USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 755 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 54 TYR OH : rot 1:sc= 0.229 USER MOD Set 1.2: A 91 ASN : amide:sc= 0.828 K(o=1.1,f=-0.16) USER MOD Set 2.1: A 85 THR OG1 : rot 129:sc= 0.588 USER MOD Set 2.2: A 106 HIS : no HE2:sc= 0.411 K(o=1,f=0.43) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0.978 K(o=0.98,f=-0.7) USER MOD Single : A 39 ASN : amide:sc= -4.5! C(o=-4.5!,f=-12!) USER MOD Single : A 43 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot -53:sc= 0.657 USER MOD Single : A 52 SER OG : rot 67:sc= -0.716! USER MOD Single : A 63 SER OG : rot 179:sc= 1.22 USER MOD Single : A 72 GLN : amide:sc= -0.147 K(o=-0.15,f=-3!) USER MOD Single : A 76 TYR OH : rot 6:sc=-0.00727 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -35:sc= 0.425! USER MOD Single : A 82 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.82) USER MOD Single : A 84 SER OG : rot -28:sc= -2.5 USER MOD Single : A 93 ASN : amide:sc= -0.44 K(o=-0.44,f=-3.5) USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.873) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : B 227 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 244 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.514) USER MOD Single : B 248 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.123) USER MOD Single : B 249 GLN : amide:sc= -4.2! C(o=-4.2!,f=-2.6!) USER MOD Single : B 250 ASN : amide:sc= 1.19 K(o=1.2,f=-0.19) USER MOD Single : B 253 ASN : amide:sc= -0.0595 K(o=-0.059,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.531 8.899 4.923 1.00 0.00 N ATOM 102 CA ALA A 31 3.291 8.446 3.566 1.00 0.00 C ATOM 103 C ALA A 31 3.097 6.947 3.537 1.00 0.00 C ATOM 104 O ALA A 31 2.836 6.374 2.487 1.00 0.00 O ATOM 105 CB ALA A 31 4.452 8.835 2.655 1.00 0.00 C ATOM 0 HA ALA A 31 2.384 8.929 3.203 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.252 8.486 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.563 9.919 2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.371 8.378 3.022 1.00 0.00 H new ATOM 111 N TYR A 32 3.206 6.321 4.691 1.00 0.00 N ATOM 112 CA TYR A 32 3.147 4.882 4.773 1.00 0.00 C ATOM 113 C TYR A 32 1.886 4.468 5.483 1.00 0.00 C ATOM 114 O TYR A 32 1.438 5.145 6.411 1.00 0.00 O ATOM 115 CB TYR A 32 4.345 4.355 5.572 1.00 0.00 C ATOM 116 CG TYR A 32 5.675 4.951 5.174 1.00 0.00 C ATOM 117 CD1 TYR A 32 6.125 4.893 3.870 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.476 5.579 6.115 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.328 5.442 3.512 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.685 6.130 5.764 1.00 0.00 C ATOM 121 CZ TYR A 32 8.104 6.057 4.459 1.00 0.00 C ATOM 122 OH TYR A 32 9.298 6.615 4.093 1.00 0.00 O ATOM 0 H TYR A 32 3.336 6.791 5.587 1.00 0.00 H new ATOM 0 HA TYR A 32 3.164 4.473 3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.175 4.553 6.630 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.396 3.273 5.454 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.519 4.407 3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.144 5.636 7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.664 5.390 2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.299 6.616 6.508 1.00 0.00 H new ATOM 0 HH TYR A 32 9.728 7.013 4.879 1.00 0.00 H new ATOM 132 N ILE A 33 1.325 3.368 5.063 1.00 0.00 N ATOM 133 CA ILE A 33 0.157 2.816 5.691 1.00 0.00 C ATOM 134 C ILE A 33 0.282 1.325 5.796 1.00 0.00 C ATOM 135 O ILE A 33 1.047 0.694 5.053 1.00 0.00 O ATOM 136 CB ILE A 33 -1.167 3.144 4.953 1.00 0.00 C ATOM 137 CG1 ILE A 33 -1.081 2.758 3.475 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.539 4.606 5.122 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.384 2.886 2.739 1.00 0.00 C ATOM 0 H ILE A 33 1.668 2.826 4.270 1.00 0.00 H new ATOM 0 HA ILE A 33 0.107 3.281 6.676 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.960 2.548 5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.336 3.387 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.730 1.729 3.398 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.471 4.808 4.594 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.666 4.829 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.747 5.233 4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.244 2.595 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.128 2.236 3.200 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.727 3.920 2.784 1.00 0.00 H new ATOM 151 N TYR A 34 -0.441 0.790 6.716 1.00 0.00 N ATOM 152 CA TYR A 34 -0.515 -0.597 6.961 1.00 0.00 C ATOM 153 C TYR A 34 -1.851 -1.085 6.469 1.00 0.00 C ATOM 154 O TYR A 34 -2.893 -0.573 6.883 1.00 0.00 O ATOM 155 CB TYR A 34 -0.376 -0.851 8.475 1.00 0.00 C ATOM 156 CG TYR A 34 -0.727 -2.245 8.910 1.00 0.00 C ATOM 157 CD1 TYR A 34 0.156 -3.285 8.746 1.00 0.00 C ATOM 158 CD2 TYR A 34 -1.960 -2.505 9.471 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.181 -4.571 9.133 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.316 -3.775 9.867 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.421 -4.812 9.694 1.00 0.00 C ATOM 162 OH TYR A 34 -1.769 -6.100 10.078 1.00 0.00 O ATOM 0 H TYR A 34 -1.024 1.340 7.347 1.00 0.00 H new ATOM 0 HA TYR A 34 0.285 -1.128 6.444 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.651 -0.639 8.773 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.014 -0.147 9.008 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.126 -3.097 8.309 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.662 -1.695 9.603 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.521 -5.381 8.997 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.285 -3.958 10.308 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.674 -6.096 10.455 1.00 0.00 H new ATOM 172 N ILE A 35 -1.831 -2.009 5.575 1.00 0.00 N ATOM 173 CA ILE A 35 -3.038 -2.612 5.105 1.00 0.00 C ATOM 174 C ILE A 35 -3.067 -4.018 5.672 1.00 0.00 C ATOM 175 O ILE A 35 -2.106 -4.753 5.536 1.00 0.00 O ATOM 176 CB ILE A 35 -3.053 -2.717 3.564 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.646 -1.397 2.932 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.471 -3.066 3.101 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.070 -1.548 1.545 1.00 0.00 C ATOM 0 H ILE A 35 -0.980 -2.372 5.146 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.893 -2.011 5.414 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.347 -3.490 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.515 -0.741 2.887 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.911 -0.908 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.490 -3.142 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.772 -4.019 3.537 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.161 -2.286 3.422 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.801 -0.567 1.154 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.182 -2.178 1.587 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.811 -2.008 0.891 1.00 0.00 H new ATOM 191 N GLY A 36 -4.130 -4.363 6.295 1.00 0.00 N ATOM 192 CA GLY A 36 -4.296 -5.660 6.872 1.00 0.00 C ATOM 193 C GLY A 36 -5.608 -6.230 6.442 1.00 0.00 C ATOM 194 O GLY A 36 -6.390 -5.513 5.808 1.00 0.00 O ATOM 0 H GLY A 36 -4.931 -3.745 6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.483 -6.315 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.254 -5.595 7.959 1.00 0.00 H new ATOM 198 N ASN A 37 -5.861 -7.489 6.780 1.00 0.00 N ATOM 199 CA ASN A 37 -7.106 -8.200 6.400 1.00 0.00 C ATOM 200 C ASN A 37 -7.142 -8.483 4.910 1.00 0.00 C ATOM 201 O ASN A 37 -8.209 -8.567 4.302 1.00 0.00 O ATOM 202 CB ASN A 37 -8.374 -7.435 6.832 1.00 0.00 C ATOM 203 CG ASN A 37 -8.670 -7.508 8.312 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.778 -7.682 9.150 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.910 -7.339 8.654 1.00 0.00 N ATOM 0 H ASN A 37 -5.216 -8.059 7.327 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.098 -9.149 6.936 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.268 -6.389 6.546 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.228 -7.831 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.173 -7.347 9.640 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.622 -7.198 7.937 1.00 0.00 H new ATOM 212 N LEU A 38 -5.972 -8.677 4.337 1.00 0.00 N ATOM 213 CA LEU A 38 -5.849 -8.981 2.921 1.00 0.00 C ATOM 214 C LEU A 38 -6.387 -10.343 2.583 1.00 0.00 C ATOM 215 O LEU A 38 -6.463 -11.242 3.424 1.00 0.00 O ATOM 216 CB LEU A 38 -4.394 -8.886 2.413 1.00 0.00 C ATOM 217 CG LEU A 38 -3.916 -7.537 1.873 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.695 -7.157 0.636 1.00 0.00 C ATOM 219 CD2 LEU A 38 -4.040 -6.462 2.903 1.00 0.00 C ATOM 0 H LEU A 38 -5.083 -8.629 4.834 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.447 -8.221 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.734 -9.173 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.265 -9.628 1.625 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.862 -7.640 1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.342 -6.195 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.551 -7.917 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.755 -7.085 0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.692 -5.517 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.083 -6.364 3.203 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.435 -6.720 3.773 1.00 0.00 H new ATOM 231 N ASN A 39 -6.770 -10.477 1.361 1.00 0.00 N ATOM 232 CA ASN A 39 -7.203 -11.724 0.819 1.00 0.00 C ATOM 233 C ASN A 39 -5.992 -12.328 0.148 1.00 0.00 C ATOM 234 O ASN A 39 -5.152 -11.597 -0.385 1.00 0.00 O ATOM 235 CB ASN A 39 -8.301 -11.470 -0.220 1.00 0.00 C ATOM 236 CG ASN A 39 -9.000 -12.725 -0.738 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.448 -13.811 -0.751 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.174 -12.555 -1.256 1.00 0.00 N ATOM 0 H ASN A 39 -6.793 -9.707 0.693 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.605 -12.385 1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.049 -10.810 0.218 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.864 -10.940 -1.066 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.659 -13.341 -1.688 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.614 -11.635 -1.232 1.00 0.00 H new ATOM 245 N ARG A 40 -5.895 -13.622 0.177 1.00 0.00 N ATOM 246 CA ARG A 40 -4.810 -14.351 -0.434 1.00 0.00 C ATOM 247 C ARG A 40 -4.768 -14.126 -1.957 1.00 0.00 C ATOM 248 O ARG A 40 -3.735 -14.279 -2.580 1.00 0.00 O ATOM 249 CB ARG A 40 -4.917 -15.852 -0.051 1.00 0.00 C ATOM 250 CG ARG A 40 -6.195 -16.555 -0.507 1.00 0.00 C ATOM 251 CD ARG A 40 -6.113 -16.931 -1.961 1.00 0.00 C ATOM 252 NE ARG A 40 -7.340 -17.510 -2.468 1.00 0.00 N ATOM 253 CZ ARG A 40 -7.547 -17.854 -3.735 1.00 0.00 C ATOM 254 NH1 ARG A 40 -6.551 -17.766 -4.630 1.00 0.00 N ATOM 255 NH2 ARG A 40 -8.744 -18.288 -4.109 1.00 0.00 N ATOM 0 H ARG A 40 -6.581 -14.221 0.636 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.861 -13.974 -0.053 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.062 -16.379 -0.474 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.841 -15.939 1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.357 -17.449 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.052 -15.901 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.868 -16.045 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.298 -17.641 -2.101 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.100 -17.665 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.631 -17.434 -4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.713 -18.031 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.498 -18.356 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.910 -18.554 -5.080 1.00 0.00 H new ATOM 269 N GLU A 41 -5.902 -13.747 -2.543 1.00 0.00 N ATOM 270 CA GLU A 41 -5.972 -13.535 -3.997 1.00 0.00 C ATOM 271 C GLU A 41 -5.610 -12.098 -4.367 1.00 0.00 C ATOM 272 O GLU A 41 -5.600 -11.729 -5.552 1.00 0.00 O ATOM 273 CB GLU A 41 -7.358 -13.889 -4.549 1.00 0.00 C ATOM 274 CG GLU A 41 -8.471 -13.007 -4.042 1.00 0.00 C ATOM 275 CD GLU A 41 -9.805 -13.371 -4.628 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.357 -14.404 -4.254 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.343 -12.609 -5.469 1.00 0.00 O ATOM 0 H GLU A 41 -6.777 -13.581 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.241 -14.203 -4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.329 -13.829 -5.637 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.585 -14.924 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.523 -13.081 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.244 -11.968 -4.281 1.00 0.00 H new ATOM 284 N LEU A 42 -5.327 -11.296 -3.370 1.00 0.00 N ATOM 285 CA LEU A 42 -4.970 -9.929 -3.603 1.00 0.00 C ATOM 286 C LEU A 42 -3.477 -9.791 -3.741 1.00 0.00 C ATOM 287 O LEU A 42 -2.701 -10.248 -2.890 1.00 0.00 O ATOM 288 CB LEU A 42 -5.545 -9.000 -2.526 1.00 0.00 C ATOM 289 CG LEU A 42 -7.072 -8.838 -2.546 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.555 -7.985 -1.389 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.534 -8.234 -3.863 1.00 0.00 C ATOM 0 H LEU A 42 -5.339 -11.573 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.418 -9.615 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.249 -9.378 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.090 -8.016 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.505 -9.833 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.640 -7.891 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.270 -8.454 -0.447 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.102 -6.995 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.619 -8.129 -3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.075 -7.254 -3.995 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.239 -8.886 -4.685 1.00 0.00 H new ATOM 303 N THR A 43 -3.098 -9.229 -4.834 1.00 0.00 N ATOM 304 CA THR A 43 -1.740 -8.993 -5.182 1.00 0.00 C ATOM 305 C THR A 43 -1.495 -7.493 -5.212 1.00 0.00 C ATOM 306 O THR A 43 -2.449 -6.699 -5.039 1.00 0.00 O ATOM 307 CB THR A 43 -1.400 -9.615 -6.560 1.00 0.00 C ATOM 308 OG1 THR A 43 -2.272 -9.090 -7.580 1.00 0.00 O ATOM 309 CG2 THR A 43 -1.524 -11.132 -6.520 1.00 0.00 C ATOM 0 H THR A 43 -3.756 -8.906 -5.543 1.00 0.00 H new ATOM 0 HA THR A 43 -1.096 -9.463 -4.438 1.00 0.00 H new ATOM 0 HB THR A 43 -0.369 -9.353 -6.796 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.202 -9.304 -7.357 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.280 -11.543 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.836 -11.534 -5.776 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.545 -11.407 -6.255 1.00 0.00 H new ATOM 317 N GLU A 44 -0.248 -7.104 -5.412 1.00 0.00 N ATOM 318 CA GLU A 44 0.156 -5.715 -5.459 1.00 0.00 C ATOM 319 C GLU A 44 -0.653 -4.952 -6.504 1.00 0.00 C ATOM 320 O GLU A 44 -1.108 -3.844 -6.247 1.00 0.00 O ATOM 321 CB GLU A 44 1.664 -5.573 -5.785 1.00 0.00 C ATOM 322 CG GLU A 44 2.634 -6.246 -4.806 1.00 0.00 C ATOM 323 CD GLU A 44 2.899 -7.724 -5.082 1.00 0.00 C ATOM 324 OE1 GLU A 44 1.965 -8.495 -5.367 1.00 0.00 O ATOM 325 OE2 GLU A 44 4.065 -8.156 -4.979 1.00 0.00 O ATOM 0 H GLU A 44 0.523 -7.758 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.032 -5.294 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.840 -5.984 -6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.906 -4.511 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.583 -5.710 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.237 -6.145 -3.796 1.00 0.00 H new ATOM 332 N GLY A 45 -0.870 -5.584 -7.654 1.00 0.00 N ATOM 333 CA GLY A 45 -1.608 -4.968 -8.741 1.00 0.00 C ATOM 334 C GLY A 45 -3.039 -4.625 -8.373 1.00 0.00 C ATOM 335 O GLY A 45 -3.553 -3.568 -8.771 1.00 0.00 O ATOM 0 H GLY A 45 -0.541 -6.529 -7.853 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.092 -4.060 -9.053 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.612 -5.643 -9.597 1.00 0.00 H new ATOM 339 N ASP A 46 -3.683 -5.498 -7.599 1.00 0.00 N ATOM 340 CA ASP A 46 -5.069 -5.277 -7.180 1.00 0.00 C ATOM 341 C ASP A 46 -5.103 -4.097 -6.250 1.00 0.00 C ATOM 342 O ASP A 46 -5.900 -3.166 -6.420 1.00 0.00 O ATOM 343 CB ASP A 46 -5.641 -6.496 -6.436 1.00 0.00 C ATOM 344 CG ASP A 46 -5.552 -7.794 -7.195 1.00 0.00 C ATOM 345 OD1 ASP A 46 -6.322 -8.014 -8.145 1.00 0.00 O ATOM 346 OD2 ASP A 46 -4.717 -8.628 -6.858 1.00 0.00 O ATOM 0 H ASP A 46 -3.270 -6.363 -7.250 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.672 -5.104 -8.072 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.113 -6.607 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.687 -6.301 -6.197 1.00 0.00 H new ATOM 351 N ILE A 47 -4.196 -4.132 -5.278 1.00 0.00 N ATOM 352 CA ILE A 47 -4.067 -3.087 -4.282 1.00 0.00 C ATOM 353 C ILE A 47 -3.778 -1.745 -4.941 1.00 0.00 C ATOM 354 O ILE A 47 -4.425 -0.753 -4.638 1.00 0.00 O ATOM 355 CB ILE A 47 -2.962 -3.425 -3.235 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.376 -4.632 -2.380 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.632 -2.223 -2.360 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.375 -4.989 -1.300 1.00 0.00 C ATOM 0 H ILE A 47 -3.528 -4.894 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.019 -3.021 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.056 -3.687 -3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.339 -4.422 -1.915 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.517 -5.495 -3.031 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.858 -2.497 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.274 -1.405 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.527 -1.906 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.737 -5.850 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.416 -5.231 -1.758 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.251 -4.142 -0.625 1.00 0.00 H new ATOM 370 N LEU A 48 -2.870 -1.747 -5.896 1.00 0.00 N ATOM 371 CA LEU A 48 -2.470 -0.538 -6.586 1.00 0.00 C ATOM 372 C LEU A 48 -3.635 0.117 -7.271 1.00 0.00 C ATOM 373 O LEU A 48 -3.818 1.309 -7.133 1.00 0.00 O ATOM 374 CB LEU A 48 -1.380 -0.831 -7.604 1.00 0.00 C ATOM 375 CG LEU A 48 0.025 -1.046 -7.064 1.00 0.00 C ATOM 376 CD1 LEU A 48 0.934 -1.538 -8.175 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.575 0.250 -6.480 1.00 0.00 C ATOM 0 H LEU A 48 -2.389 -2.588 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.082 0.148 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.668 -1.721 -8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.348 -0.005 -8.314 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.015 -1.795 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.939 -1.690 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.551 -2.480 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.965 -0.798 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.581 0.079 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.607 1.014 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.069 0.585 -5.667 1.00 0.00 H new ATOM 389 N THR A 49 -4.437 -0.657 -7.958 1.00 0.00 N ATOM 390 CA THR A 49 -5.582 -0.130 -8.656 1.00 0.00 C ATOM 391 C THR A 49 -6.594 0.515 -7.704 1.00 0.00 C ATOM 392 O THR A 49 -7.053 1.639 -7.940 1.00 0.00 O ATOM 393 CB THR A 49 -6.250 -1.227 -9.479 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.306 -1.716 -10.444 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.451 -0.675 -10.196 1.00 0.00 C ATOM 0 H THR A 49 -4.315 -1.666 -8.049 1.00 0.00 H new ATOM 0 HA THR A 49 -5.224 0.653 -9.324 1.00 0.00 H new ATOM 0 HB THR A 49 -6.571 -2.034 -8.820 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.949 -0.965 -10.962 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.921 -1.466 -10.781 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.164 -0.290 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.139 0.131 -10.860 1.00 0.00 H new ATOM 403 N VAL A 50 -6.885 -0.169 -6.623 1.00 0.00 N ATOM 404 CA VAL A 50 -7.823 0.314 -5.638 1.00 0.00 C ATOM 405 C VAL A 50 -7.284 1.579 -4.962 1.00 0.00 C ATOM 406 O VAL A 50 -7.951 2.606 -4.911 1.00 0.00 O ATOM 407 CB VAL A 50 -8.106 -0.786 -4.584 1.00 0.00 C ATOM 408 CG1 VAL A 50 -9.055 -0.286 -3.530 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.695 -2.009 -5.258 1.00 0.00 C ATOM 0 H VAL A 50 -6.477 -1.077 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.758 0.564 -6.139 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.163 -1.051 -4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.238 -1.076 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.619 0.577 -3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.997 0.003 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.891 -2.778 -4.510 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.628 -1.738 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.991 -2.392 -5.996 1.00 0.00 H new ATOM 419 N PHE A 51 -6.049 1.501 -4.524 1.00 0.00 N ATOM 420 CA PHE A 51 -5.380 2.559 -3.832 1.00 0.00 C ATOM 421 C PHE A 51 -5.140 3.781 -4.703 1.00 0.00 C ATOM 422 O PHE A 51 -5.043 4.894 -4.203 1.00 0.00 O ATOM 423 CB PHE A 51 -4.108 2.029 -3.195 1.00 0.00 C ATOM 424 CG PHE A 51 -4.373 1.252 -1.917 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.280 0.201 -1.885 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.716 1.572 -0.756 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.508 -0.503 -0.732 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.942 0.878 0.392 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.832 -0.162 0.416 1.00 0.00 C ATOM 0 H PHE A 51 -5.471 0.670 -4.647 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.038 2.914 -3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.591 1.385 -3.906 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.441 2.863 -2.977 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.815 -0.066 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.008 2.388 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.214 -1.320 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.414 1.150 1.294 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.002 -0.711 1.330 1.00 0.00 H new ATOM 439 N SER A 52 -5.098 3.575 -6.003 1.00 0.00 N ATOM 440 CA SER A 52 -4.939 4.659 -6.943 1.00 0.00 C ATOM 441 C SER A 52 -6.185 5.537 -7.028 1.00 0.00 C ATOM 442 O SER A 52 -6.106 6.664 -7.511 1.00 0.00 O ATOM 443 CB SER A 52 -4.579 4.133 -8.309 1.00 0.00 C ATOM 444 OG SER A 52 -3.294 3.564 -8.317 1.00 0.00 O ATOM 0 H SER A 52 -5.173 2.654 -6.434 1.00 0.00 H new ATOM 0 HA SER A 52 -4.124 5.281 -6.574 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.311 3.387 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.624 4.944 -9.036 1.00 0.00 H new ATOM 0 HG SER A 52 -3.292 2.753 -7.767 1.00 0.00 H new ATOM 450 N GLU A 53 -7.334 5.040 -6.564 1.00 0.00 N ATOM 451 CA GLU A 53 -8.531 5.874 -6.556 1.00 0.00 C ATOM 452 C GLU A 53 -8.357 7.008 -5.517 1.00 0.00 C ATOM 453 O GLU A 53 -8.933 8.089 -5.653 1.00 0.00 O ATOM 454 CB GLU A 53 -9.810 5.070 -6.220 1.00 0.00 C ATOM 455 CG GLU A 53 -11.075 5.892 -6.452 1.00 0.00 C ATOM 456 CD GLU A 53 -12.347 5.325 -5.870 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.955 4.422 -6.469 1.00 0.00 O ATOM 458 OE2 GLU A 53 -12.811 5.857 -4.844 1.00 0.00 O ATOM 0 H GLU A 53 -7.458 4.095 -6.201 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.652 6.282 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.844 4.169 -6.833 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.773 4.746 -5.180 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.920 6.887 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.213 6.015 -7.526 1.00 0.00 H new ATOM 465 N TYR A 54 -7.511 6.757 -4.521 1.00 0.00 N ATOM 466 CA TYR A 54 -7.299 7.676 -3.406 1.00 0.00 C ATOM 467 C TYR A 54 -6.146 8.624 -3.660 1.00 0.00 C ATOM 468 O TYR A 54 -6.000 9.642 -2.986 1.00 0.00 O ATOM 469 CB TYR A 54 -7.042 6.882 -2.149 1.00 0.00 C ATOM 470 CG TYR A 54 -8.128 5.884 -1.900 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.353 6.267 -1.403 1.00 0.00 C ATOM 472 CD2 TYR A 54 -7.925 4.566 -2.192 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.342 5.342 -1.202 1.00 0.00 C ATOM 474 CE2 TYR A 54 -8.901 3.629 -2.001 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.115 4.022 -1.505 1.00 0.00 C ATOM 476 OH TYR A 54 -11.094 3.091 -1.290 1.00 0.00 O ATOM 0 H TYR A 54 -6.951 5.907 -4.464 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.198 8.281 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.085 6.367 -2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.967 7.559 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.535 7.306 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.968 4.256 -2.584 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.299 5.650 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.717 2.592 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.894 3.533 -0.938 1.00 0.00 H new ATOM 486 N GLY A 55 -5.333 8.297 -4.625 1.00 0.00 N ATOM 487 CA GLY A 55 -4.215 9.117 -4.935 1.00 0.00 C ATOM 488 C GLY A 55 -3.198 8.364 -5.716 1.00 0.00 C ATOM 489 O GLY A 55 -3.515 7.340 -6.315 1.00 0.00 O ATOM 0 H GLY A 55 -5.431 7.465 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.545 9.986 -5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.767 9.490 -4.014 1.00 0.00 H new ATOM 493 N VAL A 56 -1.985 8.836 -5.691 1.00 0.00 N ATOM 494 CA VAL A 56 -0.922 8.252 -6.472 1.00 0.00 C ATOM 495 C VAL A 56 -0.004 7.380 -5.618 1.00 0.00 C ATOM 496 O VAL A 56 0.717 7.893 -4.742 1.00 0.00 O ATOM 497 CB VAL A 56 -0.090 9.347 -7.176 1.00 0.00 C ATOM 498 CG1 VAL A 56 1.027 8.746 -8.015 1.00 0.00 C ATOM 499 CG2 VAL A 56 -0.988 10.205 -8.034 1.00 0.00 C ATOM 0 H VAL A 56 -1.700 9.638 -5.129 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.392 7.619 -7.225 1.00 0.00 H new ATOM 0 HB VAL A 56 0.372 9.967 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.591 9.545 -8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.692 8.167 -7.374 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.599 8.095 -8.777 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.394 10.974 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.474 9.584 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.746 10.677 -7.409 1.00 0.00 H new ATOM 509 N PRO A 57 -0.041 6.058 -5.833 1.00 0.00 N ATOM 510 CA PRO A 57 0.846 5.126 -5.167 1.00 0.00 C ATOM 511 C PRO A 57 2.226 5.134 -5.834 1.00 0.00 C ATOM 512 O PRO A 57 2.336 5.240 -7.064 1.00 0.00 O ATOM 513 CB PRO A 57 0.157 3.777 -5.387 1.00 0.00 C ATOM 514 CG PRO A 57 -0.553 3.926 -6.678 1.00 0.00 C ATOM 515 CD PRO A 57 -0.971 5.364 -6.755 1.00 0.00 C ATOM 0 HA PRO A 57 1.010 5.362 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.881 2.963 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.536 3.549 -4.577 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.096 3.663 -7.513 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.418 3.265 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.888 5.750 -7.771 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.009 5.495 -6.448 1.00 0.00 H new ATOM 523 N VAL A 58 3.266 5.064 -5.046 1.00 0.00 N ATOM 524 CA VAL A 58 4.611 5.058 -5.609 1.00 0.00 C ATOM 525 C VAL A 58 5.332 3.738 -5.350 1.00 0.00 C ATOM 526 O VAL A 58 6.278 3.385 -6.071 1.00 0.00 O ATOM 527 CB VAL A 58 5.486 6.259 -5.128 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.914 7.579 -5.588 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.623 6.273 -3.632 1.00 0.00 C ATOM 0 H VAL A 58 3.222 5.011 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 58 4.474 5.172 -6.684 1.00 0.00 H new ATOM 0 HB VAL A 58 6.472 6.126 -5.574 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.548 8.393 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.872 7.597 -6.677 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.909 7.701 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.238 7.121 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.636 6.360 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.095 5.348 -3.301 1.00 0.00 H new ATOM 539 N ASP A 59 4.893 3.004 -4.338 1.00 0.00 N ATOM 540 CA ASP A 59 5.520 1.726 -4.005 1.00 0.00 C ATOM 541 C ASP A 59 4.546 0.890 -3.216 1.00 0.00 C ATOM 542 O ASP A 59 3.739 1.446 -2.445 1.00 0.00 O ATOM 543 CB ASP A 59 6.787 1.949 -3.176 1.00 0.00 C ATOM 544 CG ASP A 59 7.647 0.711 -3.071 1.00 0.00 C ATOM 545 OD1 ASP A 59 8.312 0.360 -4.059 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.719 0.104 -1.998 1.00 0.00 O ATOM 0 H ASP A 59 4.112 3.265 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 59 5.793 1.214 -4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.371 2.754 -3.623 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.507 2.277 -2.175 1.00 0.00 H new ATOM 551 N VAL A 60 4.579 -0.412 -3.421 1.00 0.00 N ATOM 552 CA VAL A 60 3.697 -1.318 -2.720 1.00 0.00 C ATOM 553 C VAL A 60 4.408 -2.663 -2.456 1.00 0.00 C ATOM 554 O VAL A 60 5.099 -3.216 -3.331 1.00 0.00 O ATOM 555 CB VAL A 60 2.361 -1.539 -3.504 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.599 -2.243 -4.822 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.322 -2.277 -2.663 1.00 0.00 C ATOM 0 H VAL A 60 5.215 -0.868 -4.075 1.00 0.00 H new ATOM 0 HA VAL A 60 3.442 -0.865 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 60 1.956 -0.551 -3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.649 -2.379 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.265 -1.642 -5.441 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.055 -3.216 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.410 -2.409 -3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.713 -3.253 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.100 -1.696 -1.768 1.00 0.00 H new ATOM 567 N ILE A 61 4.304 -3.137 -1.252 1.00 0.00 N ATOM 568 CA ILE A 61 4.869 -4.404 -0.863 1.00 0.00 C ATOM 569 C ILE A 61 3.770 -5.307 -0.355 1.00 0.00 C ATOM 570 O ILE A 61 2.997 -4.914 0.515 1.00 0.00 O ATOM 571 CB ILE A 61 5.934 -4.222 0.243 1.00 0.00 C ATOM 572 CG1 ILE A 61 7.076 -3.363 -0.270 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.459 -5.570 0.757 1.00 0.00 C ATOM 574 CD1 ILE A 61 8.053 -2.990 0.793 1.00 0.00 C ATOM 0 H ILE A 61 3.818 -2.652 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 61 5.349 -4.849 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 61 5.459 -3.718 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.598 -3.899 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.668 -2.455 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.205 -5.398 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.633 -6.149 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.912 -6.122 -0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.844 -2.377 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.543 -2.427 1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.487 -3.893 1.221 1.00 0.00 H new ATOM 586 N LEU A 62 3.684 -6.476 -0.899 1.00 0.00 N ATOM 587 CA LEU A 62 2.751 -7.451 -0.435 1.00 0.00 C ATOM 588 C LEU A 62 3.549 -8.384 0.451 1.00 0.00 C ATOM 589 O LEU A 62 4.543 -8.954 0.002 1.00 0.00 O ATOM 590 CB LEU A 62 2.195 -8.250 -1.619 1.00 0.00 C ATOM 591 CG LEU A 62 0.752 -8.773 -1.514 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.494 -9.533 -0.228 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.223 -7.643 -1.677 1.00 0.00 C ATOM 0 H LEU A 62 4.261 -6.784 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 62 1.915 -6.987 0.089 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.260 -7.622 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.851 -9.105 -1.784 1.00 0.00 H new ATOM 0 HG LEU A 62 0.609 -9.487 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.540 -9.878 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.164 -10.391 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.673 -8.877 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.240 -8.026 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.055 -6.902 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.082 -7.179 -2.653 1.00 0.00 H new ATOM 605 N SER A 63 3.165 -8.525 1.680 1.00 0.00 N ATOM 606 CA SER A 63 3.879 -9.404 2.533 1.00 0.00 C ATOM 607 C SER A 63 3.332 -10.800 2.328 1.00 0.00 C ATOM 608 O SER A 63 2.122 -11.025 2.436 1.00 0.00 O ATOM 609 CB SER A 63 3.733 -8.985 3.974 1.00 0.00 C ATOM 610 OG SER A 63 4.731 -9.602 4.777 1.00 0.00 O ATOM 0 H SER A 63 2.371 -8.047 2.106 1.00 0.00 H new ATOM 0 HA SER A 63 4.942 -9.377 2.292 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.813 -7.901 4.053 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.743 -9.259 4.340 1.00 0.00 H new ATOM 0 HG SER A 63 4.628 -9.312 5.707 1.00 0.00 H new ATOM 616 N ARG A 64 4.188 -11.709 1.984 1.00 0.00 N ATOM 617 CA ARG A 64 3.800 -13.070 1.745 1.00 0.00 C ATOM 618 C ARG A 64 4.505 -14.006 2.688 1.00 0.00 C ATOM 619 O ARG A 64 5.680 -13.806 3.022 1.00 0.00 O ATOM 620 CB ARG A 64 4.041 -13.454 0.287 1.00 0.00 C ATOM 621 CG ARG A 64 3.097 -12.765 -0.666 1.00 0.00 C ATOM 622 CD ARG A 64 3.442 -13.021 -2.114 1.00 0.00 C ATOM 623 NE ARG A 64 2.423 -12.432 -2.975 1.00 0.00 N ATOM 624 CZ ARG A 64 2.551 -11.315 -3.698 1.00 0.00 C ATOM 625 NH1 ARG A 64 3.714 -10.657 -3.776 1.00 0.00 N ATOM 626 NH2 ARG A 64 1.509 -10.865 -4.353 1.00 0.00 N ATOM 0 H ARG A 64 5.184 -11.530 1.859 1.00 0.00 H new ATOM 0 HA ARG A 64 2.731 -13.159 1.937 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.067 -13.206 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.935 -14.533 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.080 -13.106 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.115 -11.692 -0.477 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.418 -12.595 -2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.511 -14.093 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 64 1.528 -12.918 -3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.532 -11.006 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.782 -9.807 -4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.621 -11.365 -4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.585 -10.014 -4.911 1.00 0.00 H new ATOM 728 N GLN A 72 0.438 -12.778 3.597 1.00 0.00 N ATOM 729 CA GLN A 72 0.438 -12.801 5.059 1.00 0.00 C ATOM 730 C GLN A 72 -0.833 -12.183 5.593 1.00 0.00 C ATOM 731 O GLN A 72 -1.086 -12.189 6.799 1.00 0.00 O ATOM 732 CB GLN A 72 1.615 -11.995 5.584 1.00 0.00 C ATOM 733 CG GLN A 72 2.952 -12.681 5.502 1.00 0.00 C ATOM 734 CD GLN A 72 3.147 -13.702 6.596 1.00 0.00 C ATOM 735 OE1 GLN A 72 2.197 -14.314 7.086 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.367 -13.885 6.994 1.00 0.00 N ATOM 0 HA GLN A 72 0.511 -13.838 5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.670 -11.059 5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.421 -11.736 6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.047 -13.170 4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.744 -11.934 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.128 -13.359 6.564 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.566 -14.555 7.737 1.00 0.00 H new ATOM 745 N GLY A 73 -1.605 -11.618 4.699 1.00 0.00 N ATOM 746 CA GLY A 73 -2.818 -10.979 5.088 1.00 0.00 C ATOM 747 C GLY A 73 -2.614 -9.513 5.347 1.00 0.00 C ATOM 748 O GLY A 73 -3.535 -8.823 5.764 1.00 0.00 O ATOM 0 H GLY A 73 -1.407 -11.592 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.566 -11.110 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.209 -11.457 5.986 1.00 0.00 H new ATOM 752 N PHE A 74 -1.421 -9.021 5.076 1.00 0.00 N ATOM 753 CA PHE A 74 -1.138 -7.626 5.261 1.00 0.00 C ATOM 754 C PHE A 74 -0.208 -7.164 4.160 1.00 0.00 C ATOM 755 O PHE A 74 0.550 -7.976 3.596 1.00 0.00 O ATOM 756 CB PHE A 74 -0.554 -7.311 6.675 1.00 0.00 C ATOM 757 CG PHE A 74 0.881 -7.712 6.912 1.00 0.00 C ATOM 758 CD1 PHE A 74 1.208 -8.979 7.358 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.905 -6.798 6.694 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.528 -9.330 7.575 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.218 -7.142 6.910 1.00 0.00 C ATOM 762 CZ PHE A 74 3.531 -8.409 7.350 1.00 0.00 C ATOM 0 H PHE A 74 -0.637 -9.573 4.727 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.076 -7.075 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.643 -6.239 6.850 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.175 -7.808 7.420 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.426 -9.701 7.539 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.665 -5.803 6.350 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.774 -10.323 7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.002 -6.421 6.735 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.562 -8.682 7.519 1.00 0.00 H new ATOM 772 N ALA A 75 -0.276 -5.905 3.837 1.00 0.00 N ATOM 773 CA ALA A 75 0.540 -5.329 2.818 1.00 0.00 C ATOM 774 C ALA A 75 0.851 -3.877 3.153 1.00 0.00 C ATOM 775 O ALA A 75 0.293 -3.309 4.101 1.00 0.00 O ATOM 776 CB ALA A 75 -0.151 -5.439 1.473 1.00 0.00 C ATOM 0 H ALA A 75 -0.911 -5.243 4.283 1.00 0.00 H new ATOM 0 HA ALA A 75 1.482 -5.875 2.764 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.480 -4.996 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.327 -6.489 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.104 -4.911 1.509 1.00 0.00 H new ATOM 782 N TYR A 76 1.719 -3.298 2.381 1.00 0.00 N ATOM 783 CA TYR A 76 2.170 -1.940 2.551 1.00 0.00 C ATOM 784 C TYR A 76 2.079 -1.200 1.241 1.00 0.00 C ATOM 785 O TYR A 76 2.401 -1.760 0.204 1.00 0.00 O ATOM 786 CB TYR A 76 3.626 -1.970 3.039 1.00 0.00 C ATOM 787 CG TYR A 76 4.458 -0.741 2.713 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.317 0.453 3.403 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.415 -0.809 1.719 1.00 0.00 C ATOM 790 CE1 TYR A 76 5.125 1.534 3.104 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.209 0.254 1.410 1.00 0.00 C ATOM 792 CZ TYR A 76 6.069 1.425 2.101 1.00 0.00 C ATOM 793 OH TYR A 76 6.900 2.480 1.818 1.00 0.00 O ATOM 0 H TYR A 76 2.151 -3.770 1.586 1.00 0.00 H new ATOM 0 HA TYR A 76 1.544 -1.427 3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.624 -2.108 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.116 -2.842 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.571 0.539 4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.537 -1.732 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.019 2.459 3.651 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.945 0.172 0.624 1.00 0.00 H new ATOM 0 HH TYR A 76 6.762 3.191 2.478 1.00 0.00 H new ATOM 803 N LEU A 77 1.661 0.037 1.289 1.00 0.00 N ATOM 804 CA LEU A 77 1.616 0.874 0.125 1.00 0.00 C ATOM 805 C LEU A 77 1.902 2.290 0.564 1.00 0.00 C ATOM 806 O LEU A 77 1.502 2.691 1.653 1.00 0.00 O ATOM 807 CB LEU A 77 0.261 0.751 -0.636 1.00 0.00 C ATOM 808 CG LEU A 77 0.170 1.489 -2.000 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.835 0.815 -2.903 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.263 2.923 -1.806 1.00 0.00 C ATOM 0 H LEU A 77 1.341 0.493 2.143 1.00 0.00 H new ATOM 0 HA LEU A 77 2.372 0.553 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.058 -0.307 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.531 1.129 0.011 1.00 0.00 H new ATOM 0 HG LEU A 77 1.161 1.458 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.884 1.347 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.531 -0.217 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.816 0.828 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.320 3.420 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.243 2.946 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.460 3.439 -1.175 1.00 0.00 H new ATOM 822 N LYS A 78 2.644 3.006 -0.225 1.00 0.00 N ATOM 823 CA LYS A 78 2.958 4.368 0.083 1.00 0.00 C ATOM 824 C LYS A 78 2.554 5.251 -1.077 1.00 0.00 C ATOM 825 O LYS A 78 2.642 4.844 -2.264 1.00 0.00 O ATOM 826 CB LYS A 78 4.442 4.571 0.404 1.00 0.00 C ATOM 827 CG LYS A 78 5.362 4.331 -0.758 1.00 0.00 C ATOM 828 CD LYS A 78 6.785 4.767 -0.464 1.00 0.00 C ATOM 829 CE LYS A 78 6.905 6.266 -0.242 1.00 0.00 C ATOM 830 NZ LYS A 78 8.313 6.675 -0.022 1.00 0.00 N ATOM 0 H LYS A 78 3.048 2.664 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 78 2.399 4.641 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.588 5.589 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.721 3.902 1.218 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.354 3.271 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.992 4.871 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.146 4.243 0.421 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.429 4.474 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.503 6.795 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.303 6.556 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.357 7.704 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.689 6.188 0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.883 6.420 -0.854 1.00 0.00 H new ATOM 844 N TYR A 79 2.098 6.415 -0.760 1.00 0.00 N ATOM 845 CA TYR A 79 1.672 7.363 -1.750 1.00 0.00 C ATOM 846 C TYR A 79 2.653 8.480 -1.827 1.00 0.00 C ATOM 847 O TYR A 79 3.492 8.644 -0.936 1.00 0.00 O ATOM 848 CB TYR A 79 0.322 7.965 -1.400 1.00 0.00 C ATOM 849 CG TYR A 79 -0.828 7.012 -1.371 1.00 0.00 C ATOM 850 CD1 TYR A 79 -1.005 6.159 -0.310 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.765 7.006 -2.384 1.00 0.00 C ATOM 852 CE1 TYR A 79 -2.078 5.328 -0.244 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.842 6.166 -2.335 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.996 5.332 -1.259 1.00 0.00 C ATOM 855 OH TYR A 79 -4.073 4.522 -1.189 1.00 0.00 O ATOM 0 H TYR A 79 2.007 6.745 0.201 1.00 0.00 H new ATOM 0 HA TYR A 79 1.599 6.832 -2.699 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.400 8.440 -0.422 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.099 8.752 -2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.277 6.148 0.488 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.646 7.673 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.205 4.670 0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.565 6.160 -3.137 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.823 3.682 -0.751 1.00 0.00 H new ATOM 865 N GLU A 80 2.561 9.238 -2.883 1.00 0.00 N ATOM 866 CA GLU A 80 3.362 10.417 -3.017 1.00 0.00 C ATOM 867 C GLU A 80 2.739 11.534 -2.183 1.00 0.00 C ATOM 868 O GLU A 80 3.444 12.334 -1.558 1.00 0.00 O ATOM 869 CB GLU A 80 3.461 10.829 -4.487 1.00 0.00 C ATOM 870 CG GLU A 80 4.286 12.080 -4.716 1.00 0.00 C ATOM 871 CD GLU A 80 4.472 12.391 -6.166 1.00 0.00 C ATOM 872 OE1 GLU A 80 3.637 13.116 -6.737 1.00 0.00 O ATOM 873 OE2 GLU A 80 5.476 11.949 -6.756 1.00 0.00 O ATOM 0 H GLU A 80 1.934 9.057 -3.667 1.00 0.00 H new ATOM 0 HA GLU A 80 4.372 10.219 -2.658 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.897 10.008 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.456 10.990 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.801 12.925 -4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.262 11.957 -4.247 1.00 0.00 H new ATOM 880 N ASP A 81 1.417 11.548 -2.137 1.00 0.00 N ATOM 881 CA ASP A 81 0.697 12.576 -1.433 1.00 0.00 C ATOM 882 C ASP A 81 0.142 11.971 -0.163 1.00 0.00 C ATOM 883 O ASP A 81 -0.558 10.964 -0.198 1.00 0.00 O ATOM 884 CB ASP A 81 -0.451 13.123 -2.296 1.00 0.00 C ATOM 885 CG ASP A 81 -0.967 14.472 -1.819 1.00 0.00 C ATOM 886 OD1 ASP A 81 -1.433 14.595 -0.670 1.00 0.00 O ATOM 887 OD2 ASP A 81 -0.899 15.450 -2.602 1.00 0.00 O ATOM 0 H ASP A 81 0.824 10.850 -2.585 1.00 0.00 H new ATOM 0 HA ASP A 81 1.367 13.404 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.110 13.215 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.272 12.406 -2.295 1.00 0.00 H new ATOM 892 N GLN A 82 0.479 12.556 0.939 1.00 0.00 N ATOM 893 CA GLN A 82 0.064 12.093 2.253 1.00 0.00 C ATOM 894 C GLN A 82 -1.423 12.283 2.519 1.00 0.00 C ATOM 895 O GLN A 82 -1.979 11.697 3.428 1.00 0.00 O ATOM 896 CB GLN A 82 0.944 12.686 3.310 1.00 0.00 C ATOM 897 CG GLN A 82 2.351 12.182 3.169 1.00 0.00 C ATOM 898 CD GLN A 82 3.328 12.879 4.039 1.00 0.00 C ATOM 899 OE1 GLN A 82 3.175 14.056 4.364 1.00 0.00 O ATOM 900 NE2 GLN A 82 4.343 12.168 4.429 1.00 0.00 N ATOM 0 H GLN A 82 1.065 13.391 0.968 1.00 0.00 H new ATOM 0 HA GLN A 82 0.198 11.012 2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.932 13.773 3.233 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.558 12.432 4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.370 11.117 3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.663 12.290 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.428 11.195 4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.055 12.582 5.030 1.00 0.00 H new ATOM 909 N ARG A 83 -2.045 13.145 1.768 1.00 0.00 N ATOM 910 CA ARG A 83 -3.481 13.315 1.840 1.00 0.00 C ATOM 911 C ARG A 83 -4.163 12.044 1.348 1.00 0.00 C ATOM 912 O ARG A 83 -5.241 11.674 1.794 1.00 0.00 O ATOM 913 CB ARG A 83 -3.936 14.535 1.076 1.00 0.00 C ATOM 914 CG ARG A 83 -3.424 15.830 1.674 1.00 0.00 C ATOM 915 CD ARG A 83 -3.727 17.008 0.784 1.00 0.00 C ATOM 916 NE ARG A 83 -3.044 16.902 -0.510 1.00 0.00 N ATOM 917 CZ ARG A 83 -3.166 17.777 -1.511 1.00 0.00 C ATOM 918 NH1 ARG A 83 -4.002 18.808 -1.404 1.00 0.00 N ATOM 919 NH2 ARG A 83 -2.456 17.611 -2.613 1.00 0.00 N ATOM 0 H ARG A 83 -1.582 13.750 1.090 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.768 13.484 2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.596 14.458 0.043 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.026 14.557 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.879 15.985 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.348 15.759 1.831 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.803 17.075 0.623 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.422 17.928 1.282 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.430 16.100 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.553 18.932 -0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.092 19.474 -2.172 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.820 16.818 -2.695 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.544 18.276 -3.382 1.00 0.00 H new ATOM 933 N SER A 84 -3.535 11.406 0.406 1.00 0.00 N ATOM 934 CA SER A 84 -4.017 10.187 -0.156 1.00 0.00 C ATOM 935 C SER A 84 -4.031 9.031 0.868 1.00 0.00 C ATOM 936 O SER A 84 -4.946 8.209 0.845 1.00 0.00 O ATOM 937 CB SER A 84 -3.215 9.844 -1.381 1.00 0.00 C ATOM 938 OG SER A 84 -3.337 10.862 -2.347 1.00 0.00 O ATOM 0 H SER A 84 -2.656 11.728 0.001 1.00 0.00 H new ATOM 0 HA SER A 84 -5.057 10.334 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.167 9.712 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.559 8.897 -1.796 1.00 0.00 H new ATOM 0 HG SER A 84 -4.201 11.312 -2.240 1.00 0.00 H new ATOM 944 N THR A 85 -3.027 8.962 1.760 1.00 0.00 N ATOM 945 CA THR A 85 -2.960 7.861 2.726 1.00 0.00 C ATOM 946 C THR A 85 -4.177 7.884 3.662 1.00 0.00 C ATOM 947 O THR A 85 -4.851 6.871 3.853 1.00 0.00 O ATOM 948 CB THR A 85 -1.654 7.921 3.564 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.550 9.171 4.233 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.444 7.747 2.690 1.00 0.00 C ATOM 0 H THR A 85 -2.269 9.641 1.829 1.00 0.00 H new ATOM 0 HA THR A 85 -2.963 6.930 2.159 1.00 0.00 H new ATOM 0 HB THR A 85 -1.696 7.110 4.292 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.366 9.019 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.457 7.793 3.302 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.493 6.780 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.417 8.541 1.944 1.00 0.00 H new ATOM 958 N ILE A 86 -4.495 9.067 4.158 1.00 0.00 N ATOM 959 CA ILE A 86 -5.645 9.277 5.023 1.00 0.00 C ATOM 960 C ILE A 86 -6.945 9.034 4.265 1.00 0.00 C ATOM 961 O ILE A 86 -7.911 8.507 4.822 1.00 0.00 O ATOM 962 CB ILE A 86 -5.616 10.665 5.728 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.399 11.782 4.712 1.00 0.00 C ATOM 964 CG2 ILE A 86 -4.555 10.695 6.810 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.081 13.130 5.295 1.00 0.00 C ATOM 0 H ILE A 86 -3.960 9.915 3.971 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.591 8.540 5.825 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.583 10.829 6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.586 11.492 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.296 11.872 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.552 11.674 7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.771 9.927 7.553 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.578 10.505 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.945 13.852 4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.901 13.452 5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.165 13.065 5.882 1.00 0.00 H new ATOM 977 N LEU A 87 -6.973 9.444 3.002 1.00 0.00 N ATOM 978 CA LEU A 87 -8.116 9.186 2.124 1.00 0.00 C ATOM 979 C LEU A 87 -8.380 7.708 1.974 1.00 0.00 C ATOM 980 O LEU A 87 -9.524 7.258 2.084 1.00 0.00 O ATOM 981 CB LEU A 87 -7.851 9.745 0.738 1.00 0.00 C ATOM 982 CG LEU A 87 -8.231 11.177 0.491 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.713 11.595 -0.883 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.741 11.272 0.514 1.00 0.00 C ATOM 0 H LEU A 87 -6.213 9.960 2.558 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.980 9.668 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.787 9.637 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.383 9.125 0.016 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.802 11.829 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.983 12.634 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.628 11.492 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.157 10.959 -1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.043 12.304 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.158 10.633 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.111 10.947 1.486 1.00 0.00 H new ATOM 996 N ALA A 88 -7.324 6.957 1.782 1.00 0.00 N ATOM 997 CA ALA A 88 -7.439 5.545 1.589 1.00 0.00 C ATOM 998 C ALA A 88 -7.855 4.857 2.874 1.00 0.00 C ATOM 999 O ALA A 88 -8.772 4.076 2.872 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.159 4.975 0.991 1.00 0.00 C ATOM 0 H ALA A 88 -6.368 7.311 1.756 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.231 5.350 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.269 3.899 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.966 5.447 0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.324 5.171 1.664 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.230 5.216 3.983 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.577 4.637 5.290 1.00 0.00 C ATOM 1008 C VAL A 89 -9.079 4.845 5.612 1.00 0.00 C ATOM 1009 O VAL A 89 -9.795 3.913 5.932 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.708 5.253 6.434 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -7.150 4.741 7.794 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -5.234 4.939 6.224 1.00 0.00 C ATOM 0 H VAL A 89 -6.478 5.905 4.014 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.372 3.568 5.231 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.848 6.334 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.528 5.186 8.570 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.192 5.012 7.964 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.048 3.656 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.650 5.378 7.033 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.090 3.859 6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.905 5.355 5.272 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.520 6.050 5.423 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.892 6.511 5.732 1.00 0.00 C ATOM 1024 C ASP A 90 -11.952 5.781 4.925 1.00 0.00 C ATOM 1025 O ASP A 90 -13.058 5.529 5.409 1.00 0.00 O ATOM 1026 CB ASP A 90 -10.984 8.033 5.481 1.00 0.00 C ATOM 1027 CG ASP A 90 -12.389 8.635 5.557 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.980 8.697 6.674 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -12.896 9.124 4.503 1.00 0.00 O ATOM 0 H ASP A 90 -8.933 6.789 5.035 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.089 6.287 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.351 8.541 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.571 8.246 4.495 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.616 5.433 3.726 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.577 4.815 2.827 1.00 0.00 C ATOM 1036 C ASN A 91 -12.441 3.289 2.793 1.00 0.00 C ATOM 1037 O ASN A 91 -13.433 2.570 2.659 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.384 5.384 1.432 1.00 0.00 C ATOM 1039 CG ASN A 91 -13.512 5.071 0.460 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -13.514 4.060 -0.234 1.00 0.00 O ATOM 1041 ND2 ASN A 91 -14.456 5.968 0.377 1.00 0.00 N ATOM 0 H ASN A 91 -10.684 5.560 3.331 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.578 5.039 3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.276 6.466 1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -11.451 4.998 1.022 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.226 5.839 -0.280 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -14.424 6.798 0.969 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.225 2.809 2.994 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.900 1.389 2.800 1.00 0.00 C ATOM 1050 C LEU A 92 -11.004 0.609 4.056 1.00 0.00 C ATOM 1051 O LEU A 92 -11.257 -0.597 4.027 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.494 1.234 2.267 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.292 1.370 0.786 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.852 1.721 0.524 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.612 0.050 0.118 1.00 0.00 C ATOM 0 H LEU A 92 -10.435 3.380 3.294 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.628 1.004 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.864 1.974 2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.128 0.252 2.567 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.944 2.149 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.692 1.823 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.611 2.663 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.209 0.932 0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.467 0.142 -0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.952 -0.725 0.508 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.648 -0.220 0.323 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.753 1.249 5.159 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.839 0.562 6.412 1.00 0.00 C ATOM 1069 C ASN A 93 -12.294 0.177 6.644 1.00 0.00 C ATOM 1070 O ASN A 93 -13.179 1.029 6.580 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.336 1.468 7.513 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.266 0.798 8.856 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -10.049 -0.412 8.962 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -10.405 1.562 9.877 1.00 0.00 N ATOM 0 H ASN A 93 -10.490 2.233 5.217 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.225 -0.339 6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.345 1.834 7.247 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.989 2.338 7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.337 1.174 10.818 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.584 2.558 9.748 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.540 -1.089 6.872 1.00 0.00 N ATOM 1082 CA GLY A 94 -13.900 -1.551 7.049 1.00 0.00 C ATOM 1083 C GLY A 94 -14.607 -1.821 5.714 1.00 0.00 C ATOM 1084 O GLY A 94 -15.784 -2.221 5.691 1.00 0.00 O ATOM 0 H GLY A 94 -11.826 -1.814 6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.896 -2.463 7.645 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.463 -0.806 7.611 1.00 0.00 H new ATOM 1088 N PHE A 95 -13.909 -1.590 4.615 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.462 -1.781 3.284 1.00 0.00 C ATOM 1090 C PHE A 95 -14.210 -3.214 2.832 1.00 0.00 C ATOM 1091 O PHE A 95 -13.134 -3.756 3.051 1.00 0.00 O ATOM 1092 CB PHE A 95 -13.846 -0.769 2.304 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.396 -0.819 0.912 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -15.505 -0.084 0.570 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -13.801 -1.601 -0.050 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -16.008 -0.134 -0.710 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -14.304 -1.652 -1.324 1.00 0.00 C ATOM 1098 CZ PHE A 95 -15.409 -0.919 -1.655 1.00 0.00 C ATOM 0 H PHE A 95 -12.942 -1.265 4.620 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.538 -1.609 3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -13.995 0.235 2.701 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.770 -0.938 2.260 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -15.986 0.538 1.311 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -12.926 -2.182 0.202 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -16.879 0.449 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -13.826 -2.273 -2.068 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.807 -0.960 -2.658 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.196 -3.814 2.212 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.109 -5.204 1.814 1.00 0.00 C ATOM 1110 C LYS A 96 -14.590 -5.366 0.396 1.00 0.00 C ATOM 1111 O LYS A 96 -15.193 -4.871 -0.563 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.462 -5.943 1.956 1.00 0.00 C ATOM 1113 CG LYS A 96 -17.007 -6.118 3.383 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.474 -4.809 4.010 1.00 0.00 C ATOM 1115 CE LYS A 96 -18.095 -5.029 5.380 1.00 0.00 C ATOM 1116 NZ LYS A 96 -19.303 -5.874 5.311 1.00 0.00 N ATOM 0 H LYS A 96 -16.076 -3.360 1.969 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.393 -5.658 2.499 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.207 -5.404 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.359 -6.931 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.839 -6.822 3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.232 -6.558 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.629 -4.127 4.100 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.201 -4.331 3.354 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -17.363 -5.496 6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.351 -4.066 5.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.902 -5.692 6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.834 -5.650 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.025 -6.876 5.298 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.469 -6.028 0.280 1.00 0.00 N ATOM 1131 CA ILE A 97 -12.906 -6.409 -0.994 1.00 0.00 C ATOM 1132 C ILE A 97 -12.640 -7.897 -0.910 1.00 0.00 C ATOM 1133 O ILE A 97 -12.233 -8.385 0.148 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.561 -5.660 -1.290 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -11.786 -4.153 -1.309 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -10.946 -6.121 -2.609 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.557 -3.330 -1.631 1.00 0.00 C ATOM 0 H ILE A 97 -12.910 -6.324 1.080 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.596 -6.150 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.861 -5.903 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.560 -3.925 -2.041 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.167 -3.845 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.015 -5.582 -2.784 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.743 -7.191 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.641 -5.920 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -10.815 -2.271 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.785 -3.522 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.184 -3.603 -2.618 1.00 0.00 H new ATOM 1149 N GLY A 98 -12.866 -8.619 -1.993 1.00 0.00 N ATOM 1150 CA GLY A 98 -12.643 -10.053 -2.012 1.00 0.00 C ATOM 1151 C GLY A 98 -13.457 -10.809 -0.968 1.00 0.00 C ATOM 1152 O GLY A 98 -13.083 -11.912 -0.564 1.00 0.00 O ATOM 0 H GLY A 98 -13.205 -8.233 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.889 -10.438 -3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.584 -10.250 -1.848 1.00 0.00 H new ATOM 1156 N GLY A 99 -14.536 -10.208 -0.511 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.397 -10.835 0.466 1.00 0.00 C ATOM 1158 C GLY A 99 -14.966 -10.583 1.906 1.00 0.00 C ATOM 1159 O GLY A 99 -15.476 -11.219 2.821 1.00 0.00 O ATOM 0 H GLY A 99 -14.838 -9.279 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.415 -10.469 0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.418 -11.909 0.284 1.00 0.00 H new ATOM 1163 N ARG A 100 -14.030 -9.678 2.123 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.574 -9.387 3.475 1.00 0.00 C ATOM 1165 C ARG A 100 -13.332 -7.911 3.682 1.00 0.00 C ATOM 1166 O ARG A 100 -12.980 -7.199 2.751 1.00 0.00 O ATOM 1167 CB ARG A 100 -12.333 -10.201 3.824 1.00 0.00 C ATOM 1168 CG ARG A 100 -11.208 -10.114 2.807 1.00 0.00 C ATOM 1169 CD ARG A 100 -10.043 -10.970 3.234 1.00 0.00 C ATOM 1170 NE ARG A 100 -10.461 -12.349 3.524 1.00 0.00 N ATOM 1171 CZ ARG A 100 -9.713 -13.262 4.153 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -8.435 -13.020 4.418 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -10.244 -14.429 4.495 1.00 0.00 N ATOM 0 H ARG A 100 -13.573 -9.135 1.391 1.00 0.00 H new ATOM 0 HA ARG A 100 -14.373 -9.682 4.155 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.957 -9.867 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.621 -11.246 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.567 -10.439 1.830 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.886 -9.078 2.700 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.288 -10.976 2.448 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.578 -10.537 4.119 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.394 -12.631 3.222 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.016 -12.132 4.142 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.872 -13.722 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -11.221 -14.628 4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.676 -15.127 4.975 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.547 -7.461 4.893 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.372 -6.073 5.241 1.00 0.00 C ATOM 1189 C ALA A 101 -11.914 -5.767 5.538 1.00 0.00 C ATOM 1190 O ALA A 101 -11.330 -6.333 6.462 1.00 0.00 O ATOM 1191 CB ALA A 101 -14.243 -5.715 6.429 1.00 0.00 C ATOM 0 H ALA A 101 -13.850 -8.050 5.669 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.677 -5.466 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -14.101 -4.664 6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.289 -5.890 6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.966 -6.333 7.283 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.350 -4.892 4.745 1.00 0.00 N ATOM 1198 CA LEU A 102 -9.979 -4.442 4.875 1.00 0.00 C ATOM 1199 C LEU A 102 -9.718 -3.661 6.134 1.00 0.00 C ATOM 1200 O LEU A 102 -10.609 -3.006 6.692 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.546 -3.613 3.673 1.00 0.00 C ATOM 1202 CG LEU A 102 -8.933 -4.373 2.513 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.637 -3.422 1.377 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.649 -5.027 2.975 1.00 0.00 C ATOM 0 H LEU A 102 -11.844 -4.457 3.966 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.386 -5.355 4.926 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.415 -3.069 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.825 -2.870 4.013 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.631 -5.135 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.197 -3.973 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.562 -2.948 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.938 -2.657 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.202 -5.576 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.954 -4.261 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.865 -5.716 3.792 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.514 -3.768 6.605 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.063 -3.012 7.723 1.00 0.00 C ATOM 1218 C LYS A 103 -6.954 -2.095 7.272 1.00 0.00 C ATOM 1219 O LYS A 103 -5.965 -2.549 6.761 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.580 -3.926 8.856 1.00 0.00 C ATOM 1221 CG LYS A 103 -6.913 -3.204 10.028 1.00 0.00 C ATOM 1222 CD LYS A 103 -7.859 -2.256 10.747 1.00 0.00 C ATOM 1223 CE LYS A 103 -7.133 -1.553 11.883 1.00 0.00 C ATOM 1224 NZ LYS A 103 -8.017 -0.694 12.694 1.00 0.00 N ATOM 0 H LYS A 103 -7.809 -4.394 6.215 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.893 -2.424 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.431 -4.492 9.234 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.875 -4.648 8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.536 -3.941 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.052 -2.644 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.251 -1.520 10.045 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.713 -2.809 11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.672 -2.300 12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.327 -0.947 11.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.464 -0.243 13.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.438 0.040 12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.772 -1.272 13.114 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.126 -0.817 7.420 1.00 0.00 N ATOM 1239 CA ILE A 104 -6.076 0.094 7.035 1.00 0.00 C ATOM 1240 C ILE A 104 -5.704 0.888 8.257 1.00 0.00 C ATOM 1241 O ILE A 104 -6.590 1.327 9.003 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.499 1.095 5.932 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.462 0.466 4.921 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.253 1.587 5.199 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.897 -0.683 4.104 1.00 0.00 C ATOM 0 H ILE A 104 -7.967 -0.380 7.798 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.253 -0.498 6.634 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.018 1.923 6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.341 0.109 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.800 1.244 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.544 2.292 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.586 2.081 5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.738 0.739 4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.661 -1.054 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.037 -0.334 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.587 -1.486 4.772 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.443 1.050 8.494 1.00 0.00 N ATOM 1258 CA ASP A 105 -3.977 1.783 9.644 1.00 0.00 C ATOM 1259 C ASP A 105 -2.738 2.560 9.271 1.00 0.00 C ATOM 1260 O ASP A 105 -2.040 2.183 8.343 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.672 0.810 10.789 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.428 1.514 12.092 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -4.342 2.230 12.556 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -2.342 1.354 12.693 1.00 0.00 O ATOM 0 H ASP A 105 -3.700 0.681 7.900 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.748 2.479 9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.506 0.117 10.905 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.796 0.215 10.532 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.485 3.643 9.946 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.287 4.426 9.689 1.00 0.00 C ATOM 1271 C HIS A 106 -0.115 3.843 10.439 1.00 0.00 C ATOM 1272 O HIS A 106 -0.246 3.448 11.596 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.487 5.898 10.042 1.00 0.00 C ATOM 1274 CG HIS A 106 -1.622 6.774 8.841 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -2.821 7.233 8.337 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -0.662 7.278 8.031 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -2.555 7.972 7.260 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -1.257 8.036 7.033 1.00 0.00 N ATOM 0 H HIS A 106 -3.086 4.014 10.682 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.077 4.380 8.620 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.379 5.999 10.661 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.643 6.240 10.641 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -3.747 7.041 8.720 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.400 7.116 8.144 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -3.305 8.456 6.652 1.00 0.00 H new ATOM 1286 N THR A 107 1.014 3.776 9.799 1.00 0.00 N ATOM 1287 CA THR A 107 2.166 3.187 10.395 1.00 0.00 C ATOM 1288 C THR A 107 3.399 3.786 9.726 1.00 0.00 C ATOM 1289 O THR A 107 3.299 4.313 8.616 1.00 0.00 O ATOM 1290 CB THR A 107 2.160 1.616 10.180 1.00 0.00 C ATOM 1291 OG1 THR A 107 3.162 0.995 10.991 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.453 1.266 8.715 1.00 0.00 C ATOM 0 H THR A 107 1.158 4.128 8.853 1.00 0.00 H new ATOM 0 HA THR A 107 2.170 3.386 11.467 1.00 0.00 H new ATOM 0 HB THR A 107 1.171 1.253 10.459 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.144 0.026 10.848 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.444 0.183 8.591 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.691 1.711 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.433 1.655 8.437 1.00 0.00 H new ATOM 1300 N PHE A 108 4.526 3.768 10.388 1.00 0.00 N ATOM 1301 CA PHE A 108 5.726 4.093 9.696 1.00 0.00 C ATOM 1302 C PHE A 108 6.390 2.789 9.296 1.00 0.00 C ATOM 1303 O PHE A 108 6.838 2.002 10.133 1.00 0.00 O ATOM 1304 CB PHE A 108 6.654 5.036 10.519 1.00 0.00 C ATOM 1305 CG PHE A 108 6.761 4.739 12.005 1.00 0.00 C ATOM 1306 CD1 PHE A 108 7.692 3.842 12.493 1.00 0.00 C ATOM 1307 CD2 PHE A 108 5.930 5.385 12.907 1.00 0.00 C ATOM 1308 CE1 PHE A 108 7.794 3.590 13.847 1.00 0.00 C ATOM 1309 CE2 PHE A 108 6.024 5.136 14.262 1.00 0.00 C ATOM 1310 CZ PHE A 108 6.958 4.238 14.733 1.00 0.00 C ATOM 0 H PHE A 108 4.630 3.538 11.376 1.00 0.00 H new ATOM 0 HA PHE A 108 5.499 4.670 8.799 1.00 0.00 H new ATOM 0 HB2 PHE A 108 7.654 4.994 10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.297 6.059 10.398 1.00 0.00 H new ATOM 0 HD1 PHE A 108 8.349 3.331 11.806 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.199 6.093 12.545 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.527 2.886 14.212 1.00 0.00 H new ATOM 0 HE2 PHE A 108 5.367 5.644 14.952 1.00 0.00 H new ATOM 0 HZ PHE A 108 7.035 4.042 15.792 1.00 0.00 H new ATOM 1320 N TYR A 109 6.374 2.532 8.026 1.00 0.00 N ATOM 1321 CA TYR A 109 6.922 1.328 7.487 1.00 0.00 C ATOM 1322 C TYR A 109 8.197 1.623 6.749 1.00 0.00 C ATOM 1323 O TYR A 109 8.271 2.596 5.999 1.00 0.00 O ATOM 1324 CB TYR A 109 5.888 0.651 6.581 1.00 0.00 C ATOM 1325 CG TYR A 109 6.248 -0.737 6.058 1.00 0.00 C ATOM 1326 CD1 TYR A 109 7.129 -0.902 4.998 1.00 0.00 C ATOM 1327 CD2 TYR A 109 5.668 -1.877 6.603 1.00 0.00 C ATOM 1328 CE1 TYR A 109 7.423 -2.140 4.497 1.00 0.00 C ATOM 1329 CE2 TYR A 109 5.964 -3.134 6.111 1.00 0.00 C ATOM 1330 CZ TYR A 109 6.840 -3.262 5.055 1.00 0.00 C ATOM 1331 OH TYR A 109 7.123 -4.508 4.547 1.00 0.00 O ATOM 0 H TYR A 109 5.976 3.159 7.327 1.00 0.00 H new ATOM 0 HA TYR A 109 7.163 0.641 8.298 1.00 0.00 H new ATOM 0 HB2 TYR A 109 4.950 0.576 7.130 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.706 1.301 5.726 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.593 -0.032 4.558 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.974 -1.778 7.425 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.108 -2.241 3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.512 -4.010 6.551 1.00 0.00 H new ATOM 0 HH TYR A 109 6.632 -5.187 5.054 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.395 15.021 -4.686 1.00 0.00 N ATOM 1498 CA ILE B 226 -6.121 14.547 -5.191 1.00 0.00 C ATOM 1499 C ILE B 226 -6.348 13.769 -6.490 1.00 0.00 C ATOM 1500 O ILE B 226 -7.359 13.065 -6.628 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.357 13.647 -4.132 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.858 14.458 -2.930 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -4.211 12.866 -4.730 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.889 14.709 -1.877 1.00 0.00 C ATOM 0 HA ILE B 226 -5.490 15.414 -5.385 1.00 0.00 H new ATOM 0 HB ILE B 226 -6.102 12.931 -3.786 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -4.017 13.933 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.481 15.417 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.731 12.271 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.589 12.206 -5.511 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.485 13.556 -5.159 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -5.448 15.289 -1.066 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.722 15.264 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.250 13.757 -1.487 1.00 0.00 H new ATOM 1516 N MET B 227 -5.446 13.943 -7.450 1.00 0.00 N ATOM 1517 CA MET B 227 -5.514 13.226 -8.711 1.00 0.00 C ATOM 1518 C MET B 227 -5.216 11.744 -8.496 1.00 0.00 C ATOM 1519 O MET B 227 -4.336 11.389 -7.709 1.00 0.00 O ATOM 1520 CB MET B 227 -4.547 13.826 -9.747 1.00 0.00 C ATOM 1521 CG MET B 227 -4.912 15.230 -10.202 1.00 0.00 C ATOM 1522 SD MET B 227 -3.748 15.909 -11.413 1.00 0.00 S ATOM 1523 CE MET B 227 -4.460 17.535 -11.679 1.00 0.00 C ATOM 0 H MET B 227 -4.654 14.581 -7.374 1.00 0.00 H new ATOM 0 HA MET B 227 -6.526 13.327 -9.102 1.00 0.00 H new ATOM 0 HB2 MET B 227 -3.543 13.843 -9.323 1.00 0.00 H new ATOM 0 HB3 MET B 227 -4.514 13.171 -10.618 1.00 0.00 H new ATOM 0 HG2 MET B 227 -5.912 15.217 -10.636 1.00 0.00 H new ATOM 0 HG3 MET B 227 -4.950 15.889 -9.334 1.00 0.00 H new ATOM 0 HE1 MET B 227 -3.857 18.082 -12.403 1.00 0.00 H new ATOM 0 HE2 MET B 227 -5.476 17.430 -12.059 1.00 0.00 H new ATOM 0 HE3 MET B 227 -4.480 18.082 -10.736 1.00 0.00 H new ATOM 1533 N PRO B 228 -5.962 10.863 -9.169 1.00 0.00 N ATOM 1534 CA PRO B 228 -5.799 9.418 -9.027 1.00 0.00 C ATOM 1535 C PRO B 228 -4.478 8.905 -9.618 1.00 0.00 C ATOM 1536 O PRO B 228 -3.853 9.560 -10.469 1.00 0.00 O ATOM 1537 CB PRO B 228 -6.990 8.848 -9.800 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.315 9.896 -10.804 1.00 0.00 C ATOM 1539 CD PRO B 228 -7.035 11.202 -10.126 1.00 0.00 C ATOM 0 HA PRO B 228 -5.768 9.118 -7.979 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -6.737 7.903 -10.280 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -7.836 8.654 -9.140 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -6.707 9.782 -11.701 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -8.358 9.831 -11.115 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -6.715 11.964 -10.837 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -7.919 11.590 -9.619 1.00 0.00 H new ATOM 1547 N GLY B 229 -4.071 7.745 -9.164 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.847 7.132 -9.615 1.00 0.00 C ATOM 1549 C GLY B 229 -2.967 6.537 -10.995 1.00 0.00 C ATOM 1550 O GLY B 229 -4.077 6.386 -11.530 1.00 0.00 O ATOM 0 H GLY B 229 -4.581 7.199 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -2.051 7.876 -9.613 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.556 6.352 -8.912 1.00 0.00 H new ATOM 1554 N SER B 230 -1.845 6.169 -11.560 1.00 0.00 N ATOM 1555 CA SER B 230 -1.786 5.631 -12.899 1.00 0.00 C ATOM 1556 C SER B 230 -2.240 4.156 -12.904 1.00 0.00 C ATOM 1557 O SER B 230 -2.557 3.587 -13.951 1.00 0.00 O ATOM 1558 CB SER B 230 -0.352 5.787 -13.460 1.00 0.00 C ATOM 1559 OG SER B 230 -0.290 5.549 -14.863 1.00 0.00 O ATOM 0 H SER B 230 -0.937 6.234 -11.100 1.00 0.00 H new ATOM 0 HA SER B 230 -2.466 6.186 -13.545 1.00 0.00 H new ATOM 0 HB2 SER B 230 0.011 6.793 -13.248 1.00 0.00 H new ATOM 0 HB3 SER B 230 0.314 5.093 -12.947 1.00 0.00 H new ATOM 0 HG SER B 230 0.633 5.660 -15.173 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.310 3.556 -11.729 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.710 2.155 -11.606 1.00 0.00 C ATOM 1567 C ARG B 231 -4.231 2.023 -11.517 1.00 0.00 C ATOM 1568 O ARG B 231 -4.764 0.916 -11.467 1.00 0.00 O ATOM 1569 CB ARG B 231 -2.069 1.537 -10.368 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.559 1.625 -10.341 1.00 0.00 C ATOM 1571 CD ARG B 231 0.081 0.787 -11.428 1.00 0.00 C ATOM 1572 NE ARG B 231 1.546 0.862 -11.380 1.00 0.00 N ATOM 1573 CZ ARG B 231 2.377 0.132 -12.137 1.00 0.00 C ATOM 1574 NH1 ARG B 231 1.887 -0.729 -13.016 1.00 0.00 N ATOM 1575 NH2 ARG B 231 3.695 0.265 -12.007 1.00 0.00 N ATOM 0 H ARG B 231 -2.096 4.013 -10.842 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.369 1.626 -12.496 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.466 2.032 -9.482 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.362 0.489 -10.306 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.255 2.665 -10.460 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.195 1.295 -9.368 1.00 0.00 H new ATOM 0 HD2 ARG B 231 -0.234 -0.251 -11.320 1.00 0.00 H new ATOM 0 HD3 ARG B 231 -0.269 1.127 -12.403 1.00 0.00 H new ATOM 0 HE ARG B 231 1.963 1.519 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG B 231 0.878 -0.836 -13.117 1.00 0.00 H new ATOM 0 HH12 ARG B 231 2.519 -1.285 -13.592 1.00 0.00 H new ATOM 0 HH21 ARG B 231 4.077 0.925 -11.329 1.00 0.00 H new ATOM 0 HH22 ARG B 231 4.323 -0.293 -12.585 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.916 3.153 -11.482 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.356 3.173 -11.380 1.00 0.00 C ATOM 1591 C TRP B 232 -7.008 2.799 -12.675 1.00 0.00 C ATOM 1592 O TRP B 232 -6.697 3.328 -13.752 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.890 4.536 -10.881 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.388 4.566 -10.617 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.128 3.615 -9.973 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.312 5.610 -10.958 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.441 3.994 -9.903 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.583 5.211 -10.492 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.194 6.834 -11.611 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.719 5.994 -10.655 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.324 7.610 -11.771 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.570 7.188 -11.295 1.00 0.00 C ATOM 0 H TRP B 232 -4.487 4.077 -11.524 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.619 2.422 -10.635 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.366 4.804 -9.963 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.648 5.300 -11.620 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.732 2.693 -9.575 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.192 3.451 -9.477 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.238 7.169 -11.985 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.682 5.669 -10.289 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.245 8.562 -12.274 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.432 7.822 -11.438 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.866 1.880 -12.551 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.724 1.443 -13.572 1.00 0.00 C ATOM 1615 C ASP B 233 -10.069 1.596 -12.967 1.00 0.00 C ATOM 1616 O ASP B 233 -10.145 1.510 -11.775 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.452 -0.014 -13.914 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.325 -0.518 -15.028 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -9.244 0.019 -16.148 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -10.108 -1.458 -14.806 1.00 0.00 O ATOM 0 H ASP B 233 -8.001 1.375 -11.675 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.605 1.998 -14.502 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.406 -0.128 -14.197 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.611 -0.627 -13.027 1.00 0.00 H new ATOM 1625 N GLY B 234 -11.054 1.907 -13.778 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.500 2.144 -13.451 1.00 0.00 C ATOM 1627 C GLY B 234 -13.136 1.218 -12.416 1.00 0.00 C ATOM 1628 O GLY B 234 -14.090 0.475 -12.685 1.00 0.00 O ATOM 0 H GLY B 234 -10.882 2.018 -14.777 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.604 3.170 -13.098 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -13.074 2.065 -14.374 1.00 0.00 H new ATOM 1714 N GLY B 240 -18.778 1.918 2.721 1.00 0.00 N ATOM 1715 CA GLY B 240 -20.105 1.541 3.115 1.00 0.00 C ATOM 1716 C GLY B 240 -20.997 1.356 1.921 1.00 0.00 C ATOM 1717 O GLY B 240 -22.130 1.732 1.946 1.00 0.00 O ATOM 0 HA2 GLY B 240 -20.067 0.616 3.690 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -20.523 2.306 3.769 1.00 0.00 H new ATOM 1721 N PHE B 241 -20.469 0.778 0.877 1.00 0.00 N ATOM 1722 CA PHE B 241 -21.215 0.551 -0.366 1.00 0.00 C ATOM 1723 C PHE B 241 -22.515 -0.248 -0.135 1.00 0.00 C ATOM 1724 O PHE B 241 -23.532 0.016 -0.768 1.00 0.00 O ATOM 1725 CB PHE B 241 -20.319 -0.143 -1.422 1.00 0.00 C ATOM 1726 CG PHE B 241 -19.835 -1.541 -1.050 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -18.851 -1.732 -0.091 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -20.364 -2.652 -1.674 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -18.412 -3.001 0.232 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -19.931 -3.924 -1.355 1.00 0.00 C ATOM 1731 CZ PHE B 241 -18.954 -4.099 -0.402 1.00 0.00 C ATOM 0 H PHE B 241 -19.506 0.444 0.848 1.00 0.00 H new ATOM 0 HA PHE B 241 -21.510 1.529 -0.746 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -20.872 -0.206 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -19.449 0.487 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -18.422 -0.877 0.410 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -21.130 -2.525 -2.425 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -17.645 -3.133 0.981 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -20.359 -4.781 -1.853 1.00 0.00 H new ATOM 0 HZ PHE B 241 -18.613 -5.093 -0.152 1.00 0.00 H new ATOM 1741 N GLU B 242 -22.486 -1.161 0.819 1.00 0.00 N ATOM 1742 CA GLU B 242 -23.622 -2.028 1.090 1.00 0.00 C ATOM 1743 C GLU B 242 -24.832 -1.241 1.595 1.00 0.00 C ATOM 1744 O GLU B 242 -25.964 -1.498 1.166 1.00 0.00 O ATOM 1745 CB GLU B 242 -23.245 -3.137 2.060 1.00 0.00 C ATOM 1746 CG GLU B 242 -22.107 -4.010 1.583 1.00 0.00 C ATOM 1747 CD GLU B 242 -21.670 -5.000 2.626 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -20.891 -4.618 3.527 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -22.085 -6.173 2.567 1.00 0.00 O ATOM 0 H GLU B 242 -21.681 -1.323 1.425 1.00 0.00 H new ATOM 0 HA GLU B 242 -23.909 -2.489 0.145 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -22.971 -2.692 3.017 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -24.119 -3.763 2.238 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -22.415 -4.545 0.684 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -21.261 -3.381 1.306 1.00 0.00 H new ATOM 1756 N GLU B 243 -24.598 -0.258 2.467 1.00 0.00 N ATOM 1757 CA GLU B 243 -25.690 0.570 2.975 1.00 0.00 C ATOM 1758 C GLU B 243 -26.277 1.402 1.849 1.00 0.00 C ATOM 1759 O GLU B 243 -27.460 1.636 1.808 1.00 0.00 O ATOM 1760 CB GLU B 243 -25.263 1.490 4.139 1.00 0.00 C ATOM 1761 CG GLU B 243 -24.163 2.467 3.780 1.00 0.00 C ATOM 1762 CD GLU B 243 -23.815 3.442 4.868 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -23.205 3.039 5.871 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -24.143 4.647 4.736 1.00 0.00 O ATOM 0 H GLU B 243 -23.676 -0.019 2.831 1.00 0.00 H new ATOM 0 HA GLU B 243 -26.442 -0.112 3.371 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -26.133 2.049 4.485 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -24.929 0.873 4.973 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -23.268 1.905 3.514 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -24.465 3.024 2.893 1.00 0.00 H new ATOM 1771 N LYS B 244 -25.425 1.826 0.931 1.00 0.00 N ATOM 1772 CA LYS B 244 -25.820 2.675 -0.170 1.00 0.00 C ATOM 1773 C LYS B 244 -26.767 1.932 -1.106 1.00 0.00 C ATOM 1774 O LYS B 244 -27.798 2.469 -1.530 1.00 0.00 O ATOM 1775 CB LYS B 244 -24.579 3.119 -0.921 1.00 0.00 C ATOM 1776 CG LYS B 244 -23.475 3.619 -0.008 1.00 0.00 C ATOM 1777 CD LYS B 244 -23.882 4.837 0.789 1.00 0.00 C ATOM 1778 CE LYS B 244 -22.770 5.295 1.718 1.00 0.00 C ATOM 1779 NZ LYS B 244 -23.228 6.345 2.660 1.00 0.00 N ATOM 0 H LYS B 244 -24.433 1.587 0.933 1.00 0.00 H new ATOM 0 HA LYS B 244 -26.345 3.548 0.218 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -24.202 2.285 -1.513 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -24.849 3.910 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -23.187 2.822 0.677 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -22.596 3.859 -0.606 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -24.145 5.647 0.108 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -24.774 4.609 1.373 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -22.395 4.441 2.282 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -21.938 5.677 1.126 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -22.427 6.959 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -23.973 6.915 2.210 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -23.606 5.899 3.520 1.00 0.00 H new ATOM 1793 N TRP B 245 -26.429 0.687 -1.389 1.00 0.00 N ATOM 1794 CA TRP B 245 -27.241 -0.166 -2.240 1.00 0.00 C ATOM 1795 C TRP B 245 -28.584 -0.404 -1.578 1.00 0.00 C ATOM 1796 O TRP B 245 -29.642 -0.332 -2.213 1.00 0.00 O ATOM 1797 CB TRP B 245 -26.542 -1.504 -2.466 1.00 0.00 C ATOM 1798 CG TRP B 245 -25.219 -1.423 -3.177 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -24.620 -0.319 -3.710 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -24.345 -2.511 -3.438 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -23.422 -0.656 -4.274 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -23.234 -2.005 -4.132 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -24.401 -3.867 -3.149 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -22.185 -2.818 -4.546 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -23.362 -4.678 -3.557 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -22.268 -4.152 -4.250 1.00 0.00 C ATOM 0 H TRP B 245 -25.584 0.238 -1.036 1.00 0.00 H new ATOM 0 HA TRP B 245 -27.385 0.325 -3.202 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -26.388 -1.983 -1.499 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -27.206 -2.150 -3.040 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -25.034 0.678 -3.689 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -22.775 -0.010 -4.726 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -25.243 -4.280 -2.614 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -21.338 -2.413 -5.080 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -23.394 -5.735 -3.338 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -21.471 -4.812 -4.559 1.00 0.00 H new ATOM 1817 N PHE B 246 -28.518 -0.630 -0.292 1.00 0.00 N ATOM 1818 CA PHE B 246 -29.665 -0.861 0.550 1.00 0.00 C ATOM 1819 C PHE B 246 -30.520 0.402 0.699 1.00 0.00 C ATOM 1820 O PHE B 246 -31.718 0.324 0.898 1.00 0.00 O ATOM 1821 CB PHE B 246 -29.172 -1.403 1.916 1.00 0.00 C ATOM 1822 CG PHE B 246 -30.039 -1.071 3.096 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -31.133 -1.846 3.430 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -29.745 0.041 3.870 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -31.915 -1.514 4.512 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -30.518 0.375 4.944 1.00 0.00 C ATOM 1827 CZ PHE B 246 -31.605 -0.398 5.269 1.00 0.00 C ATOM 0 H PHE B 246 -27.634 -0.660 0.216 1.00 0.00 H new ATOM 0 HA PHE B 246 -30.316 -1.604 0.088 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -29.084 -2.487 1.846 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -28.171 -1.013 2.102 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -31.375 -2.717 2.839 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -28.891 0.653 3.619 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -32.769 -2.123 4.770 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -30.275 1.245 5.536 1.00 0.00 H new ATOM 0 HZ PHE B 246 -32.219 -0.135 6.117 1.00 0.00 H new ATOM 1837 N ALA B 247 -29.922 1.536 0.583 1.00 0.00 N ATOM 1838 CA ALA B 247 -30.641 2.764 0.754 1.00 0.00 C ATOM 1839 C ALA B 247 -31.485 3.093 -0.467 1.00 0.00 C ATOM 1840 O ALA B 247 -32.632 3.478 -0.338 1.00 0.00 O ATOM 1841 CB ALA B 247 -29.682 3.889 1.081 1.00 0.00 C ATOM 0 H ALA B 247 -28.931 1.646 0.369 1.00 0.00 H new ATOM 0 HA ALA B 247 -31.328 2.642 1.591 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -30.240 4.817 1.209 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -29.149 3.656 2.003 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -28.966 4.005 0.267 1.00 0.00 H new ATOM 1847 N LYS B 248 -30.959 2.847 -1.655 1.00 0.00 N ATOM 1848 CA LYS B 248 -31.657 3.259 -2.866 1.00 0.00 C ATOM 1849 C LYS B 248 -32.663 2.234 -3.324 1.00 0.00 C ATOM 1850 O LYS B 248 -33.541 2.527 -4.127 1.00 0.00 O ATOM 1851 CB LYS B 248 -30.671 3.601 -3.985 1.00 0.00 C ATOM 1852 CG LYS B 248 -29.854 2.432 -4.571 1.00 0.00 C ATOM 1853 CD LYS B 248 -30.636 1.661 -5.649 1.00 0.00 C ATOM 1854 CE LYS B 248 -29.767 0.692 -6.432 1.00 0.00 C ATOM 1855 NZ LYS B 248 -29.135 -0.348 -5.593 1.00 0.00 N ATOM 0 H LYS B 248 -30.069 2.374 -1.809 1.00 0.00 H new ATOM 0 HA LYS B 248 -32.214 4.162 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -31.228 4.068 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -29.973 4.348 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -28.929 2.817 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -29.573 1.749 -3.769 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -31.450 1.111 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -31.091 2.372 -6.339 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -30.375 0.209 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -28.988 1.252 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -28.895 -1.171 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -28.269 0.033 -5.161 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -29.796 -0.639 -4.845 1.00 0.00 H new ATOM 1869 N GLN B 249 -32.555 1.042 -2.781 1.00 0.00 N ATOM 1870 CA GLN B 249 -33.409 -0.093 -3.161 1.00 0.00 C ATOM 1871 C GLN B 249 -34.860 0.124 -2.738 1.00 0.00 C ATOM 1872 O GLN B 249 -35.733 -0.716 -2.991 1.00 0.00 O ATOM 1873 CB GLN B 249 -32.860 -1.384 -2.570 1.00 0.00 C ATOM 1874 CG GLN B 249 -32.935 -1.492 -1.082 1.00 0.00 C ATOM 1875 CD GLN B 249 -32.277 -2.744 -0.554 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -32.677 -3.283 0.472 1.00 0.00 O ATOM 1877 NE2 GLN B 249 -31.233 -3.200 -1.221 1.00 0.00 N ATOM 0 H GLN B 249 -31.872 0.818 -2.057 1.00 0.00 H new ATOM 0 HA GLN B 249 -33.399 -0.171 -4.248 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -33.403 -2.223 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -31.818 -1.487 -2.872 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -32.459 -0.620 -0.634 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -33.980 -1.478 -0.773 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -30.926 -2.728 -2.072 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -30.734 -4.024 -0.886 1.00 0.00 H new ATOM 1886 N ASN B 250 -35.099 1.256 -2.108 1.00 0.00 N ATOM 1887 CA ASN B 250 -36.431 1.645 -1.673 1.00 0.00 C ATOM 1888 C ASN B 250 -37.259 2.100 -2.872 1.00 0.00 C ATOM 1889 O ASN B 250 -38.487 2.152 -2.823 1.00 0.00 O ATOM 1890 CB ASN B 250 -36.385 2.780 -0.645 1.00 0.00 C ATOM 1891 CG ASN B 250 -36.129 4.143 -1.246 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -37.057 4.878 -1.574 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -34.901 4.479 -1.404 1.00 0.00 N ATOM 0 H ASN B 250 -34.374 1.937 -1.881 1.00 0.00 H new ATOM 0 HA ASN B 250 -36.887 0.773 -1.205 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -37.331 2.805 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -35.605 2.564 0.085 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -34.668 5.383 -1.814 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -34.157 3.842 -1.119 1.00 0.00 H new ATOM 1900 N GLU B 251 -36.565 2.465 -3.921 1.00 0.00 N ATOM 1901 CA GLU B 251 -37.169 2.933 -5.154 1.00 0.00 C ATOM 1902 C GLU B 251 -37.987 1.872 -5.857 1.00 0.00 C ATOM 1903 O GLU B 251 -37.680 0.678 -5.796 1.00 0.00 O ATOM 1904 CB GLU B 251 -36.116 3.488 -6.097 1.00 0.00 C ATOM 1905 CG GLU B 251 -35.557 4.820 -5.661 1.00 0.00 C ATOM 1906 CD GLU B 251 -36.621 5.883 -5.633 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -36.946 6.440 -6.706 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -37.185 6.160 -4.553 1.00 0.00 O ATOM 0 H GLU B 251 -35.546 2.447 -3.947 1.00 0.00 H new ATOM 0 HA GLU B 251 -37.857 3.729 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -35.300 2.770 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -36.550 3.593 -7.091 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -35.113 4.722 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -34.759 5.121 -6.340 1.00 0.00 H new ATOM 1915 N ILE B 252 -39.039 2.318 -6.501 1.00 0.00 N ATOM 1916 CA ILE B 252 -39.901 1.440 -7.281 1.00 0.00 C ATOM 1917 C ILE B 252 -39.542 1.489 -8.753 1.00 0.00 C ATOM 1918 O ILE B 252 -39.797 0.558 -9.494 1.00 0.00 O ATOM 1919 CB ILE B 252 -41.399 1.771 -7.115 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -41.672 3.260 -7.365 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -41.882 1.352 -5.743 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -43.130 3.643 -7.362 1.00 0.00 C ATOM 0 H ILE B 252 -39.328 3.296 -6.504 1.00 0.00 H new ATOM 0 HA ILE B 252 -39.733 0.435 -6.893 1.00 0.00 H new ATOM 0 HB ILE B 252 -41.956 1.207 -7.863 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -41.156 3.843 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -41.239 3.538 -8.326 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -42.940 1.592 -5.641 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -41.740 0.278 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -41.314 1.884 -4.979 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -43.225 4.713 -7.547 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -43.653 3.092 -8.144 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -43.568 3.401 -6.393 1.00 0.00 H new ATOM 1934 N ASN B 253 -38.978 2.592 -9.173 1.00 0.00 N ATOM 1935 CA ASN B 253 -38.543 2.760 -10.566 1.00 0.00 C ATOM 1936 C ASN B 253 -37.152 2.183 -10.740 1.00 0.00 C ATOM 1937 O ASN B 253 -36.769 1.738 -11.829 1.00 0.00 O ATOM 1938 CB ASN B 253 -38.562 4.242 -10.964 1.00 0.00 C ATOM 1939 CG ASN B 253 -37.616 5.078 -10.131 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -36.470 5.308 -10.498 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -38.081 5.494 -8.993 1.00 0.00 N ATOM 0 H ASN B 253 -38.801 3.401 -8.578 1.00 0.00 H new ATOM 0 HA ASN B 253 -39.234 2.226 -11.218 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -38.294 4.336 -12.016 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -39.575 4.630 -10.857 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -37.486 6.035 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -39.042 5.280 -8.726 1.00 0.00 H new ATOM 1948 N GLU B 254 -36.405 2.193 -9.671 1.00 0.00 N ATOM 1949 CA GLU B 254 -35.099 1.632 -9.645 1.00 0.00 C ATOM 1950 C GLU B 254 -35.121 0.265 -9.026 1.00 0.00 C ATOM 1951 O GLU B 254 -36.138 -0.156 -8.456 1.00 0.00 O ATOM 1952 CB GLU B 254 -34.125 2.548 -8.937 1.00 0.00 C ATOM 1953 CG GLU B 254 -33.593 3.642 -9.824 1.00 0.00 C ATOM 1954 CD GLU B 254 -32.633 4.551 -9.120 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -31.420 4.255 -9.109 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -33.053 5.598 -8.597 1.00 0.00 O ATOM 0 H GLU B 254 -36.699 2.600 -8.783 1.00 0.00 H new ATOM 0 HA GLU B 254 -34.754 1.526 -10.673 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -34.618 2.995 -8.074 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -33.291 1.958 -8.557 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -33.096 3.195 -10.685 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -34.427 4.230 -10.207 1.00 0.00 H new