A 54 -0.193 4.568 1.043 1.00 0.00 C ATOM 860 CZ PHE A 54 0.763 5.186 1.787 1.00 0.00 C ATOM 0 H PHE A 54 -1.033 1.072 2.633 1.00 0.00 H new ATOM 0 HA PHE A 54 -1.047 1.970 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.948 2.418 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.854 3.447 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.235 4.163 4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.950 3.293 1.089 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.522 5.544 3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.193 4.673 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.522 5.782 1.303 1.00 0.00 H new ATOM 870 N GLY A 55 -3.363 1.439 6.280 1.00 0.00 N ATOM 871 CA GLY A 55 -4.471 0.834 6.999 1.00 0.00 C ATOM 872 C GLY A 55 -4.013 -0.408 7.766 1.00 0.00 C ATOM 873 O GLY A 55 -4.188 -0.492 8.981 1.00 0.00 O ATOM 0 H GLY A 55 -3.008 2.302 6.691 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.897 1.558 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.260 0.562 6.297 1.00 0.00 H new ATOM 877 N SER A 56 -3.436 -1.342 7.025 1.00 0.00 N ATOM 878 CA SER A 56 -2.952 -2.576 7.620 1.00 0.00 C ATOM 879 C SER A 56 -1.583 -2.345 8.264 1.00 0.00 C ATOM 880 O SER A 56 -1.321 -2.828 9.365 1.00 0.00 O ATOM 881 CB SER A 56 -2.866 -3.694 6.579 1.00 0.00 C ATOM 882 OG SER A 56 -1.762 -3.517 5.696 1.00 0.00 O ATOM 0 H SER A 56 -3.293 -1.269 6.018 1.00 0.00 H new ATOM 0 HA SER A 56 -3.661 -2.885 8.388 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.775 -4.655 7.086 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.790 -3.724 6.002 1.00 0.00 H new ATOM 0 HG SER A 56 -1.215 -4.330 5.690 1.00 0.00 H new ATOM 888 N HIS A 57 -0.746 -1.605 7.551 1.00 0.00 N ATOM 889 CA HIS A 57 0.588 -1.304 8.039 1.00 0.00 C ATOM 890 C HIS A 57 1.430 -2.582 8.054 1.00 0.00 C ATOM 891 O HIS A 57 1.837 -3.050 9.116 1.00 0.00 O ATOM 892 CB HIS A 57 0.525 -0.620 9.407 1.00 0.00 C ATOM 893 CG HIS A 57 -0.662 0.296 9.581 1.00 0.00 C ATOM 894 ND1 HIS A 57 -1.501 0.853 8.661 1.00 0.00 N flip ATOM 895 CD2 HIS A 57 -1.096 0.733 10.820 1.00 0.00 C flip ATOM 896 CE1 HIS A 57 -2.399 1.589 9.303 1.00 0.00 C flip ATOM 897 NE2 HIS A 57 -2.150 1.517 10.642 1.00 0.00 N flip ATOM 0 H HIS A 57 -0.967 -1.205 6.639 1.00 0.00 H new ATOM 0 HA HIS A 57 1.074 -0.598 7.366 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.498 -1.385 10.183 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.439 -0.046 9.557 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.651 0.479 11.771 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.196 2.153 8.841 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.681 1.984 11.377 1.00 0.00 H new ATOM 905 N ASP A 58 1.667 -3.110 6.862 1.00 0.00 N ATOM 906 CA ASP A 58 2.453 -4.324 6.724 1.00 0.00 C ATOM 907 C ASP A 58 3.364 -4.200 5.501 1.00 0.00 C ATOM 908 O ASP A 58 2.956 -3.666 4.470 1.00 0.00 O ATOM 909 CB ASP A 58 1.552 -5.543 6.521 1.00 0.00 C ATOM 910 CG ASP A 58 0.270 -5.546 7.357 1.00 0.00 C ATOM 911 OD1 ASP A 58 0.358 -5.128 8.531 1.00 0.00 O ATOM 912 OD2 ASP A 58 -0.768 -5.967 6.802 1.00 0.00 O ATOM 0 H ASP A 58 1.328 -2.719 5.983 1.00 0.00 H new ATOM 0 HA ASP A 58 3.036 -4.454 7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.281 -5.604 5.467 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.123 -6.441 6.756 1.00 0.00 H new ATOM 917 N TYR A 59 4.580 -4.703 5.655 1.00 0.00 N ATOM 918 CA TYR A 59 5.552 -4.656 4.576 1.00 0.00 C ATOM 919 C TYR A 59 5.565 -5.970 3.792 1.00 0.00 C ATOM 920 O TYR A 59 5.402 -7.043 4.370 1.00 0.00 O ATOM 921 CB TYR A 59 6.914 -4.461 5.244 1.00 0.00 C ATOM 922 CG TYR A 59 6.992 -3.232 6.152 1.00 0.00 C ATOM 923 CD1 TYR A 59 7.122 -1.974 5.601 1.00 0.00 C ATOM 924 CD2 TYR A 59 6.931 -3.382 7.523 1.00 0.00 C ATOM 925 CE1 TYR A 59 7.195 -0.817 6.456 1.00 0.00 C ATOM 926 CE2 TYR A 59 7.003 -2.226 8.378 1.00 0.00 C ATOM 927 CZ TYR A 59 7.132 -1.000 7.802 1.00 0.00 C ATOM 928 OH TYR A 59 7.201 0.092 8.609 1.00 0.00 O ATOM 0 H TYR A 59 4.914 -5.145 6.511 1.00 0.00 H new ATOM 0 HA TYR A 59 5.311 -3.855 3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.150 -5.349 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.678 -4.378 4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.169 -1.857 4.528 1.00 0.00 H new ATOM 0 HD2 TYR A 59 6.829 -4.367 7.954 1.00 0.00 H new ATOM 0 HE1 TYR A 59 7.297 0.173 6.038 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.956 -2.329 9.452 1.00 0.00 H new ATOM 0 HH TYR A 59 7.142 -0.189 9.546 1.00 0.00 H new ATOM 938 N TYR A 60 5.760 -5.842 2.488 1.00 0.00 N ATOM 939 CA TYR A 60 5.797 -7.006 1.619 1.00 0.00 C ATOM 940 C TYR A 60 6.718 -6.767 0.421 1.00 0.00 C ATOM 941 O TYR A 60 6.867 -5.634 -0.036 1.00 0.00 O ATOM 942 CB TYR A 60 4.365 -7.201 1.115 1.00 0.00 C ATOM 943 CG TYR A 60 3.355 -7.517 2.220 1.00 0.00 C ATOM 944 CD1 TYR A 60 3.518 -8.642 3.003 1.00 0.00 C ATOM 945 CD2 TYR A 60 2.280 -6.678 2.433 1.00 0.00 C ATOM 946 CE1 TYR A 60 2.567 -8.939 4.043 1.00 0.00 C ATOM 947 CE2 TYR A 60 1.329 -6.975 3.472 1.00 0.00 C ATOM 948 CZ TYR A 60 1.519 -8.091 4.226 1.00 0.00 C ATOM 949 OH TYR A 60 0.621 -8.372 5.208 1.00 0.00 O ATOM 0 H TYR A 60 5.894 -4.950 2.012 1.00 0.00 H new ATOM 0 HA TYR A 60 6.173 -7.876 2.158 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.048 -6.298 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.355 -8.010 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.358 -9.299 2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.152 -5.798 1.820 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.683 -9.815 4.664 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.484 -6.326 3.649 1.00 0.00 H new ATOM 0 HH TYR A 60 0.139 -7.555 5.454 1.00 0.00 H new ATOM 959 N TRP A 61 7.311 -7.852 -0.055 1.00 0.00 N ATOM 960 CA TRP A 61 8.214 -7.774 -1.191 1.00 0.00 C ATOM 961 C TRP A 61 7.436 -8.191 -2.441 1.00 0.00 C ATOM 962 O TRP A 61 7.189 -9.376 -2.657 1.00 0.00 O ATOM 963 CB TRP A 61 9.465 -8.622 -0.955 1.00 0.00 C ATOM 964 CG TRP A 61 10.371 -8.098 0.161 1.00 0.00 C ATOM 965 CD1 TRP A 61 10.346 -8.417 1.462 1.00 0.00 C ATOM 966 CD2 TRP A 61 11.444 -7.143 0.020 1.00 0.00 C ATOM 967 NE1 TRP A 61 11.320 -7.740 2.167 1.00 0.00 N ATOM 968 CE2 TRP A 61 12.009 -6.941 1.263 1.00 0.00 C ATOM 969 CE3 TRP A 61 11.922 -6.472 -1.120 1.00 0.00 C ATOM 970 CZ2 TRP A 61 13.082 -6.069 1.485 1.00 0.00 C ATOM 971 CZ3 TRP A 61 12.994 -5.605 -0.881 1.00 0.00 C ATOM 972 CH2 TRP A 61 13.574 -5.390 0.364 1.00 0.00 C ATOM 0 H TRP A 61 7.184 -8.790 0.325 1.00 0.00 H new ATOM 0 HA TRP A 61 8.575 -6.755 -1.329 1.00 0.00 H new ATOM 0 HB2 TRP A 61 9.161 -9.640 -0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.038 -8.671 -1.881 1.00 0.00 H new ATOM 0 HD1 TRP A 61 9.651 -9.116 1.903 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.501 -7.813 3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 61 11.495 -6.615 -2.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.507 -5.928 2.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.400 -5.065 -1.723 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.400 -4.702 0.466 1.00 0.00 H new ATOM 983 N VAL A 62 7.072 -7.192 -3.232 1.00 0.00 N ATOM 984 CA VAL A 62 6.328 -7.440 -4.455 1.00 0.00 C ATOM 985 C VAL A 62 7.075 -6.818 -5.637 1.00 0.00 C ATOM 986 O VAL A 62 7.563 -5.692 -5.544 1.00 0.00 O ATOM 987 CB VAL A 62 4.897 -6.918 -4.312 1.00 0.00 C ATOM 988 CG1 VAL A 62 4.090 -7.790 -3.348 1.00 0.00 C ATOM 989 CG2 VAL A 62 4.889 -5.455 -3.865 1.00 0.00 C ATOM 0 H VAL A 62 7.278 -6.210 -3.050 1.00 0.00 H new ATOM 0 HA VAL A 62 6.252 -8.511 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 62 4.421 -6.971 -5.291 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.077 -7.398 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.053 -8.812 -3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 62 4.564 -7.783 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.860 -5.109 -3.771 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.391 -5.366 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.411 -4.846 -4.603 1.00 0.00 H new ATOM 999 N HIS A 63 7.141 -7.577 -6.720 1.00 0.00 N ATOM 1000 CA HIS A 63 7.821 -7.115 -7.918 1.00 0.00 C ATOM 1001 C HIS A 63 7.271 -5.746 -8.324 1.00 0.00 C ATOM 1002 O HIS A 63 6.446 -5.170 -7.616 1.00 0.00 O ATOM 1003 CB HIS A 63 7.714 -8.152 -9.038 1.00 0.00 C ATOM 1004 CG HIS A 63 6.314 -8.670 -9.264 1.00 0.00 C ATOM 1005 ND1 HIS A 63 6.035 -9.737 -10.101 1.00 0.00 N ATOM 1006 CD2 HIS A 63 5.118 -8.258 -8.754 1.00 0.00 C ATOM 1007 CE1 HIS A 63 4.727 -9.948 -10.088 1.00 0.00 C ATOM 1008 NE2 HIS A 63 4.161 -9.030 -9.254 1.00 0.00 N ATOM 0 H HIS A 63 6.735 -8.510 -6.793 1.00 0.00 H new ATOM 0 HA HIS A 63 8.885 -6.995 -7.713 1.00 0.00 H new ATOM 0 HB2 HIS A 63 8.081 -7.710 -9.964 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.368 -8.992 -8.805 1.00 0.00 H new ATOM 0 HD1 HIS A 63 6.720 -10.270 -10.637 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.974 -7.442 -8.061 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.202 -10.713 -10.641 1.00 0.00 H new ATOM 1016 N GLN A 64 7.750 -5.265 -9.462 1.00 0.00 N ATOM 1017 CA GLN A 64 7.317 -3.974 -9.970 1.00 0.00 C ATOM 1018 C GLN A 64 6.466 -4.158 -11.228 1.00 0.00 C ATOM 1019 O GLN A 64 6.562 -5.183 -11.902 1.00 0.00 O ATOM 1020 CB GLN A 64 8.515 -3.064 -10.247 1.00 0.00 C ATOM 1021 CG GLN A 64 9.120 -3.356 -11.621 1.00 0.00 C ATOM 1022 CD GLN A 64 10.546 -2.811 -11.720 1.00 0.00 C ATOM 1023 OE1 GLN A 64 10.806 -1.637 -11.513 1.00 0.00 O ATOM 1024 NE2 GLN A 64 11.454 -3.727 -12.047 1.00 0.00 N ATOM 0 H GLN A 64 8.434 -5.746 -10.047 1.00 0.00 H new ATOM 0 HA GLN A 64 6.705 -3.492 -9.208 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.203 -2.021 -10.198 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.271 -3.207 -9.475 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.125 -4.431 -11.799 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.501 -2.907 -12.398 1.00 0.00 H new ATOM 0 HE21 GLN A 64 11.169 -4.693 -12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.435 -3.463 -12.138 1.00 0.00 H new ATOM 1033 N GLY A 65 5.654 -3.149 -11.507 1.00 0.00 N ATOM 1034 CA GLY A 65 4.786 -3.187 -12.672 1.00 0.00 C ATOM 1035 C GLY A 65 3.353 -3.548 -12.277 1.00 0.00 C ATOM 1036 O GLY A 65 2.428 -3.391 -13.073 1.00 0.00 O ATOM 0 H GLY A 65 5.579 -2.300 -10.947 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.796 -2.217 -13.169 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.164 -3.917 -13.388 1.00 0.00 H new ATOM 1040 N ARG A 66 3.213 -4.024 -11.049 1.00 0.00 N ATOM 1041 CA ARG A 66 1.908 -4.408 -10.539 1.00 0.00 C ATOM 1042 C ARG A 66 1.280 -3.250 -9.762 1.00 0.00 C ATOM 1043 O ARG A 66 0.092 -3.284 -9.443 1.00 0.00 O ATOM 1044 CB ARG A 66 2.012 -5.630 -9.624 1.00 0.00 C ATOM 1045 CG ARG A 66 2.158 -6.916 -10.440 1.00 0.00 C ATOM 1046 CD ARG A 66 1.200 -7.997 -9.936 1.00 0.00 C ATOM 1047 NE ARG A 66 1.150 -9.119 -10.900 1.00 0.00 N ATOM 1048 CZ ARG A 66 0.372 -10.200 -10.755 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -0.427 -10.312 -9.685 1.00 0.00 N ATOM 1050 NH2 ARG A 66 0.392 -11.169 -11.680 1.00 0.00 N ATOM 0 H ARG A 66 3.982 -4.153 -10.392 1.00 0.00 H new ATOM 0 HA ARG A 66 1.279 -4.660 -11.393 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.868 -5.518 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.125 -5.694 -8.994 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.957 -6.709 -11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.185 -7.277 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.527 -8.359 -8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.203 -7.577 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 66 1.745 -9.066 -11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.443 -9.574 -8.981 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.019 -11.135 -9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.000 -11.084 -12.495 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.200 -11.992 -11.569 1.00 0.00 H new ATOM 1064 N VAL A 67 2.104 -2.252 -9.480 1.00 0.00 N ATOM 1065 CA VAL A 67 1.644 -1.085 -8.746 1.00 0.00 C ATOM 1066 C VAL A 67 1.387 0.060 -9.727 1.00 0.00 C ATOM 1067 O VAL A 67 2.039 0.150 -10.766 1.00 0.00 O ATOM 1068 CB VAL A 67 2.653 -0.722 -7.654 1.00 0.00 C ATOM 1069 CG1 VAL A 67 3.273 -1.979 -7.041 1.00 0.00 C ATOM 1070 CG2 VAL A 67 3.734 0.215 -8.196 1.00 0.00 C ATOM 0 H VAL A 67 3.088 -2.227 -9.747 1.00 0.00 H new ATOM 0 HA VAL A 67 0.702 -1.298 -8.241 1.00 0.00 H new ATOM 0 HB VAL A 67 2.118 -0.194 -6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.986 -1.693 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.488 -2.594 -6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.787 -2.547 -7.817 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.438 0.457 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.264 -0.275 -9.013 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.271 1.131 -8.562 1.00 0.00 H new ATOM 1080 N PHE A 68 0.435 0.907 -9.363 1.00 0.00 N ATOM 1081 CA PHE A 68 0.084 2.042 -10.198 1.00 0.00 C ATOM 1082 C PHE A 68 0.431 3.361 -9.504 1.00 0.00 C ATOM 1083 O PHE A 68 0.448 3.435 -8.277 1.00 0.00 O ATOM 1084 CB PHE A 68 -1.428 1.981 -10.424 1.00 0.00 C ATOM 1085 CG PHE A 68 -1.847 1.086 -11.592 1.00 0.00 C ATOM 1086 CD1 PHE A 68 -1.341 -0.172 -11.700 1.00 0.00 C ATOM 1087 CD2 PHE A 68 -2.725 1.547 -12.521 1.00 0.00 C ATOM 1088 CE1 PHE A 68 -1.730 -1.003 -12.784 1.00 0.00 C ATOM 1089 CE2 PHE A 68 -3.114 0.716 -13.605 1.00 0.00 C ATOM 1090 CZ PHE A 68 -2.608 -0.541 -13.713 1.00 0.00 C ATOM 0 H PHE A 68 -0.104 0.829 -8.501 1.00 0.00 H new ATOM 0 HA PHE A 68 0.638 1.999 -11.136 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.907 1.621 -9.514 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.800 2.990 -10.602 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.644 -0.539 -10.962 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.127 2.546 -12.435 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.328 -2.002 -12.870 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.812 1.083 -14.343 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.904 -1.173 -14.537 1.00 0.00 H new ATOM 1100 N PRO A 69 0.707 4.396 -10.342 1.00 0.00 N ATOM 1101 CA PRO A 69 1.052 5.708 -9.823 1.00 0.00 C ATOM 1102 C PRO A 69 -0.186 6.429 -9.284 1.00 0.00 C ATOM 1103 O PRO A 69 -1.163 6.616 -10.008 1.00 0.00 O ATOM 1104 CB PRO A 69 1.702 6.435 -10.989 1.00 0.00 C ATOM 1105 CG PRO A 69 1.279 5.679 -12.238 1.00 0.00 C ATOM 1106 CD PRO A 69 0.697 4.345 -11.801 1.00 0.00 C ATOM 0 HA PRO A 69 1.733 5.657 -8.973 1.00 0.00 H new ATOM 0 HB2 PRO A 69 1.376 7.474 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 69 2.787 6.445 -10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.541 6.252 -12.799 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.132 5.525 -12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.314 4.209 -12.185 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.294 3.512 -12.172 1.00 0.00 H new ATOM 1114 N TYR A 70 -0.105 6.812 -8.019 1.00 0.00 N ATOM 1115 CA TYR A 70 -1.206 7.507 -7.375 1.00 0.00 C ATOM 1116 C TYR A 70 -1.235 8.983 -7.780 1.00 0.00 C ATOM 1117 O TYR A 70 -0.214 9.666 -7.721 1.00 0.00 O ATOM 1118 CB TYR A 70 -0.946 7.409 -5.871 1.00 0.00 C ATOM 1119 CG TYR A 70 -2.056 8.011 -5.007 1.00 0.00 C ATOM 1120 CD1 TYR A 70 -2.063 9.364 -4.737 1.00 0.00 C ATOM 1121 CD2 TYR A 70 -3.049 7.200 -4.497 1.00 0.00 C ATOM 1122 CE1 TYR A 70 -3.108 9.930 -3.924 1.00 0.00 C ATOM 1123 CE2 TYR A 70 -4.094 7.766 -3.683 1.00 0.00 C ATOM 1124 CZ TYR A 70 -4.072 9.103 -3.437 1.00 0.00 C ATOM 1125 OH TYR A 70 -5.058 9.638 -2.668 1.00 0.00 O ATOM 0 H TYR A 70 0.707 6.654 -7.422 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.159 7.065 -7.664 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.819 6.360 -5.602 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.007 7.913 -5.641 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.285 9.998 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.043 6.141 -4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.126 10.988 -3.706 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.877 7.143 -3.277 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.677 8.931 -2.391 1.00 0.00 H new ATOM 1135 N VAL A 71 -2.415 9.430 -8.183 1.00 0.00 N ATOM 1136 CA VAL A 71 -2.590 10.811 -8.598 1.00 0.00 C ATOM 1137 C VAL A 71 -3.320 11.582 -7.496 1.00 0.00 C ATOM 1138 O VAL A 71 -4.012 10.986 -6.671 1.00 0.00 O ATOM 1139 CB VAL A 71 -3.314 10.866 -9.945 1.00 0.00 C ATOM 1140 CG1 VAL A 71 -3.296 12.283 -10.521 1.00 0.00 C ATOM 1141 CG2 VAL A 71 -2.711 9.865 -10.933 1.00 0.00 C ATOM 0 H VAL A 71 -3.259 8.860 -8.231 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.622 11.290 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.354 10.586 -9.777 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.817 12.293 -11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.793 12.963 -9.830 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.264 12.604 -10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.244 9.925 -11.882 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.659 10.100 -11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.801 8.856 -10.529 1.00 0.00 H new ATOM 1151 N GLU A 72 -3.141 12.894 -7.517 1.00 0.00 N ATOM 1152 CA GLU A 72 -3.773 13.752 -6.530 1.00 0.00 C ATOM 1153 C GLU A 72 -4.868 14.597 -7.184 1.00 0.00 C ATOM 1154 O GLU A 72 -4.577 15.601 -7.832 1.00 0.00 O ATOM 1155 CB GLU A 72 -2.741 14.638 -5.831 1.00 0.00 C ATOM 1156 CG GLU A 72 -3.139 14.904 -4.378 1.00 0.00 C ATOM 1157 CD GLU A 72 -4.017 16.153 -4.270 1.00 0.00 C ATOM 1158 OE1 GLU A 72 -3.688 17.139 -4.963 1.00 0.00 O ATOM 1159 OE2 GLU A 72 -4.996 16.092 -3.496 1.00 0.00 O ATOM 0 H GLU A 72 -2.567 13.384 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.234 13.120 -5.771 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.763 14.157 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.648 15.584 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.676 14.042 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.244 15.031 -3.769 1.00 0.00 H new ATOM 1367 N THR A 87 -11.362 0.058 6.945 1.00 0.00 N ATOM 1368 CA THR A 87 -9.921 0.234 6.891 1.00 0.00 C ATOM 1369 C THR A 87 -9.518 0.933 5.591 1.00 0.00 C ATOM 1370 O THR A 87 -8.622 1.776 5.588 1.00 0.00 O ATOM 1371 CB THR A 87 -9.270 -1.139 7.070 1.00 0.00 C ATOM 1372 OG1 THR A 87 -9.561 -1.489 8.420 1.00 0.00 O ATOM 1373 CG2 THR A 87 -7.742 -1.074 7.022 1.00 0.00 C ATOM 0 HA THR A 87 -9.571 0.883 7.694 1.00 0.00 H new ATOM 0 HB THR A 87 -9.629 -1.814 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 87 -10.493 -1.263 8.623 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.331 -2.075 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.425 -0.676 6.058 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.380 -0.425 7.820 1.00 0.00 H new ATOM 1381 N PHE A 88 -10.199 0.557 4.519 1.00 0.00 N ATOM 1382 CA PHE A 88 -9.923 1.137 3.215 1.00 0.00 C ATOM 1383 C PHE A 88 -9.872 2.664 3.295 1.00 0.00 C ATOM 1384 O PHE A 88 -8.854 3.273 2.969 1.00 0.00 O ATOM 1385 CB PHE A 88 -11.069 0.724 2.290 1.00 0.00 C ATOM 1386 CG PHE A 88 -10.793 0.978 0.807 1.00 0.00 C ATOM 1387 CD1 PHE A 88 -9.736 0.376 0.199 1.00 0.00 C ATOM 1388 CD2 PHE A 88 -11.606 1.805 0.096 1.00 0.00 C ATOM 1389 CE1 PHE A 88 -9.480 0.612 -1.178 1.00 0.00 C ATOM 1390 CE2 PHE A 88 -11.350 2.040 -1.281 1.00 0.00 C ATOM 1391 CZ PHE A 88 -10.292 1.439 -1.889 1.00 0.00 C ATOM 0 H PHE A 88 -10.942 -0.142 4.526 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.958 0.787 2.848 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.275 -0.337 2.434 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.969 1.266 2.580 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.091 -0.282 0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -12.446 2.283 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.640 0.134 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.996 2.696 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.097 1.619 -2.936 1.00 0.00 H new ATOM 1401 N LYS A 89 -10.983 3.240 3.730 1.00 0.00 N ATOM 1402 CA LYS A 89 -11.078 4.684 3.857 1.00 0.00 C ATOM 1403 C LYS A 89 -9.913 5.195 4.707 1.00 0.00 C ATOM 1404 O LYS A 89 -9.329 6.234 4.405 1.00 0.00 O ATOM 1405 CB LYS A 89 -12.453 5.085 4.394 1.00 0.00 C ATOM 1406 CG LYS A 89 -13.190 5.983 3.398 1.00 0.00 C ATOM 1407 CD LYS A 89 -12.858 7.457 3.638 1.00 0.00 C ATOM 1408 CE LYS A 89 -14.127 8.268 3.908 1.00 0.00 C ATOM 1409 NZ LYS A 89 -14.022 9.613 3.300 1.00 0.00 N ATOM 0 H LYS A 89 -11.826 2.732 3.999 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.992 5.159 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.045 4.191 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.338 5.607 5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.915 5.706 2.380 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.265 5.829 3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.178 7.547 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.341 7.863 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.993 7.745 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.285 8.360 4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.892 10.150 3.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.207 10.115 3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.893 9.520 2.272 1.00 0.00 H new ATOM 1423 N LYS A 90 -9.609 4.440 5.753 1.00 0.00 N ATOM 1424 CA LYS A 90 -8.524 4.804 6.648 1.00 0.00 C ATOM 1425 C LYS A 90 -7.199 4.752 5.885 1.00 0.00 C ATOM 1426 O LYS A 90 -6.323 5.589 6.097 1.00 0.00 O ATOM 1427 CB LYS A 90 -8.547 3.926 7.901 1.00 0.00 C ATOM 1428 CG LYS A 90 -7.363 4.246 8.816 1.00 0.00 C ATOM 1429 CD LYS A 90 -7.735 4.040 10.286 1.00 0.00 C ATOM 1430 CE LYS A 90 -7.049 2.796 10.856 1.00 0.00 C ATOM 1431 NZ LYS A 90 -7.732 2.348 12.090 1.00 0.00 N ATOM 0 H LYS A 90 -10.095 3.578 6.000 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.648 5.828 7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.481 4.081 8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.516 2.875 7.614 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.517 3.609 8.558 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.045 5.277 8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.445 4.917 10.865 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.816 3.939 10.381 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.060 1.996 10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -6.003 3.016 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -7.254 1.503 12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.699 3.107 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.723 2.118 11.874 1.00 0.00 H new ATOM 1445 N ALA A 91 -7.095 3.760 5.012 1.00 0.00 N ATOM 1446 CA ALA A 91 -5.892 3.588 4.215 1.00 0.00 C ATOM 1447 C ALA A 91 -5.813 4.703 3.171 1.00 0.00 C ATOM 1448 O ALA A 91 -4.729 5.196 2.864 1.00 0.00 O ATOM 1449 CB ALA A 91 -5.893 2.195 3.583 1.00 0.00 C ATOM 0 H ALA A 91 -7.824 3.068 4.839 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.003 3.660 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.991 2.066 2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.919 1.439 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.770 2.086 2.945 1.00 0.00 H new ATOM 1455 N LEU A 92 -6.977 5.068 2.652 1.00 0.00 N ATOM 1456 CA LEU A 92 -7.053 6.115 1.648 1.00 0.00 C ATOM 1457 C LEU A 92 -6.516 7.421 2.238 1.00 0.00 C ATOM 1458 O LEU A 92 -5.666 8.075 1.636 1.00 0.00 O ATOM 1459 CB LEU A 92 -8.477 6.228 1.099 1.00 0.00 C ATOM 1460 CG LEU A 92 -8.974 5.038 0.276 1.00 0.00 C ATOM 1461 CD1 LEU A 92 -10.502 5.018 0.209 1.00 0.00 C ATOM 1462 CD2 LEU A 92 -8.339 5.030 -1.116 1.00 0.00 C ATOM 0 H LEU A 92 -7.875 4.657 2.908 1.00 0.00 H new ATOM 0 HA LEU A 92 -6.424 5.869 0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.158 6.374 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -8.537 7.123 0.480 1.00 0.00 H new ATOM 0 HG LEU A 92 -8.662 4.122 0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -10.829 4.162 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -10.909 4.940 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -10.858 5.937 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.709 4.174 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.599 5.950 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -7.255 4.961 -1.021 1.00 0.00 H new ATOM 1474 N GLU A 93 -7.036 7.762 3.408 1.00 0.00 N ATOM 1475 CA GLU A 93 -6.620 8.979 4.085 1.00 0.00 C ATOM 1476 C GLU A 93 -5.107 8.966 4.317 1.00 0.00 C ATOM 1477 O GLU A 93 -4.399 9.865 3.865 1.00 0.00 O ATOM 1478 CB GLU A 93 -7.375 9.158 5.404 1.00 0.00 C ATOM 1479 CG GLU A 93 -8.882 9.260 5.163 1.00 0.00 C ATOM 1480 CD GLU A 93 -9.539 10.192 6.184 1.00 0.00 C ATOM 1481 OE1 GLU A 93 -9.037 11.329 6.319 1.00 0.00 O ATOM 1482 OE2 GLU A 93 -10.527 9.746 6.805 1.00 0.00 O ATOM 0 H GLU A 93 -7.741 7.217 3.904 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.863 9.828 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.165 8.317 6.065 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.022 10.057 5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.068 9.630 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.332 8.269 5.227 1.00 0.00 H new ATOM 1489 N GLU A 94 -4.657 7.937 5.021 1.00 0.00 N ATOM 1490 CA GLU A 94 -3.242 7.796 5.318 1.00 0.00 C ATOM 1491 C GLU A 94 -2.412 7.979 4.046 1.00 0.00 C ATOM 1492 O GLU A 94 -1.517 8.822 3.999 1.00 0.00 O ATOM 1493 CB GLU A 94 -2.951 6.444 5.972 1.00 0.00 C ATOM 1494 CG GLU A 94 -3.004 6.551 7.498 1.00 0.00 C ATOM 1495 CD GLU A 94 -1.833 5.805 8.140 1.00 0.00 C ATOM 1496 OE1 GLU A 94 -1.865 4.556 8.101 1.00 0.00 O ATOM 1497 OE2 GLU A 94 -0.931 6.500 8.656 1.00 0.00 O ATOM 0 H GLU A 94 -5.247 7.194 5.394 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.961 8.574 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.677 5.707 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.968 6.090 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.978 7.600 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.946 6.140 7.863 1.00 0.00 H new ATOM 1504 N ALA A 95 -2.737 7.175 3.044 1.00 0.00 N ATOM 1505 CA ALA A 95 -2.033 7.237 1.775 1.00 0.00 C ATOM 1506 C ALA A 95 -1.864 8.700 1.361 1.00 0.00 C ATOM 1507 O ALA A 95 -0.793 9.103 0.912 1.00 0.00 O ATOM 1508 CB ALA A 95 -2.792 6.419 0.728 1.00 0.00 C ATOM 0 H ALA A 95 -3.479 6.477 3.086 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.037 6.803 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.263 6.466 -0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.859 5.381 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.796 6.826 0.606 1.00 0.00 H new ATOM 1514 N ALA A 96 -2.940 9.457 1.528 1.00 0.00 N ATOM 1515 CA ALA A 96 -2.924 10.867 1.177 1.00 0.00 C ATOM 1516 C ALA A 96 -1.798 11.565 1.941 1.00 0.00 C ATOM 1517 O ALA A 96 -0.879 12.114 1.334 1.00 0.00 O ATOM 1518 CB ALA A 96 -4.295 11.480 1.470 1.00 0.00 C ATOM 0 H ALA A 96 -3.827 9.120 1.901 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.729 10.996 0.112 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.284 12.538 1.207 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.056 10.968 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.523 11.372 2.530 1.00 0.00 H new ATOM 1524 N LYS A 97 -1.905 11.522 3.261 1.00 0.00 N ATOM 1525 CA LYS A 97 -0.907 12.145 4.114 1.00 0.00 C ATOM 1526 C LYS A 97 0.481 11.929 3.507 1.00 0.00 C ATOM 1527 O LYS A 97 1.109 12.875 3.033 1.00 0.00 O ATOM 1528 CB LYS A 97 -1.037 11.635 5.550 1.00 0.00 C ATOM 1529 CG LYS A 97 -1.217 12.796 6.530 1.00 0.00 C ATOM 1530 CD LYS A 97 -2.645 12.836 7.076 1.00 0.00 C ATOM 1531 CE LYS A 97 -2.731 13.717 8.324 1.00 0.00 C ATOM 1532 NZ LYS A 97 -4.114 13.737 8.850 1.00 0.00 N ATOM 0 H LYS A 97 -2.668 11.065 3.761 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.068 13.222 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.888 10.957 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.149 11.062 5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.511 12.693 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.988 13.737 6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.320 13.217 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.974 11.825 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.050 13.342 9.088 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.413 14.731 8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.155 14.339 9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.756 14.116 8.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.405 12.770 9.099 1.00 0.00 H new ATOM 1546 N ARG A 98 0.920 10.679 3.543 1.00 0.00 N ATOM 1547 CA ARG A 98 2.222 10.328 3.003 1.00 0.00 C ATOM 1548 C ARG A 98 2.485 11.098 1.707 1.00 0.00 C ATOM 1549 O ARG A 98 3.430 11.882 1.627 1.00 0.00 O ATOM 1550 CB ARG A 98 2.315 8.826 2.723 1.00 0.00 C ATOM 1551 CG ARG A 98 2.634 8.049 4.002 1.00 0.00 C ATOM 1552 CD ARG A 98 1.414 7.982 4.922 1.00 0.00 C ATOM 1553 NE ARG A 98 1.440 6.728 5.707 1.00 0.00 N ATOM 1554 CZ ARG A 98 2.324 6.470 6.681 1.00 0.00 C ATOM 1555 NH1 ARG A 98 3.258 7.378 6.995 1.00 0.00 N ATOM 1556 NH2 ARG A 98 2.273 5.305 7.341 1.00 0.00 N ATOM 0 H ARG A 98 0.397 9.897 3.938 1.00 0.00 H new ATOM 0 HA ARG A 98 2.972 10.595 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.374 8.472 2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 98 3.087 8.639 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.958 7.040 3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.462 8.527 4.525 1.00 0.00 H new ATOM 0 HD2 ARG A 98 1.407 8.841 5.593 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.499 8.032 4.331 1.00 0.00 H new ATOM 0 HE ARG A 98 0.742 6.016 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 98 3.296 8.265 6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 98 3.931 7.182 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 98 1.561 4.614 7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 98 2.946 5.109 8.082 1.00 0.00 H new ATOM 1570 N PHE A 99 1.632 10.848 0.724 1.00 0.00 N ATOM 1571 CA PHE A 99 1.761 11.508 -0.564 1.00 0.00 C ATOM 1572 C PHE A 99 1.970 13.014 -0.390 1.00 0.00 C ATOM 1573 O PHE A 99 2.691 13.638 -1.167 1.00 0.00 O ATOM 1574 CB PHE A 99 0.453 11.271 -1.321 1.00 0.00 C ATOM 1575 CG PHE A 99 0.443 11.841 -2.741 1.00 0.00 C ATOM 1576 CD1 PHE A 99 0.905 11.092 -3.777 1.00 0.00 C ATOM 1577 CD2 PHE A 99 -0.029 13.096 -2.966 1.00 0.00 C ATOM 1578 CE1 PHE A 99 0.896 11.621 -5.095 1.00 0.00 C ATOM 1579 CE2 PHE A 99 -0.038 13.625 -4.284 1.00 0.00 C ATOM 1580 CZ PHE A 99 0.425 12.876 -5.320 1.00 0.00 C ATOM 0 H PHE A 99 0.849 10.198 0.794 1.00 0.00 H new ATOM 0 HA PHE A 99 2.621 11.109 -1.102 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.263 10.199 -1.370 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.367 11.715 -0.757 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.279 10.095 -3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.397 13.690 -2.143 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.263 11.026 -5.918 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.413 14.622 -4.463 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.419 13.278 -6.322 1.00 0.00 H new ATOM 1590 N GLN A 100 1.325 13.553 0.634 1.00 0.00 N ATOM 1591 CA GLN A 100 1.431 14.974 0.920 1.00 0.00 C ATOM 1592 C GLN A 100 2.738 15.271 1.659 1.00 0.00 C ATOM 1593 O GLN A 100 3.288 16.364 1.540 1.00 0.00 O ATOM 1594 CB GLN A 100 0.224 15.463 1.723 1.00 0.00 C ATOM 1595 CG GLN A 100 -1.079 14.905 1.148 1.00 0.00 C ATOM 1596 CD GLN A 100 -1.993 16.033 0.665 1.00 0.00 C ATOM 1597 OE1 GLN A 100 -2.297 16.160 -0.510 1.00 0.00 O ATOM 1598 NE2 GLN A 100 -2.413 16.842 1.633 1.00 0.00 N ATOM 0 H GLN A 100 0.727 13.032 1.276 1.00 0.00 H new ATOM 0 HA GLN A 100 1.440 15.515 -0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 100 0.327 15.157 2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 100 0.193 16.553 1.713 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.856 14.233 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.593 14.316 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.121 16.679 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.028 17.625 1.412 1.00 0.00 H new ATOM 1607 N GLU A 101 3.197 14.277 2.406 1.00 0.00 N ATOM 1608 CA GLU A 101 4.428 14.418 3.165 1.00 0.00 C ATOM 1609 C GLU A 101 5.639 14.283 2.240 1.00 0.00 C ATOM 1610 O GLU A 101 6.505 15.156 2.212 1.00 0.00 O ATOM 1611 CB GLU A 101 4.491 13.398 4.303 1.00 0.00 C ATOM 1612 CG GLU A 101 3.130 13.255 4.987 1.00 0.00 C ATOM 1613 CD GLU A 101 3.292 13.057 6.495 1.00 0.00 C ATOM 1614 OE1 GLU A 101 3.864 13.970 7.129 1.00 0.00 O ATOM 1615 OE2 GLU A 101 2.840 11.997 6.980 1.00 0.00 O ATOM 0 H GLU A 101 2.738 13.371 2.502 1.00 0.00 H new ATOM 0 HA GLU A 101 4.445 15.412 3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 101 4.809 12.431 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.238 13.708 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 101 2.528 14.143 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.592 12.408 4.561 1.00 0.00 H new ATOM 1622 N LEU A 102 5.662 13.181 1.505 1.00 0.00 N ATOM 1623 CA LEU A 102 6.753 12.919 0.581 1.00 0.00 C ATOM 1624 C LEU A 102 6.997 14.162 -0.278 1.00 0.00 C ATOM 1625 O LEU A 102 8.110 14.683 -0.320 1.00 0.00 O ATOM 1626 CB LEU A 102 6.475 11.654 -0.233 1.00 0.00 C ATOM 1627 CG LEU A 102 6.380 10.351 0.564 1.00 0.00 C ATOM 1628 CD1 LEU A 102 7.085 10.483 1.916 1.00 0.00 C ATOM 1629 CD2 LEU A 102 4.924 9.907 0.718 1.00 0.00 C ATOM 0 H LEU A 102 4.942 12.459 1.530 1.00 0.00 H new ATOM 0 HA LEU A 102 7.675 12.722 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.540 11.793 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.263 11.545 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 102 6.897 9.571 0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.003 9.543 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 102 8.137 10.719 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.618 11.281 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.885 8.979 1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.362 10.679 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.486 9.746 -0.267 1.00 0.00 H new ATOM 1641 N LYS A 103 5.937 14.600 -0.942 1.00 0.00 N ATOM 1642 CA LYS A 103 6.022 15.771 -1.797 1.00 0.00 C ATOM 1643 C LYS A 103 6.459 16.977 -0.963 1.00 0.00 C ATOM 1644 O LYS A 103 7.136 17.872 -1.466 1.00 0.00 O ATOM 1645 CB LYS A 103 4.704 15.986 -2.545 1.00 0.00 C ATOM 1646 CG LYS A 103 3.575 16.337 -1.574 1.00 0.00 C ATOM 1647 CD LYS A 103 2.219 16.325 -2.283 1.00 0.00 C ATOM 1648 CE LYS A 103 1.319 17.448 -1.765 1.00 0.00 C ATOM 1649 NZ LYS A 103 1.798 18.761 -2.250 1.00 0.00 N ATOM 0 H LYS A 103 5.015 14.165 -0.905 1.00 0.00 H new ATOM 0 HA LYS A 103 6.779 15.625 -2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 103 4.822 16.786 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 103 4.445 15.084 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 103 3.565 15.624 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 103 3.755 17.321 -1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.365 16.438 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 103 1.732 15.363 -2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.294 17.283 -2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.307 17.439 -0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.026 19.456 -2.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.596 19.078 -1.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.109 18.674 -3.239 1.00 0.00 H new