USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=17 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 85 THR OG1 : rot -53:sc= 1.19 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -1.16 X(o=0.039,f=-0.12) 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= 0.699 K(o=0.7,f=-0.62) USER MOD Single : A 39 ASN : amide:sc= -3.96! C(o=-4!,f=-7.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 49 THR OG1 : rot 77:sc= 1.21 USER MOD Single : A 52 SER OG : rot 68:sc= 0.0263 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -175:sc= 1.19 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 76 TYR OH : rot -3:sc= 0.361 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -25:sc= 0.0586! USER MOD Single : A 82 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.6!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.94 USER MOD Single : A 91 ASN : amide:sc= -0.0502 K(o=-0.05,f=-0.85) USER MOD Single : A 93 ASN : amide:sc=-0.00422 K(o=-0.0042,f=-1) USER MOD Single : A 96 LYS NZ :NH3+ 178:sc= 0.361 (180deg=0.358) USER MOD Single : A 103 LYS NZ :NH3+ -169:sc= -0.0234 (180deg=-0.173) 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+ 180:sc= 0 (180deg=0) USER MOD Single : B 248 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Single : B 249 GLN :FLIP amide:sc= -0.485 F(o=-1.5,f=-0.48) USER MOD Single : B 250 ASN : amide:sc= 1.01 K(o=1,f=-0.43) USER MOD Single : B 253 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 4.052 8.935 4.310 1.00 0.00 N ATOM 102 CA ALA A 31 3.175 8.432 3.292 1.00 0.00 C ATOM 103 C ALA A 31 2.979 6.932 3.402 1.00 0.00 C ATOM 104 O ALA A 31 2.442 6.310 2.485 1.00 0.00 O ATOM 105 CB ALA A 31 3.760 8.764 1.943 1.00 0.00 C ATOM 0 HA ALA A 31 2.199 8.901 3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.103 8.387 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.859 9.845 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.742 8.300 1.848 1.00 0.00 H new ATOM 111 N TYR A 32 3.390 6.360 4.507 1.00 0.00 N ATOM 112 CA TYR A 32 3.336 4.920 4.665 1.00 0.00 C ATOM 113 C TYR A 32 2.053 4.531 5.380 1.00 0.00 C ATOM 114 O TYR A 32 1.584 5.267 6.252 1.00 0.00 O ATOM 115 CB TYR A 32 4.530 4.433 5.503 1.00 0.00 C ATOM 116 CG TYR A 32 5.900 4.935 5.058 1.00 0.00 C ATOM 117 CD1 TYR A 32 6.240 5.027 3.719 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.847 5.328 5.995 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.479 5.490 3.325 1.00 0.00 C ATOM 120 CE2 TYR A 32 8.089 5.793 5.609 1.00 0.00 C ATOM 121 CZ TYR A 32 8.398 5.871 4.271 1.00 0.00 C ATOM 122 OH TYR A 32 9.634 6.338 3.874 1.00 0.00 O ATOM 0 H TYR A 32 3.765 6.864 5.310 1.00 0.00 H new ATOM 0 HA TYR A 32 3.370 4.461 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.371 4.736 6.538 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.540 3.343 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.522 4.731 2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.607 5.269 7.046 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.725 5.552 2.275 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.812 6.093 6.353 1.00 0.00 H new ATOM 0 HH TYR A 32 10.167 6.567 4.664 1.00 0.00 H new ATOM 132 N ILE A 33 1.489 3.394 5.019 1.00 0.00 N ATOM 133 CA ILE A 33 0.308 2.863 5.687 1.00 0.00 C ATOM 134 C ILE A 33 0.396 1.365 5.832 1.00 0.00 C ATOM 135 O ILE A 33 1.189 0.702 5.147 1.00 0.00 O ATOM 136 CB ILE A 33 -1.033 3.198 4.985 1.00 0.00 C ATOM 137 CG1 ILE A 33 -0.993 2.808 3.505 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.401 4.658 5.173 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.321 2.922 2.807 1.00 0.00 C ATOM 0 H ILE A 33 1.833 2.811 4.256 1.00 0.00 H new ATOM 0 HA ILE A 33 0.303 3.356 6.659 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.817 2.604 5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.269 3.441 2.992 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.636 1.782 3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.346 4.863 4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.502 4.874 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.620 5.288 4.748 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.210 2.629 1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.045 2.268 3.293 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.672 3.953 2.859 1.00 0.00 H new ATOM 151 N TYR A 34 -0.410 0.857 6.714 1.00 0.00 N ATOM 152 CA TYR A 34 -0.518 -0.525 6.997 1.00 0.00 C ATOM 153 C TYR A 34 -1.855 -1.016 6.483 1.00 0.00 C ATOM 154 O TYR A 34 -2.897 -0.480 6.858 1.00 0.00 O ATOM 155 CB TYR A 34 -0.442 -0.719 8.521 1.00 0.00 C ATOM 156 CG TYR A 34 -0.754 -2.106 8.997 1.00 0.00 C ATOM 157 CD1 TYR A 34 0.212 -3.085 9.014 1.00 0.00 C ATOM 158 CD2 TYR A 34 -2.030 -2.426 9.418 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.084 -4.365 9.441 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.345 -3.690 9.844 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.369 -4.663 9.852 1.00 0.00 C ATOM 162 OH TYR A 34 -1.671 -5.940 10.289 1.00 0.00 O ATOM 0 H TYR A 34 -1.037 1.431 7.278 1.00 0.00 H new ATOM 0 HA TYR A 34 0.286 -1.084 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.560 -0.452 8.857 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.134 -0.023 8.996 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.215 -2.850 8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.796 -1.664 9.411 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.682 -5.126 9.453 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.348 -3.921 10.170 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.616 -5.984 10.543 1.00 0.00 H new ATOM 172 N ILE A 35 -1.833 -1.973 5.617 1.00 0.00 N ATOM 173 CA ILE A 35 -3.049 -2.580 5.153 1.00 0.00 C ATOM 174 C ILE A 35 -3.094 -3.980 5.752 1.00 0.00 C ATOM 175 O ILE A 35 -2.138 -4.729 5.637 1.00 0.00 O ATOM 176 CB ILE A 35 -3.070 -2.697 3.613 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.649 -1.383 2.979 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.499 -3.021 3.155 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.053 -1.538 1.603 1.00 0.00 C ATOM 0 H ILE A 35 -0.981 -2.359 5.209 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.903 -1.972 5.451 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.380 -3.484 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.516 -0.725 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.922 -0.893 3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.523 -3.105 2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.818 -3.964 3.599 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.172 -2.224 3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.776 -0.558 1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.166 -2.170 1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.785 -1.999 0.939 1.00 0.00 H new ATOM 191 N GLY A 36 -4.168 -4.311 6.385 1.00 0.00 N ATOM 192 CA GLY A 36 -4.316 -5.590 7.020 1.00 0.00 C ATOM 193 C GLY A 36 -5.615 -6.243 6.637 1.00 0.00 C ATOM 194 O GLY A 36 -6.485 -5.584 6.067 1.00 0.00 O ATOM 0 H GLY A 36 -4.979 -3.700 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.485 -6.236 6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.273 -5.468 8.102 1.00 0.00 H new ATOM 198 N ASN A 37 -5.746 -7.527 6.968 1.00 0.00 N ATOM 199 CA ASN A 37 -6.911 -8.371 6.621 1.00 0.00 C ATOM 200 C ASN A 37 -6.963 -8.615 5.128 1.00 0.00 C ATOM 201 O ASN A 37 -8.029 -8.747 4.542 1.00 0.00 O ATOM 202 CB ASN A 37 -8.265 -7.804 7.112 1.00 0.00 C ATOM 203 CG ASN A 37 -8.390 -7.692 8.618 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.747 -8.427 9.377 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.264 -6.833 9.061 1.00 0.00 N ATOM 0 H ASN A 37 -5.034 -8.030 7.497 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.763 -9.313 7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.412 -6.817 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.068 -8.441 6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.436 -6.751 10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.776 -6.243 8.406 1.00 0.00 H new ATOM 212 N LEU A 38 -5.793 -8.706 4.524 1.00 0.00 N ATOM 213 CA LEU A 38 -5.677 -8.980 3.097 1.00 0.00 C ATOM 214 C LEU A 38 -6.175 -10.353 2.756 1.00 0.00 C ATOM 215 O LEU A 38 -6.152 -11.258 3.583 1.00 0.00 O ATOM 216 CB LEU A 38 -4.232 -8.832 2.588 1.00 0.00 C ATOM 217 CG LEU A 38 -3.831 -7.478 2.014 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.628 -7.191 0.768 1.00 0.00 C ATOM 219 CD2 LEU A 38 -4.035 -6.381 3.009 1.00 0.00 C ATOM 0 H LEU A 38 -4.899 -8.593 5.002 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.299 -8.235 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.558 -9.062 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.065 -9.587 1.820 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.770 -7.519 1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.335 -6.222 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.435 -7.966 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.691 -7.177 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.739 -5.429 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.087 -6.338 3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.428 -6.575 3.893 1.00 0.00 H new ATOM 231 N ASN A 39 -6.648 -10.491 1.550 1.00 0.00 N ATOM 232 CA ASN A 39 -7.093 -11.761 1.035 1.00 0.00 C ATOM 233 C ASN A 39 -5.905 -12.405 0.369 1.00 0.00 C ATOM 234 O ASN A 39 -5.061 -11.712 -0.211 1.00 0.00 O ATOM 235 CB ASN A 39 -8.184 -11.564 -0.020 1.00 0.00 C ATOM 236 CG ASN A 39 -8.990 -12.831 -0.330 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.569 -13.960 -0.055 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.075 -12.658 -1.009 1.00 0.00 N ATOM 0 H ASN A 39 -6.738 -9.720 0.888 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.495 -12.370 1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.867 -10.786 0.320 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.724 -11.204 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.608 -13.465 -1.333 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.399 -11.714 -1.221 1.00 0.00 H new ATOM 245 N ARG A 40 -5.870 -13.701 0.402 1.00 0.00 N ATOM 246 CA ARG A 40 -4.798 -14.492 -0.166 1.00 0.00 C ATOM 247 C ARG A 40 -4.697 -14.364 -1.680 1.00 0.00 C ATOM 248 O ARG A 40 -3.677 -14.693 -2.271 1.00 0.00 O ATOM 249 CB ARG A 40 -4.903 -15.945 0.320 1.00 0.00 C ATOM 250 CG ARG A 40 -6.276 -16.613 0.179 1.00 0.00 C ATOM 251 CD ARG A 40 -6.601 -17.046 -1.231 1.00 0.00 C ATOM 252 NE ARG A 40 -7.789 -17.911 -1.239 1.00 0.00 N ATOM 253 CZ ARG A 40 -8.826 -17.817 -2.078 1.00 0.00 C ATOM 254 NH1 ARG A 40 -8.805 -16.954 -3.068 1.00 0.00 N ATOM 255 NH2 ARG A 40 -9.860 -18.626 -1.943 1.00 0.00 N ATOM 0 H ARG A 40 -6.603 -14.263 0.835 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.853 -14.090 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.174 -16.542 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.614 -15.976 1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.316 -17.483 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.044 -15.920 0.522 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.776 -16.170 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.752 -17.579 -1.660 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.826 -18.652 -0.539 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.994 -16.350 -3.201 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.600 -16.888 -3.704 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.868 -19.323 -1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.651 -18.554 -2.583 1.00 0.00 H new ATOM 269 N GLU A 41 -5.751 -13.873 -2.297 1.00 0.00 N ATOM 270 CA GLU A 41 -5.758 -13.690 -3.739 1.00 0.00 C ATOM 271 C GLU A 41 -5.313 -12.282 -4.128 1.00 0.00 C ATOM 272 O GLU A 41 -4.981 -12.022 -5.288 1.00 0.00 O ATOM 273 CB GLU A 41 -7.133 -13.996 -4.317 1.00 0.00 C ATOM 274 CG GLU A 41 -8.260 -13.220 -3.693 1.00 0.00 C ATOM 275 CD GLU A 41 -9.584 -13.531 -4.342 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.152 -14.589 -4.051 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.074 -12.724 -5.147 1.00 0.00 O ATOM 0 H GLU A 41 -6.612 -13.593 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.041 -14.394 -4.162 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.117 -13.791 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.334 -15.061 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.314 -13.451 -2.629 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.056 -12.153 -3.778 1.00 0.00 H new ATOM 284 N LEU A 42 -5.269 -11.393 -3.155 1.00 0.00 N ATOM 285 CA LEU A 42 -4.930 -10.012 -3.410 1.00 0.00 C ATOM 286 C LEU A 42 -3.447 -9.821 -3.569 1.00 0.00 C ATOM 287 O LEU A 42 -2.653 -10.185 -2.700 1.00 0.00 O ATOM 288 CB LEU A 42 -5.510 -9.081 -2.341 1.00 0.00 C ATOM 289 CG LEU A 42 -7.025 -8.887 -2.398 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.517 -8.045 -1.235 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.422 -8.242 -3.712 1.00 0.00 C ATOM 0 H LEU A 42 -5.465 -11.607 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.391 -9.739 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.247 -9.474 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.031 -8.106 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.492 -9.869 -2.326 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.598 -7.925 -1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.266 -8.539 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.041 -7.065 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.504 -8.109 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.935 -7.271 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.113 -8.881 -4.539 1.00 0.00 H new ATOM 303 N THR A 43 -3.088 -9.280 -4.687 1.00 0.00 N ATOM 304 CA THR A 43 -1.730 -9.020 -5.027 1.00 0.00 C ATOM 305 C THR A 43 -1.521 -7.508 -5.117 1.00 0.00 C ATOM 306 O THR A 43 -2.503 -6.736 -5.023 1.00 0.00 O ATOM 307 CB THR A 43 -1.334 -9.732 -6.354 1.00 0.00 C ATOM 308 OG1 THR A 43 0.062 -9.545 -6.632 1.00 0.00 O ATOM 309 CG2 THR A 43 -2.169 -9.226 -7.529 1.00 0.00 C ATOM 0 H THR A 43 -3.752 -8.999 -5.409 1.00 0.00 H new ATOM 0 HA THR A 43 -1.080 -9.423 -4.250 1.00 0.00 H new ATOM 0 HB THR A 43 -1.533 -10.796 -6.226 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.293 -10.001 -7.468 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.867 -9.744 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.224 -9.419 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.012 -8.154 -7.652 1.00 0.00 H new ATOM 317 N GLU A 44 -0.271 -7.102 -5.309 1.00 0.00 N ATOM 318 CA GLU A 44 0.135 -5.703 -5.347 1.00 0.00 C ATOM 319 C GLU A 44 -0.665 -4.942 -6.390 1.00 0.00 C ATOM 320 O GLU A 44 -1.178 -3.877 -6.113 1.00 0.00 O ATOM 321 CB GLU A 44 1.619 -5.607 -5.690 1.00 0.00 C ATOM 322 CG GLU A 44 2.525 -6.385 -4.757 1.00 0.00 C ATOM 323 CD GLU A 44 3.967 -6.335 -5.181 1.00 0.00 C ATOM 324 OE1 GLU A 44 4.259 -6.638 -6.364 1.00 0.00 O ATOM 325 OE2 GLU A 44 4.836 -6.026 -4.359 1.00 0.00 O ATOM 0 H GLU A 44 0.504 -7.750 -5.445 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.050 -5.264 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.769 -5.967 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.916 -4.558 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.432 -5.984 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.197 -7.424 -4.719 1.00 0.00 H new ATOM 332 N GLY A 45 -0.807 -5.538 -7.566 1.00 0.00 N ATOM 333 CA GLY A 45 -1.524 -4.914 -8.665 1.00 0.00 C ATOM 334 C GLY A 45 -2.971 -4.591 -8.337 1.00 0.00 C ATOM 335 O GLY A 45 -3.476 -3.522 -8.723 1.00 0.00 O ATOM 0 H GLY A 45 -0.431 -6.461 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.010 -3.996 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.495 -5.576 -9.530 1.00 0.00 H new ATOM 339 N ASP A 46 -3.639 -5.485 -7.606 1.00 0.00 N ATOM 340 CA ASP A 46 -5.037 -5.269 -7.249 1.00 0.00 C ATOM 341 C ASP A 46 -5.115 -4.093 -6.286 1.00 0.00 C ATOM 342 O ASP A 46 -5.867 -3.129 -6.511 1.00 0.00 O ATOM 343 CB ASP A 46 -5.645 -6.522 -6.610 1.00 0.00 C ATOM 344 CG ASP A 46 -7.170 -6.499 -6.608 1.00 0.00 C ATOM 345 OD1 ASP A 46 -7.773 -5.514 -6.178 1.00 0.00 O ATOM 346 OD2 ASP A 46 -7.790 -7.475 -7.085 1.00 0.00 O ATOM 0 H ASP A 46 -3.238 -6.355 -7.254 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.609 -5.053 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.299 -7.404 -7.149 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.285 -6.613 -5.585 1.00 0.00 H new ATOM 351 N ILE A 47 -4.251 -4.143 -5.262 1.00 0.00 N ATOM 352 CA ILE A 47 -4.151 -3.093 -4.252 1.00 0.00 C ATOM 353 C ILE A 47 -3.826 -1.755 -4.910 1.00 0.00 C ATOM 354 O ILE A 47 -4.495 -0.762 -4.661 1.00 0.00 O ATOM 355 CB ILE A 47 -3.062 -3.423 -3.169 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.490 -4.605 -2.283 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.712 -2.206 -2.318 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.514 -4.902 -1.155 1.00 0.00 C ATOM 0 H ILE A 47 -3.603 -4.917 -5.115 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.118 -3.033 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.161 -3.713 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.471 -4.393 -1.858 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.597 -5.494 -2.904 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.956 -2.481 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.324 -1.414 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.606 -1.852 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.879 -5.747 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.537 -5.145 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.425 -4.027 -0.511 1.00 0.00 H new ATOM 370 N LEU A 48 -2.861 -1.765 -5.813 1.00 0.00 N ATOM 371 CA LEU A 48 -2.417 -0.563 -6.497 1.00 0.00 C ATOM 372 C LEU A 48 -3.534 0.079 -7.250 1.00 0.00 C ATOM 373 O LEU A 48 -3.666 1.285 -7.224 1.00 0.00 O ATOM 374 CB LEU A 48 -1.294 -0.870 -7.472 1.00 0.00 C ATOM 375 CG LEU A 48 0.083 -1.085 -6.886 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.016 -1.600 -7.958 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.622 0.219 -6.315 1.00 0.00 C ATOM 0 H LEU A 48 -2.362 -2.609 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.058 0.120 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.567 -1.764 -8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.233 -0.051 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 48 0.016 -1.818 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.008 -1.754 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.637 -2.545 -8.347 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.077 -0.873 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.614 0.050 -5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.685 0.965 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.046 0.577 -5.532 1.00 0.00 H new ATOM 389 N THR A 49 -4.351 -0.722 -7.879 1.00 0.00 N ATOM 390 CA THR A 49 -5.437 -0.208 -8.657 1.00 0.00 C ATOM 391 C THR A 49 -6.461 0.514 -7.764 1.00 0.00 C ATOM 392 O THR A 49 -6.862 1.645 -8.050 1.00 0.00 O ATOM 393 CB THR A 49 -6.135 -1.336 -9.419 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.180 -2.032 -10.263 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.256 -0.755 -10.255 1.00 0.00 C ATOM 0 H THR A 49 -4.281 -1.740 -7.865 1.00 0.00 H new ATOM 0 HA THR A 49 -5.024 0.506 -9.369 1.00 0.00 H new ATOM 0 HB THR A 49 -6.552 -2.052 -8.711 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.636 -2.634 -9.714 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.756 -1.556 -10.800 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.974 -0.255 -9.604 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.846 -0.035 -10.963 1.00 0.00 H new ATOM 403 N VAL A 50 -6.811 -0.120 -6.663 1.00 0.00 N ATOM 404 CA VAL A 50 -7.788 0.420 -5.732 1.00 0.00 C ATOM 405 C VAL A 50 -7.237 1.675 -5.047 1.00 0.00 C ATOM 406 O VAL A 50 -7.877 2.726 -5.027 1.00 0.00 O ATOM 407 CB VAL A 50 -8.183 -0.649 -4.679 1.00 0.00 C ATOM 408 CG1 VAL A 50 -9.210 -0.113 -3.703 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.711 -1.896 -5.375 1.00 0.00 C ATOM 0 H VAL A 50 -6.428 -1.024 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.682 0.698 -6.290 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.291 -0.908 -4.110 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.464 -0.888 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.799 0.751 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.107 0.184 -4.246 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.986 -2.641 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.587 -1.637 -5.969 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.938 -2.304 -6.027 1.00 0.00 H new ATOM 419 N PHE A 51 -6.019 1.558 -4.563 1.00 0.00 N ATOM 420 CA PHE A 51 -5.316 2.603 -3.874 1.00 0.00 C ATOM 421 C PHE A 51 -5.023 3.792 -4.766 1.00 0.00 C ATOM 422 O PHE A 51 -4.844 4.898 -4.282 1.00 0.00 O ATOM 423 CB PHE A 51 -4.059 2.031 -3.232 1.00 0.00 C ATOM 424 CG PHE A 51 -4.337 1.251 -1.950 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.241 0.197 -1.922 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.679 1.569 -0.787 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.466 -0.513 -0.764 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.901 0.874 0.362 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.788 -0.170 0.385 1.00 0.00 C ATOM 0 H PHE A 51 -5.477 0.698 -4.645 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.961 2.991 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.560 1.376 -3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.369 2.846 -3.011 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.775 -0.070 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.972 2.386 -0.784 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.169 -1.333 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.373 1.148 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.955 -0.721 1.299 1.00 0.00 H new ATOM 439 N SER A 52 -5.030 3.572 -6.063 1.00 0.00 N ATOM 440 CA SER A 52 -4.834 4.638 -7.014 1.00 0.00 C ATOM 441 C SER A 52 -6.031 5.582 -7.102 1.00 0.00 C ATOM 442 O SER A 52 -5.883 6.701 -7.565 1.00 0.00 O ATOM 443 CB SER A 52 -4.478 4.104 -8.378 1.00 0.00 C ATOM 444 OG SER A 52 -3.186 3.549 -8.404 1.00 0.00 O ATOM 0 H SER A 52 -5.171 2.653 -6.484 1.00 0.00 H new ATOM 0 HA SER A 52 -3.993 5.223 -6.641 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.204 3.346 -8.672 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.542 4.908 -9.111 1.00 0.00 H new ATOM 0 HG SER A 52 -3.168 2.736 -7.857 1.00 0.00 H new ATOM 450 N GLU A 53 -7.219 5.157 -6.684 1.00 0.00 N ATOM 451 CA GLU A 53 -8.326 6.116 -6.667 1.00 0.00 C ATOM 452 C GLU A 53 -8.143 7.092 -5.491 1.00 0.00 C ATOM 453 O GLU A 53 -8.596 8.242 -5.530 1.00 0.00 O ATOM 454 CB GLU A 53 -9.717 5.450 -6.584 1.00 0.00 C ATOM 455 CG GLU A 53 -10.854 6.478 -6.700 1.00 0.00 C ATOM 456 CD GLU A 53 -12.240 5.925 -6.493 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.710 5.873 -5.332 1.00 0.00 O ATOM 458 OE2 GLU A 53 -12.926 5.603 -7.480 1.00 0.00 O ATOM 0 H GLU A 53 -7.438 4.212 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.295 6.649 -7.617 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.813 4.711 -7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.807 4.915 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.683 7.270 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -10.807 6.938 -7.687 1.00 0.00 H new ATOM 465 N TYR A 54 -7.423 6.654 -4.478 1.00 0.00 N ATOM 466 CA TYR A 54 -7.256 7.439 -3.272 1.00 0.00 C ATOM 467 C TYR A 54 -6.044 8.350 -3.366 1.00 0.00 C ATOM 468 O TYR A 54 -5.835 9.222 -2.524 1.00 0.00 O ATOM 469 CB TYR A 54 -7.185 6.519 -2.061 1.00 0.00 C ATOM 470 CG TYR A 54 -8.374 5.581 -1.996 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.670 6.067 -1.962 1.00 0.00 C ATOM 472 CD2 TYR A 54 -8.197 4.216 -1.998 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.750 5.211 -1.935 1.00 0.00 C ATOM 474 CE2 TYR A 54 -9.268 3.353 -1.965 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.546 3.855 -1.938 1.00 0.00 C ATOM 476 OH TYR A 54 -11.626 2.990 -1.908 1.00 0.00 O ATOM 0 H TYR A 54 -6.942 5.754 -4.466 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.123 8.089 -3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.264 5.937 -2.100 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.145 7.118 -1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.837 7.134 -1.957 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.195 3.813 -2.026 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.754 5.607 -1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.104 2.285 -1.960 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.304 2.064 -1.916 1.00 0.00 H new ATOM 486 N GLY A 55 -5.266 8.158 -4.400 1.00 0.00 N ATOM 487 CA GLY A 55 -4.125 8.981 -4.626 1.00 0.00 C ATOM 488 C GLY A 55 -3.147 8.302 -5.514 1.00 0.00 C ATOM 489 O GLY A 55 -3.490 7.332 -6.180 1.00 0.00 O ATOM 0 H GLY A 55 -5.411 7.430 -5.100 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.436 9.924 -5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.651 9.222 -3.674 1.00 0.00 H new ATOM 493 N VAL A 56 -1.943 8.783 -5.528 1.00 0.00 N ATOM 494 CA VAL A 56 -0.921 8.216 -6.365 1.00 0.00 C ATOM 495 C VAL A 56 -0.007 7.325 -5.532 1.00 0.00 C ATOM 496 O VAL A 56 0.731 7.816 -4.671 1.00 0.00 O ATOM 497 CB VAL A 56 -0.087 9.323 -7.067 1.00 0.00 C ATOM 498 CG1 VAL A 56 0.982 8.721 -7.977 1.00 0.00 C ATOM 499 CG2 VAL A 56 -0.999 10.251 -7.856 1.00 0.00 C ATOM 0 H VAL A 56 -1.637 9.576 -4.964 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.407 7.620 -7.138 1.00 0.00 H new ATOM 0 HB VAL A 56 0.421 9.902 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.548 9.522 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.657 8.102 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.505 8.109 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.401 11.022 -8.342 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.536 9.677 -8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.714 10.720 -7.180 1.00 0.00 H new ATOM 509 N PRO A 57 -0.082 6.003 -5.725 1.00 0.00 N ATOM 510 CA PRO A 57 0.787 5.075 -5.039 1.00 0.00 C ATOM 511 C PRO A 57 2.164 5.081 -5.693 1.00 0.00 C ATOM 512 O PRO A 57 2.283 5.115 -6.926 1.00 0.00 O ATOM 513 CB PRO A 57 0.094 3.727 -5.252 1.00 0.00 C ATOM 514 CG PRO A 57 -0.602 3.871 -6.550 1.00 0.00 C ATOM 515 CD PRO A 57 -1.017 5.311 -6.636 1.00 0.00 C ATOM 0 HA PRO A 57 0.939 5.312 -3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.814 2.909 -5.276 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.608 3.510 -4.447 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.055 3.604 -7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.468 3.211 -6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.937 5.690 -7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.053 5.448 -6.325 1.00 0.00 H new ATOM 523 N VAL A 58 3.194 5.079 -4.903 1.00 0.00 N ATOM 524 CA VAL A 58 4.520 5.110 -5.467 1.00 0.00 C ATOM 525 C VAL A 58 5.264 3.805 -5.243 1.00 0.00 C ATOM 526 O VAL A 58 6.124 3.430 -6.043 1.00 0.00 O ATOM 527 CB VAL A 58 5.363 6.339 -5.004 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.710 7.633 -5.440 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.544 6.356 -3.514 1.00 0.00 C ATOM 0 H VAL A 58 3.151 5.057 -3.884 1.00 0.00 H new ATOM 0 HA VAL A 58 4.379 5.230 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 58 6.343 6.248 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.315 8.476 -5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.629 7.652 -6.527 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.715 7.704 -5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.136 7.226 -3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.569 6.406 -3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.059 5.448 -3.200 1.00 0.00 H new ATOM 539 N ASP A 59 4.906 3.088 -4.190 1.00 0.00 N ATOM 540 CA ASP A 59 5.569 1.828 -3.870 1.00 0.00 C ATOM 541 C ASP A 59 4.606 0.973 -3.063 1.00 0.00 C ATOM 542 O ASP A 59 3.807 1.521 -2.278 1.00 0.00 O ATOM 543 CB ASP A 59 6.838 2.094 -3.057 1.00 0.00 C ATOM 544 CG ASP A 59 7.770 0.918 -3.010 1.00 0.00 C ATOM 545 OD1 ASP A 59 7.557 0.015 -2.212 1.00 0.00 O ATOM 546 OD2 ASP A 59 8.764 0.903 -3.779 1.00 0.00 O ATOM 0 H ASP A 59 4.163 3.353 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 59 5.851 1.311 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.363 2.948 -3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.559 2.368 -2.040 1.00 0.00 H new ATOM 551 N VAL A 60 4.643 -0.328 -3.270 1.00 0.00 N ATOM 552 CA VAL A 60 3.750 -1.251 -2.584 1.00 0.00 C ATOM 553 C VAL A 60 4.468 -2.589 -2.326 1.00 0.00 C ATOM 554 O VAL A 60 5.257 -3.050 -3.150 1.00 0.00 O ATOM 555 CB VAL A 60 2.446 -1.492 -3.420 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.754 -2.174 -4.743 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.388 -2.273 -2.632 1.00 0.00 C ATOM 0 H VAL A 60 5.291 -0.778 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 60 3.467 -0.808 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 60 2.026 -0.510 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.828 -2.326 -5.298 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.428 -1.548 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.227 -3.138 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.503 -2.415 -3.253 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.791 -3.245 -2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.117 -1.715 -1.736 1.00 0.00 H new ATOM 567 N ILE A 61 4.275 -3.139 -1.159 1.00 0.00 N ATOM 568 CA ILE A 61 4.786 -4.450 -0.818 1.00 0.00 C ATOM 569 C ILE A 61 3.646 -5.354 -0.434 1.00 0.00 C ATOM 570 O ILE A 61 2.834 -4.993 0.426 1.00 0.00 O ATOM 571 CB ILE A 61 5.780 -4.391 0.368 1.00 0.00 C ATOM 572 CG1 ILE A 61 7.001 -3.592 -0.015 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.187 -5.800 0.833 1.00 0.00 C ATOM 574 CD1 ILE A 61 7.918 -3.342 1.127 1.00 0.00 C ATOM 0 H ILE A 61 3.754 -2.690 -0.406 1.00 0.00 H new ATOM 0 HA ILE A 61 5.309 -4.833 -1.695 1.00 0.00 H new ATOM 0 HB ILE A 61 5.278 -3.898 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.543 -4.122 -0.799 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.685 -2.637 -0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.885 -5.721 1.666 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.301 -6.348 1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.664 -6.331 0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.776 -2.763 0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.391 -2.786 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.261 -4.294 1.533 1.00 0.00 H new ATOM 586 N LEU A 62 3.549 -6.488 -1.065 1.00 0.00 N ATOM 587 CA LEU A 62 2.609 -7.466 -0.627 1.00 0.00 C ATOM 588 C LEU A 62 3.386 -8.453 0.208 1.00 0.00 C ATOM 589 O LEU A 62 4.301 -9.125 -0.305 1.00 0.00 O ATOM 590 CB LEU A 62 1.973 -8.213 -1.798 1.00 0.00 C ATOM 591 CG LEU A 62 0.512 -8.668 -1.616 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.272 -9.414 -0.314 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.413 -7.499 -1.734 1.00 0.00 C ATOM 0 H LEU A 62 4.106 -6.753 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 62 1.804 -6.981 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.023 -7.572 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.580 -9.093 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 62 0.304 -9.379 -2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.776 -9.706 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.899 -10.305 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.521 -8.767 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.442 -7.834 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.171 -6.764 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.302 -7.045 -2.719 1.00 0.00 H new ATOM 605 N SER A 63 3.070 -8.527 1.456 1.00 0.00 N ATOM 606 CA SER A 63 3.707 -9.435 2.330 1.00 0.00 C ATOM 607 C SER A 63 3.160 -10.811 2.024 1.00 0.00 C ATOM 608 O SER A 63 1.949 -11.054 2.149 1.00 0.00 O ATOM 609 CB SER A 63 3.362 -9.013 3.727 1.00 0.00 C ATOM 610 OG SER A 63 3.555 -7.611 3.842 1.00 0.00 O ATOM 0 H SER A 63 2.354 -7.950 1.897 1.00 0.00 H new ATOM 0 HA SER A 63 4.791 -9.450 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.328 -9.272 3.955 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.988 -9.541 4.446 1.00 0.00 H new ATOM 0 HG SER A 63 3.406 -7.335 4.771 1.00 0.00 H new ATOM 616 N ARG A 64 4.010 -11.691 1.589 1.00 0.00 N ATOM 617 CA ARG A 64 3.596 -13.007 1.188 1.00 0.00 C ATOM 618 C ARG A 64 4.464 -14.058 1.804 1.00 0.00 C ATOM 619 O ARG A 64 5.671 -13.875 1.968 1.00 0.00 O ATOM 620 CB ARG A 64 3.589 -13.143 -0.330 1.00 0.00 C ATOM 621 CG ARG A 64 2.506 -12.353 -1.022 1.00 0.00 C ATOM 622 CD ARG A 64 2.697 -12.356 -2.512 1.00 0.00 C ATOM 623 NE ARG A 64 3.937 -11.677 -2.883 1.00 0.00 N ATOM 624 CZ ARG A 64 4.211 -11.202 -4.086 1.00 0.00 C ATOM 625 NH1 ARG A 64 3.398 -11.445 -5.103 1.00 0.00 N ATOM 626 NH2 ARG A 64 5.325 -10.523 -4.279 1.00 0.00 N ATOM 0 H ARG A 64 5.012 -11.520 1.501 1.00 0.00 H new ATOM 0 HA ARG A 64 2.578 -13.153 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.557 -12.824 -0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.475 -14.196 -0.588 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.532 -12.776 -0.777 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.510 -11.327 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.717 -13.383 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.851 -11.863 -2.992 1.00 0.00 H new ATOM 0 HE ARG A 64 4.645 -11.561 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.555 -12.001 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.615 -11.076 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.968 -10.367 -3.503 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.543 -10.153 -5.204 1.00 0.00 H new ATOM 728 N GLN A 72 0.169 -12.724 3.329 1.00 0.00 N ATOM 729 CA GLN A 72 0.238 -12.945 4.768 1.00 0.00 C ATOM 730 C GLN A 72 -0.860 -12.198 5.503 1.00 0.00 C ATOM 731 O GLN A 72 -0.817 -12.052 6.722 1.00 0.00 O ATOM 732 CB GLN A 72 1.587 -12.507 5.291 1.00 0.00 C ATOM 733 CG GLN A 72 2.725 -13.265 4.680 1.00 0.00 C ATOM 734 CD GLN A 72 3.993 -13.088 5.435 1.00 0.00 C ATOM 735 OE1 GLN A 72 4.768 -12.168 5.185 1.00 0.00 O ATOM 736 NE2 GLN A 72 4.226 -13.973 6.343 1.00 0.00 N ATOM 0 HA GLN A 72 0.099 -14.011 4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.719 -11.443 5.094 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.611 -12.636 6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.473 -14.325 4.641 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.868 -12.934 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.551 -14.719 6.514 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.085 -13.928 6.891 1.00 0.00 H new ATOM 745 N GLY A 73 -1.820 -11.713 4.759 1.00 0.00 N ATOM 746 CA GLY A 73 -2.935 -11.024 5.343 1.00 0.00 C ATOM 747 C GLY A 73 -2.657 -9.573 5.626 1.00 0.00 C ATOM 748 O GLY A 73 -3.442 -8.915 6.292 1.00 0.00 O ATOM 0 H GLY A 73 -1.849 -11.785 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.791 -11.098 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.214 -11.521 6.272 1.00 0.00 H new ATOM 752 N PHE A 74 -1.566 -9.059 5.123 1.00 0.00 N ATOM 753 CA PHE A 74 -1.252 -7.668 5.291 1.00 0.00 C ATOM 754 C PHE A 74 -0.369 -7.228 4.152 1.00 0.00 C ATOM 755 O PHE A 74 0.216 -8.082 3.464 1.00 0.00 O ATOM 756 CB PHE A 74 -0.603 -7.366 6.673 1.00 0.00 C ATOM 757 CG PHE A 74 0.772 -7.920 6.889 1.00 0.00 C ATOM 758 CD1 PHE A 74 0.960 -9.238 7.264 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.879 -7.108 6.728 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.228 -9.736 7.469 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.147 -7.601 6.934 1.00 0.00 C ATOM 762 CZ PHE A 74 3.321 -8.919 7.304 1.00 0.00 C ATOM 0 H PHE A 74 -0.876 -9.589 4.590 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.180 -7.097 5.273 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.562 -6.285 6.804 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.257 -7.757 7.452 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.104 -9.883 7.397 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.747 -6.076 6.438 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.363 -10.767 7.759 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.005 -6.957 6.806 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.316 -9.308 7.464 1.00 0.00 H new ATOM 772 N ALA A 75 -0.326 -5.943 3.912 1.00 0.00 N ATOM 773 CA ALA A 75 0.495 -5.375 2.889 1.00 0.00 C ATOM 774 C ALA A 75 0.834 -3.933 3.242 1.00 0.00 C ATOM 775 O ALA A 75 0.278 -3.364 4.195 1.00 0.00 O ATOM 776 CB ALA A 75 -0.217 -5.442 1.557 1.00 0.00 C ATOM 0 H ALA A 75 -0.871 -5.256 4.433 1.00 0.00 H new ATOM 0 HA ALA A 75 1.422 -5.944 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.416 -5.007 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.429 -6.482 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.152 -4.885 1.616 1.00 0.00 H new ATOM 782 N TYR A 76 1.709 -3.354 2.474 1.00 0.00 N ATOM 783 CA TYR A 76 2.171 -1.999 2.668 1.00 0.00 C ATOM 784 C TYR A 76 2.103 -1.240 1.362 1.00 0.00 C ATOM 785 O TYR A 76 2.406 -1.791 0.318 1.00 0.00 O ATOM 786 CB TYR A 76 3.618 -2.029 3.207 1.00 0.00 C ATOM 787 CG TYR A 76 4.471 -0.814 2.863 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.380 0.375 3.571 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.383 -0.882 1.817 1.00 0.00 C ATOM 790 CE1 TYR A 76 5.180 1.453 3.239 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.173 0.184 1.483 1.00 0.00 C ATOM 792 CZ TYR A 76 6.073 1.345 2.193 1.00 0.00 C ATOM 793 OH TYR A 76 6.879 2.398 1.869 1.00 0.00 O ATOM 0 H TYR A 76 2.136 -3.818 1.672 1.00 0.00 H new ATOM 0 HA TYR A 76 1.533 -1.491 3.392 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.581 -2.130 4.292 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.113 -2.920 2.820 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.679 0.460 4.388 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.470 -1.799 1.254 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.106 2.375 3.796 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.871 0.107 0.663 1.00 0.00 H new ATOM 0 HH TYR A 76 6.662 3.164 2.440 1.00 0.00 H new ATOM 803 N LEU A 77 1.722 0.012 1.427 1.00 0.00 N ATOM 804 CA LEU A 77 1.682 0.859 0.266 1.00 0.00 C ATOM 805 C LEU A 77 1.971 2.279 0.707 1.00 0.00 C ATOM 806 O LEU A 77 1.595 2.675 1.804 1.00 0.00 O ATOM 807 CB LEU A 77 0.330 0.732 -0.509 1.00 0.00 C ATOM 808 CG LEU A 77 0.232 1.469 -1.877 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.791 0.801 -2.769 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.184 2.911 -1.688 1.00 0.00 C ATOM 0 H LEU A 77 1.431 0.471 2.290 1.00 0.00 H new ATOM 0 HA LEU A 77 2.445 0.544 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.134 -0.327 -0.679 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.467 1.104 0.135 1.00 0.00 H new ATOM 0 HG LEU A 77 1.219 1.426 -2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.845 1.330 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.499 -0.234 -2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.767 0.825 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.245 3.402 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.159 2.948 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.551 3.423 -1.067 1.00 0.00 H new ATOM 822 N LYS A 78 2.706 2.996 -0.090 1.00 0.00 N ATOM 823 CA LYS A 78 3.022 4.364 0.201 1.00 0.00 C ATOM 824 C LYS A 78 2.590 5.245 -0.952 1.00 0.00 C ATOM 825 O LYS A 78 2.671 4.844 -2.137 1.00 0.00 O ATOM 826 CB LYS A 78 4.508 4.581 0.506 1.00 0.00 C ATOM 827 CG LYS A 78 5.429 4.264 -0.646 1.00 0.00 C ATOM 828 CD LYS A 78 6.860 4.742 -0.407 1.00 0.00 C ATOM 829 CE LYS A 78 6.946 6.266 -0.294 1.00 0.00 C ATOM 830 NZ LYS A 78 8.337 6.729 -0.174 1.00 0.00 N ATOM 0 H LYS A 78 3.105 2.649 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 78 2.475 4.636 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.659 5.619 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.786 3.963 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.434 3.187 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.042 4.728 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.245 4.289 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.496 4.403 -1.224 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.486 6.722 -1.171 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.376 6.599 0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.352 7.766 -0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.769 6.315 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.875 6.434 -1.014 1.00 0.00 H new ATOM 844 N TYR A 79 2.135 6.404 -0.621 1.00 0.00 N ATOM 845 CA TYR A 79 1.646 7.356 -1.589 1.00 0.00 C ATOM 846 C TYR A 79 2.628 8.452 -1.830 1.00 0.00 C ATOM 847 O TYR A 79 3.601 8.601 -1.103 1.00 0.00 O ATOM 848 CB TYR A 79 0.339 7.969 -1.148 1.00 0.00 C ATOM 849 CG TYR A 79 -0.808 7.028 -1.154 1.00 0.00 C ATOM 850 CD1 TYR A 79 -1.010 6.151 -0.115 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.703 7.027 -2.202 1.00 0.00 C ATOM 852 CE1 TYR A 79 -2.065 5.297 -0.118 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.769 6.184 -2.212 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.947 5.321 -1.172 1.00 0.00 C ATOM 855 OH TYR A 79 -4.008 4.492 -1.175 1.00 0.00 O ATOM 0 H TYR A 79 2.087 6.733 0.343 1.00 0.00 H new ATOM 0 HA TYR A 79 1.494 6.800 -2.514 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.460 8.370 -0.142 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.107 8.811 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.320 6.141 0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.555 7.707 -3.028 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.210 4.606 0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.468 6.198 -3.035 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.812 3.707 -0.621 1.00 0.00 H new ATOM 865 N GLU A 80 2.395 9.174 -2.882 1.00 0.00 N ATOM 866 CA GLU A 80 3.171 10.326 -3.199 1.00 0.00 C ATOM 867 C GLU A 80 2.755 11.469 -2.250 1.00 0.00 C ATOM 868 O GLU A 80 3.599 12.219 -1.727 1.00 0.00 O ATOM 869 CB GLU A 80 2.927 10.700 -4.660 1.00 0.00 C ATOM 870 CG GLU A 80 3.848 11.760 -5.198 1.00 0.00 C ATOM 871 CD GLU A 80 3.602 12.044 -6.649 1.00 0.00 C ATOM 872 OE1 GLU A 80 4.181 11.358 -7.514 1.00 0.00 O ATOM 873 OE2 GLU A 80 2.847 12.989 -6.955 1.00 0.00 O ATOM 0 H GLU A 80 1.651 8.975 -3.551 1.00 0.00 H new ATOM 0 HA GLU A 80 4.236 10.132 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.029 9.804 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.898 11.043 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.718 12.677 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.882 11.443 -5.062 1.00 0.00 H new ATOM 880 N ASP A 81 1.459 11.568 -1.979 1.00 0.00 N ATOM 881 CA ASP A 81 0.970 12.607 -1.093 1.00 0.00 C ATOM 882 C ASP A 81 0.331 12.014 0.160 1.00 0.00 C ATOM 883 O ASP A 81 -0.305 10.962 0.118 1.00 0.00 O ATOM 884 CB ASP A 81 -0.006 13.553 -1.794 1.00 0.00 C ATOM 885 CG ASP A 81 -0.289 14.759 -0.944 1.00 0.00 C ATOM 886 OD1 ASP A 81 0.524 15.715 -0.969 1.00 0.00 O ATOM 887 OD2 ASP A 81 -1.275 14.757 -0.197 1.00 0.00 O ATOM 0 H ASP A 81 0.740 10.950 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 81 1.838 13.194 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.410 13.867 -2.751 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.937 13.028 -2.008 1.00 0.00 H new ATOM 892 N GLN A 82 0.519 12.694 1.265 1.00 0.00 N ATOM 893 CA GLN A 82 0.041 12.277 2.563 1.00 0.00 C ATOM 894 C GLN A 82 -1.481 12.355 2.697 1.00 0.00 C ATOM 895 O GLN A 82 -2.077 11.566 3.420 1.00 0.00 O ATOM 896 CB GLN A 82 0.761 13.039 3.683 1.00 0.00 C ATOM 897 CG GLN A 82 2.211 12.611 3.919 1.00 0.00 C ATOM 898 CD GLN A 82 3.145 12.851 2.738 1.00 0.00 C ATOM 899 OE1 GLN A 82 2.965 13.777 1.947 1.00 0.00 O ATOM 900 NE2 GLN A 82 4.125 12.017 2.602 1.00 0.00 N ATOM 0 H GLN A 82 1.024 13.580 1.287 1.00 0.00 H new ATOM 0 HA GLN A 82 0.287 11.220 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.744 14.103 3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.203 12.908 4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.598 13.147 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.227 11.550 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.247 11.260 3.274 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.775 12.117 1.822 1.00 0.00 H new ATOM 909 N ARG A 83 -2.115 13.262 1.972 1.00 0.00 N ATOM 910 CA ARG A 83 -3.580 13.370 1.986 1.00 0.00 C ATOM 911 C ARG A 83 -4.210 12.104 1.418 1.00 0.00 C ATOM 912 O ARG A 83 -5.286 11.682 1.810 1.00 0.00 O ATOM 913 CB ARG A 83 -4.111 14.635 1.292 1.00 0.00 C ATOM 914 CG ARG A 83 -4.122 15.912 2.154 1.00 0.00 C ATOM 915 CD ARG A 83 -2.741 16.387 2.585 1.00 0.00 C ATOM 916 NE ARG A 83 -1.896 16.711 1.442 1.00 0.00 N ATOM 917 CZ ARG A 83 -1.222 17.855 1.264 1.00 0.00 C ATOM 918 NH1 ARG A 83 -1.341 18.866 2.126 1.00 0.00 N ATOM 919 NH2 ARG A 83 -0.414 17.973 0.232 1.00 0.00 N ATOM 0 H ARG A 83 -1.648 13.936 1.366 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.878 13.472 3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.506 14.822 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.127 14.440 0.950 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.610 16.710 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.726 15.731 3.043 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.842 17.265 3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.261 15.612 3.183 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.810 16.003 0.712 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -1.953 18.775 2.937 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.820 19.730 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.306 17.198 -0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.104 18.839 0.086 1.00 0.00 H new ATOM 933 N SER A 84 -3.543 11.538 0.478 1.00 0.00 N ATOM 934 CA SER A 84 -3.934 10.298 -0.124 1.00 0.00 C ATOM 935 C SER A 84 -3.979 9.138 0.908 1.00 0.00 C ATOM 936 O SER A 84 -4.862 8.283 0.837 1.00 0.00 O ATOM 937 CB SER A 84 -2.996 9.998 -1.265 1.00 0.00 C ATOM 938 OG SER A 84 -3.031 11.046 -2.221 1.00 0.00 O ATOM 0 H SER A 84 -2.685 11.929 0.090 1.00 0.00 H new ATOM 0 HA SER A 84 -4.950 10.392 -0.508 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.981 9.875 -0.887 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.277 9.057 -1.737 1.00 0.00 H new ATOM 0 HG SER A 84 -2.416 10.839 -2.956 1.00 0.00 H new ATOM 944 N THR A 85 -3.035 9.119 1.869 1.00 0.00 N ATOM 945 CA THR A 85 -2.989 8.025 2.847 1.00 0.00 C ATOM 946 C THR A 85 -4.251 8.013 3.709 1.00 0.00 C ATOM 947 O THR A 85 -4.889 6.979 3.876 1.00 0.00 O ATOM 948 CB THR A 85 -1.733 8.102 3.771 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.760 9.278 4.609 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.471 8.123 2.951 1.00 0.00 C ATOM 0 H THR A 85 -2.313 9.831 1.985 1.00 0.00 H new ATOM 0 HA THR A 85 -2.927 7.101 2.272 1.00 0.00 H new ATOM 0 HB THR A 85 -1.750 7.215 4.405 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.883 10.074 4.051 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.393 8.177 3.614 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.412 7.215 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.479 8.992 2.294 1.00 0.00 H new ATOM 958 N ILE A 86 -4.643 9.190 4.175 1.00 0.00 N ATOM 959 CA ILE A 86 -5.825 9.348 4.992 1.00 0.00 C ATOM 960 C ILE A 86 -7.068 9.026 4.190 1.00 0.00 C ATOM 961 O ILE A 86 -7.992 8.429 4.708 1.00 0.00 O ATOM 962 CB ILE A 86 -5.900 10.743 5.687 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.771 11.862 4.666 1.00 0.00 C ATOM 964 CG2 ILE A 86 -4.836 10.865 6.764 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.500 13.220 5.238 1.00 0.00 C ATOM 0 H ILE A 86 -4.145 10.061 3.993 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.760 8.629 5.809 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.876 10.834 6.164 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.967 11.610 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.691 11.908 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.906 11.845 7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.988 10.089 7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.849 10.748 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.425 13.947 4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.314 13.502 5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.563 13.200 5.795 1.00 0.00 H new ATOM 977 N LEU A 87 -7.075 9.423 2.916 1.00 0.00 N ATOM 978 CA LEU A 87 -8.178 9.088 2.009 1.00 0.00 C ATOM 979 C LEU A 87 -8.352 7.594 1.867 1.00 0.00 C ATOM 980 O LEU A 87 -9.467 7.082 1.950 1.00 0.00 O ATOM 981 CB LEU A 87 -7.918 9.656 0.626 1.00 0.00 C ATOM 982 CG LEU A 87 -8.400 11.055 0.356 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.875 11.507 -0.999 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.921 11.046 0.344 1.00 0.00 C ATOM 0 H LEU A 87 -6.332 9.976 2.488 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.081 9.519 2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.843 9.628 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.381 8.992 -0.104 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.042 11.739 1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.220 12.521 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.785 11.489 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.244 10.835 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.289 12.053 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.275 10.373 -0.437 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.290 10.705 1.311 1.00 0.00 H new ATOM 996 N ALA A 88 -7.254 6.897 1.705 1.00 0.00 N ATOM 997 CA ALA A 88 -7.311 5.467 1.550 1.00 0.00 C ATOM 998 C ALA A 88 -7.719 4.795 2.842 1.00 0.00 C ATOM 999 O ALA A 88 -8.575 3.942 2.841 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.010 4.923 1.014 1.00 0.00 C ATOM 0 H ALA A 88 -6.315 7.295 1.677 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.080 5.238 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.084 3.841 0.908 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.802 5.369 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.202 5.165 1.705 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.151 5.227 3.947 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.494 4.664 5.247 1.00 0.00 C ATOM 1008 C VAL A 89 -8.987 4.877 5.564 1.00 0.00 C ATOM 1009 O VAL A 89 -9.688 3.967 5.955 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.623 5.273 6.383 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -7.081 4.766 7.731 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -5.156 4.938 6.178 1.00 0.00 C ATOM 0 H VAL A 89 -6.449 5.966 3.978 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.291 3.594 5.196 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.741 6.356 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.461 5.202 8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.121 5.049 7.892 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.992 3.680 7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.567 5.375 6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.026 3.856 6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.820 5.343 5.223 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.441 6.054 5.325 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.810 6.484 5.620 1.00 0.00 C ATOM 1024 C ASP A 90 -11.832 5.741 4.771 1.00 0.00 C ATOM 1025 O ASP A 90 -12.898 5.351 5.256 1.00 0.00 O ATOM 1026 CB ASP A 90 -10.917 7.994 5.390 1.00 0.00 C ATOM 1027 CG ASP A 90 -12.277 8.589 5.650 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.679 8.688 6.832 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -12.925 9.050 4.688 1.00 0.00 O ATOM 0 H ASP A 90 -8.871 6.788 4.905 1.00 0.00 H new ATOM 0 HA ASP A 90 -11.031 6.250 6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.191 8.495 6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.635 8.209 4.359 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.476 5.487 3.539 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.403 4.851 2.597 1.00 0.00 C ATOM 1036 C ASN A 91 -12.285 3.329 2.582 1.00 0.00 C ATOM 1037 O ASN A 91 -13.267 2.627 2.335 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.240 5.392 1.156 1.00 0.00 C ATOM 1039 CG ASN A 91 -12.722 6.832 0.946 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -12.681 7.669 1.843 1.00 0.00 O ATOM 1041 ND2 ASN A 91 -13.190 7.128 -0.247 1.00 0.00 N ATOM 0 H ASN A 91 -10.558 5.704 3.151 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.397 5.112 2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.187 5.333 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.786 4.739 0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.529 8.070 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -13.214 6.416 -0.977 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.122 2.816 2.893 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.867 1.378 2.763 1.00 0.00 C ATOM 1050 C LEU A 92 -11.038 0.650 4.053 1.00 0.00 C ATOM 1051 O LEU A 92 -11.353 -0.535 4.063 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.471 1.133 2.248 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.243 1.292 0.770 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.786 1.588 0.535 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.610 0.002 0.065 1.00 0.00 C ATOM 0 H LEU A 92 -10.330 3.359 3.238 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.603 0.997 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.796 1.812 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.182 0.120 2.527 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.857 2.105 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.606 1.706 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.514 2.508 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.181 0.765 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.446 0.114 -1.007 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.989 -0.809 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.659 -0.228 0.249 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.802 1.326 5.143 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.922 0.686 6.429 1.00 0.00 C ATOM 1069 C ASN A 93 -12.377 0.301 6.671 1.00 0.00 C ATOM 1070 O ASN A 93 -13.287 1.137 6.551 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.418 1.626 7.504 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.424 1.046 8.892 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -10.295 -0.167 9.087 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -10.515 1.899 9.861 1.00 0.00 N ATOM 0 H ASN A 93 -10.529 2.308 5.171 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.320 -0.222 6.455 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.401 1.930 7.255 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -11.031 2.527 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.481 1.577 10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.621 2.893 9.657 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.590 -0.960 6.956 1.00 0.00 N ATOM 1082 CA GLY A 94 -13.923 -1.467 7.179 1.00 0.00 C ATOM 1083 C GLY A 94 -14.596 -1.930 5.888 1.00 0.00 C ATOM 1084 O GLY A 94 -15.660 -2.553 5.932 1.00 0.00 O ATOM 0 H GLY A 94 -11.852 -1.659 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.879 -2.300 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.531 -0.690 7.644 1.00 0.00 H new ATOM 1088 N PHE A 95 -13.966 -1.655 4.750 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.518 -2.015 3.451 1.00 0.00 C ATOM 1090 C PHE A 95 -14.221 -3.475 3.169 1.00 0.00 C ATOM 1091 O PHE A 95 -13.123 -3.949 3.443 1.00 0.00 O ATOM 1092 CB PHE A 95 -13.937 -1.107 2.347 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.468 -1.373 0.967 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -15.734 -0.957 0.612 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -13.699 -2.035 0.023 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -16.226 -1.195 -0.655 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -14.190 -2.272 -1.239 1.00 0.00 C ATOM 1098 CZ PHE A 95 -15.451 -1.853 -1.579 1.00 0.00 C ATOM 0 H PHE A 95 -13.065 -1.180 4.703 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.598 -1.871 3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -14.142 -0.068 2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.853 -1.224 2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -16.348 -0.439 1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -12.705 -2.368 0.281 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -17.219 -0.864 -0.920 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -13.581 -2.790 -1.965 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.834 -2.040 -2.571 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.185 -4.179 2.648 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.040 -5.591 2.422 1.00 0.00 C ATOM 1110 C LYS A 96 -14.608 -5.883 1.015 1.00 0.00 C ATOM 1111 O LYS A 96 -15.263 -5.475 0.052 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.333 -6.379 2.733 1.00 0.00 C ATOM 1113 CG LYS A 96 -16.801 -6.366 4.195 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.350 -5.012 4.619 1.00 0.00 C ATOM 1115 CE LYS A 96 -17.832 -5.021 6.047 1.00 0.00 C ATOM 1116 NZ LYS A 96 -18.384 -3.709 6.445 1.00 0.00 N ATOM 0 H LYS A 96 -16.088 -3.795 2.369 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.265 -5.923 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.135 -5.979 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.183 -7.415 2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.570 -7.126 4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.967 -6.635 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.575 -4.254 4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.172 -4.732 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -18.596 -5.789 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -17.007 -5.284 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -18.736 -3.763 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -17.639 -2.986 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -19.166 -3.454 5.808 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.505 -6.564 0.897 1.00 0.00 N ATOM 1131 CA ILE A 97 -13.040 -7.056 -0.366 1.00 0.00 C ATOM 1132 C ILE A 97 -12.799 -8.538 -0.166 1.00 0.00 C ATOM 1133 O ILE A 97 -12.321 -8.938 0.895 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.703 -6.363 -0.805 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -11.879 -4.845 -0.894 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.226 -6.901 -2.142 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.643 -4.093 -1.351 1.00 0.00 C ATOM 0 H ILE A 97 -12.898 -6.795 1.683 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.772 -6.850 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.952 -6.588 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.696 -4.627 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.176 -4.469 0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.298 -6.404 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.054 -7.974 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.984 -6.711 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -10.859 -3.025 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.827 -4.276 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.355 -4.437 -2.344 1.00 0.00 H new ATOM 1149 N GLY A 98 -13.125 -9.346 -1.159 1.00 0.00 N ATOM 1150 CA GLY A 98 -12.949 -10.787 -1.066 1.00 0.00 C ATOM 1151 C GLY A 98 -13.675 -11.409 0.117 1.00 0.00 C ATOM 1152 O GLY A 98 -13.245 -12.436 0.645 1.00 0.00 O ATOM 0 H GLY A 98 -13.516 -9.027 -2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.306 -11.249 -1.986 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.885 -11.011 -0.989 1.00 0.00 H new ATOM 1156 N GLY A 99 -14.749 -10.767 0.553 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.522 -11.267 1.669 1.00 0.00 C ATOM 1158 C GLY A 99 -14.908 -10.955 3.033 1.00 0.00 C ATOM 1159 O GLY A 99 -15.393 -11.448 4.055 1.00 0.00 O ATOM 0 H GLY A 99 -15.101 -9.900 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.524 -10.840 1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -15.631 -12.347 1.569 1.00 0.00 H new ATOM 1163 N ARG A 100 -13.866 -10.146 3.070 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.222 -9.793 4.324 1.00 0.00 C ATOM 1165 C ARG A 100 -13.030 -8.283 4.414 1.00 0.00 C ATOM 1166 O ARG A 100 -12.772 -7.625 3.407 1.00 0.00 O ATOM 1167 CB ARG A 100 -11.894 -10.576 4.519 1.00 0.00 C ATOM 1168 CG ARG A 100 -10.898 -10.463 3.367 1.00 0.00 C ATOM 1169 CD ARG A 100 -9.629 -11.279 3.625 1.00 0.00 C ATOM 1170 NE ARG A 100 -9.884 -12.731 3.779 1.00 0.00 N ATOM 1171 CZ ARG A 100 -8.959 -13.671 4.095 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -7.685 -13.345 4.273 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -9.326 -14.940 4.220 1.00 0.00 N ATOM 0 H ARG A 100 -13.446 -9.719 2.244 1.00 0.00 H new ATOM 0 HA ARG A 100 -13.874 -10.088 5.146 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.413 -10.222 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.131 -11.629 4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.369 -10.806 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.632 -9.416 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.933 -11.125 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.143 -10.905 4.526 1.00 0.00 H new ATOM 0 HE ARG A 100 -10.841 -13.052 3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.388 -12.374 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.003 -14.065 4.510 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.301 -15.205 4.078 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.633 -15.650 4.458 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.208 -7.737 5.595 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.115 -6.299 5.800 1.00 0.00 C ATOM 1189 C ALA A 101 -11.679 -5.850 5.972 1.00 0.00 C ATOM 1190 O ALA A 101 -10.993 -6.283 6.897 1.00 0.00 O ATOM 1191 CB ALA A 101 -13.947 -5.871 7.001 1.00 0.00 C ATOM 0 H ALA A 101 -13.420 -8.268 6.440 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.512 -5.817 4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.863 -4.793 7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.991 -6.136 6.833 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.583 -6.378 7.895 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.244 -4.977 5.091 1.00 0.00 N ATOM 1198 CA LEU A 102 -9.906 -4.433 5.121 1.00 0.00 C ATOM 1199 C LEU A 102 -9.654 -3.582 6.332 1.00 0.00 C ATOM 1200 O LEU A 102 -10.545 -2.861 6.828 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.595 -3.615 3.869 1.00 0.00 C ATOM 1202 CG LEU A 102 -8.957 -4.355 2.702 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.732 -3.396 1.552 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.629 -4.936 3.143 1.00 0.00 C ATOM 0 H LEU A 102 -11.816 -4.621 4.325 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.245 -5.298 5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.524 -3.166 3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.933 -2.797 4.154 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.618 -5.158 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.275 -3.929 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.687 -2.977 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.071 -2.591 1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.169 -5.467 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.970 -4.131 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.791 -5.629 3.969 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.458 -3.669 6.816 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.021 -2.869 7.902 1.00 0.00 C ATOM 1218 C LYS A 103 -6.910 -1.988 7.427 1.00 0.00 C ATOM 1219 O LYS A 103 -5.912 -2.469 6.964 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.574 -3.730 9.098 1.00 0.00 C ATOM 1221 CG LYS A 103 -6.931 -2.954 10.257 1.00 0.00 C ATOM 1222 CD LYS A 103 -7.882 -1.937 10.878 1.00 0.00 C ATOM 1223 CE LYS A 103 -7.210 -1.165 12.017 1.00 0.00 C ATOM 1224 NZ LYS A 103 -6.756 -2.053 13.116 1.00 0.00 N ATOM 0 H LYS A 103 -7.749 -4.310 6.459 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.852 -2.257 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.440 -4.271 9.480 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.863 -4.476 8.743 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.605 -3.657 11.024 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.040 -2.440 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.220 -1.238 10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.767 -2.448 11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.356 -0.614 11.623 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.909 -0.429 12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -6.481 -1.477 13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.529 -2.694 13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.939 -2.612 12.796 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.094 -0.717 7.489 1.00 0.00 N ATOM 1239 CA ILE A 104 -6.045 0.173 7.081 1.00 0.00 C ATOM 1240 C ILE A 104 -5.666 0.967 8.293 1.00 0.00 C ATOM 1241 O ILE A 104 -6.548 1.393 9.057 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.468 1.160 5.968 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.462 0.527 4.988 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.225 1.610 5.198 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.930 -0.647 4.187 1.00 0.00 C ATOM 0 H ILE A 104 -7.949 -0.265 7.814 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.228 -0.423 6.674 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.959 2.010 6.443 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.337 0.196 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.800 1.296 4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.516 2.306 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.533 2.103 5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.739 0.742 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.712 -1.020 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.075 -0.324 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.620 -1.441 4.867 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.409 1.129 8.514 1.00 0.00 N ATOM 1258 CA ASP A 105 -3.945 1.845 9.665 1.00 0.00 C ATOM 1259 C ASP A 105 -2.716 2.640 9.294 1.00 0.00 C ATOM 1260 O ASP A 105 -2.014 2.288 8.352 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.639 0.854 10.791 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.400 1.525 12.113 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -4.323 2.179 12.625 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -2.298 1.430 12.652 1.00 0.00 O ATOM 0 H ASP A 105 -3.670 0.773 7.908 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.713 2.536 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.470 0.156 10.889 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.760 0.268 10.523 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.484 3.716 9.978 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.319 4.543 9.721 1.00 0.00 C ATOM 1271 C HIS A 106 -0.121 3.981 10.457 1.00 0.00 C ATOM 1272 O HIS A 106 -0.208 3.672 11.638 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.570 6.005 10.125 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.590 6.710 9.279 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -2.270 7.557 8.244 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -3.947 6.687 9.336 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -3.399 8.012 7.714 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -4.458 7.513 8.339 1.00 0.00 N ATOM 0 H HIS A 106 -3.085 4.055 10.729 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.117 4.531 8.650 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -1.895 6.032 11.165 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.629 6.552 10.071 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.535 6.119 10.042 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -3.449 8.699 6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -5.440 7.696 8.132 1.00 0.00 H new ATOM 1286 N THR A 107 0.982 3.848 9.778 1.00 0.00 N ATOM 1287 CA THR A 107 2.162 3.281 10.364 1.00 0.00 C ATOM 1288 C THR A 107 3.347 3.799 9.572 1.00 0.00 C ATOM 1289 O THR A 107 3.163 4.306 8.465 1.00 0.00 O ATOM 1290 CB THR A 107 2.127 1.702 10.261 1.00 0.00 C ATOM 1291 OG1 THR A 107 3.080 1.126 11.152 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.455 1.227 8.839 1.00 0.00 C ATOM 0 H THR A 107 1.089 4.129 8.803 1.00 0.00 H new ATOM 0 HA THR A 107 2.229 3.557 11.416 1.00 0.00 H new ATOM 0 HB THR A 107 1.118 1.385 10.525 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.047 0.149 11.080 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.422 0.138 8.803 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.724 1.635 8.141 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.452 1.570 8.562 1.00 0.00 H new ATOM 1300 N PHE A 108 4.532 3.727 10.112 1.00 0.00 N ATOM 1301 CA PHE A 108 5.662 4.000 9.297 1.00 0.00 C ATOM 1302 C PHE A 108 6.386 2.707 9.085 1.00 0.00 C ATOM 1303 O PHE A 108 7.009 2.160 9.992 1.00 0.00 O ATOM 1304 CB PHE A 108 6.585 5.047 9.924 1.00 0.00 C ATOM 1305 CG PHE A 108 6.035 6.453 9.908 1.00 0.00 C ATOM 1306 CD1 PHE A 108 5.017 6.837 10.765 1.00 0.00 C ATOM 1307 CD2 PHE A 108 6.547 7.389 9.028 1.00 0.00 C ATOM 1308 CE1 PHE A 108 4.523 8.126 10.740 1.00 0.00 C ATOM 1309 CE2 PHE A 108 6.059 8.675 9.002 1.00 0.00 C ATOM 1310 CZ PHE A 108 5.045 9.045 9.858 1.00 0.00 C ATOM 0 H PHE A 108 4.729 3.488 11.084 1.00 0.00 H new ATOM 0 HA PHE A 108 5.334 4.420 8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.790 4.762 10.956 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.538 5.037 9.395 1.00 0.00 H new ATOM 0 HD1 PHE A 108 4.605 6.120 11.460 1.00 0.00 H new ATOM 0 HD2 PHE A 108 7.341 7.107 8.352 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.728 8.413 11.412 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.471 9.395 8.310 1.00 0.00 H new ATOM 0 HZ PHE A 108 4.660 10.054 9.837 1.00 0.00 H new ATOM 1320 N TYR A 109 6.304 2.237 7.900 1.00 0.00 N ATOM 1321 CA TYR A 109 6.923 1.018 7.503 1.00 0.00 C ATOM 1322 C TYR A 109 8.090 1.358 6.640 1.00 0.00 C ATOM 1323 O TYR A 109 7.979 2.226 5.781 1.00 0.00 O ATOM 1324 CB TYR A 109 5.903 0.144 6.757 1.00 0.00 C ATOM 1325 CG TYR A 109 6.411 -1.201 6.261 1.00 0.00 C ATOM 1326 CD1 TYR A 109 7.177 -1.288 5.113 1.00 0.00 C ATOM 1327 CD2 TYR A 109 6.098 -2.378 6.927 1.00 0.00 C ATOM 1328 CE1 TYR A 109 7.621 -2.484 4.636 1.00 0.00 C ATOM 1329 CE2 TYR A 109 6.543 -3.600 6.458 1.00 0.00 C ATOM 1330 CZ TYR A 109 7.303 -3.649 5.309 1.00 0.00 C ATOM 1331 OH TYR A 109 7.739 -4.865 4.830 1.00 0.00 O ATOM 0 H TYR A 109 5.790 2.699 7.150 1.00 0.00 H new ATOM 0 HA TYR A 109 7.270 0.451 8.367 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.054 -0.032 7.417 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.530 0.707 5.901 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.430 -0.383 4.580 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.498 -2.339 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.218 -2.522 3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.297 -4.509 6.987 1.00 0.00 H new ATOM 0 HH TYR A 109 7.428 -5.581 5.423 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.705 14.854 -4.535 1.00 0.00 N ATOM 1498 CA ILE B 226 -6.444 14.378 -5.060 1.00 0.00 C ATOM 1499 C ILE B 226 -6.709 13.549 -6.305 1.00 0.00 C ATOM 1500 O ILE B 226 -7.610 12.689 -6.304 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.565 13.565 -4.020 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -5.022 14.456 -2.892 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -4.408 12.847 -4.687 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.956 14.674 -1.749 1.00 0.00 C ATOM 0 HA ILE B 226 -5.849 15.259 -5.301 1.00 0.00 H new ATOM 0 HB ILE B 226 -6.238 12.824 -3.587 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -4.103 14.011 -2.510 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.756 15.426 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.835 12.304 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.793 12.145 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.763 13.575 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -5.480 15.315 -1.007 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.867 15.151 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.204 13.715 -1.294 1.00 0.00 H new ATOM 1516 N MET B 227 -5.982 13.839 -7.365 1.00 0.00 N ATOM 1517 CA MET B 227 -6.127 13.124 -8.623 1.00 0.00 C ATOM 1518 C MET B 227 -5.599 11.685 -8.477 1.00 0.00 C ATOM 1519 O MET B 227 -4.711 11.423 -7.664 1.00 0.00 O ATOM 1520 CB MET B 227 -5.426 13.877 -9.780 1.00 0.00 C ATOM 1521 CG MET B 227 -3.927 13.984 -9.653 1.00 0.00 C ATOM 1522 SD MET B 227 -3.194 14.959 -10.983 1.00 0.00 S ATOM 1523 CE MET B 227 -1.478 14.972 -10.473 1.00 0.00 C ATOM 0 H MET B 227 -5.275 14.574 -7.382 1.00 0.00 H new ATOM 0 HA MET B 227 -7.186 13.073 -8.875 1.00 0.00 H new ATOM 0 HB2 MET B 227 -5.661 13.373 -10.717 1.00 0.00 H new ATOM 0 HB3 MET B 227 -5.843 14.882 -9.845 1.00 0.00 H new ATOM 0 HG2 MET B 227 -3.677 14.437 -8.694 1.00 0.00 H new ATOM 0 HG3 MET B 227 -3.492 12.984 -9.656 1.00 0.00 H new ATOM 0 HE1 MET B 227 -0.888 15.538 -11.194 1.00 0.00 H new ATOM 0 HE2 MET B 227 -1.394 15.437 -9.491 1.00 0.00 H new ATOM 0 HE3 MET B 227 -1.106 13.949 -10.423 1.00 0.00 H new ATOM 1533 N PRO B 228 -6.149 10.750 -9.247 1.00 0.00 N ATOM 1534 CA PRO B 228 -5.816 9.331 -9.142 1.00 0.00 C ATOM 1535 C PRO B 228 -4.421 8.970 -9.662 1.00 0.00 C ATOM 1536 O PRO B 228 -3.787 9.734 -10.424 1.00 0.00 O ATOM 1537 CB PRO B 228 -6.884 8.659 -9.999 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.246 9.686 -11.004 1.00 0.00 C ATOM 1539 CD PRO B 228 -7.144 10.998 -10.299 1.00 0.00 C ATOM 0 HA PRO B 228 -5.797 9.015 -8.099 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -6.503 7.755 -10.474 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -7.747 8.365 -9.401 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -6.573 9.649 -11.861 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -8.255 9.523 -11.384 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -6.824 11.792 -10.974 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -8.103 11.303 -9.880 1.00 0.00 H new ATOM 1547 N GLY B 229 -3.957 7.818 -9.236 1.00 0.00 N ATOM 1548 CA GLY B 229 -2.687 7.293 -9.653 1.00 0.00 C ATOM 1549 C GLY B 229 -2.773 6.564 -10.977 1.00 0.00 C ATOM 1550 O GLY B 229 -3.875 6.295 -11.493 1.00 0.00 O ATOM 0 H GLY B 229 -4.460 7.216 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -1.969 8.109 -9.736 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.310 6.612 -8.890 1.00 0.00 H new ATOM 1554 N SER B 230 -1.631 6.180 -11.482 1.00 0.00 N ATOM 1555 CA SER B 230 -1.499 5.582 -12.795 1.00 0.00 C ATOM 1556 C SER B 230 -1.998 4.134 -12.829 1.00 0.00 C ATOM 1557 O SER B 230 -2.214 3.579 -13.893 1.00 0.00 O ATOM 1558 CB SER B 230 -0.030 5.631 -13.201 1.00 0.00 C ATOM 1559 OG SER B 230 0.499 6.938 -12.985 1.00 0.00 O ATOM 0 H SER B 230 -0.745 6.274 -10.986 1.00 0.00 H new ATOM 0 HA SER B 230 -2.116 6.147 -13.493 1.00 0.00 H new ATOM 0 HB2 SER B 230 0.538 4.901 -12.624 1.00 0.00 H new ATOM 0 HB3 SER B 230 0.074 5.358 -14.251 1.00 0.00 H new ATOM 0 HG SER B 230 1.443 6.956 -13.248 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.192 3.528 -11.675 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.605 2.124 -11.644 1.00 0.00 C ATOM 1567 C ARG B 231 -4.118 1.984 -11.616 1.00 0.00 C ATOM 1568 O ARG B 231 -4.641 0.880 -11.698 1.00 0.00 O ATOM 1569 CB ARG B 231 -1.998 1.402 -10.447 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.487 1.462 -10.389 1.00 0.00 C ATOM 1571 CD ARG B 231 0.171 0.737 -11.557 1.00 0.00 C ATOM 1572 NE ARG B 231 1.634 0.740 -11.434 1.00 0.00 N ATOM 1573 CZ ARG B 231 2.502 0.524 -12.430 1.00 0.00 C ATOM 1574 NH1 ARG B 231 2.069 0.306 -13.670 1.00 0.00 N ATOM 1575 NH2 ARG B 231 3.804 0.548 -12.182 1.00 0.00 N ATOM 0 H ARG B 231 -2.076 3.966 -10.761 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.236 1.664 -12.560 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.403 1.834 -9.532 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.309 0.357 -10.471 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.168 2.504 -10.386 1.00 0.00 H new ATOM 0 HG3 ARG B 231 -0.145 1.021 -9.453 1.00 0.00 H new ATOM 0 HD2 ARG B 231 -0.190 -0.291 -11.599 1.00 0.00 H new ATOM 0 HD3 ARG B 231 -0.118 1.215 -12.493 1.00 0.00 H new ATOM 0 HE ARG B 231 2.023 0.923 -10.509 1.00 0.00 H new ATOM 0 HH11 ARG B 231 1.068 0.303 -13.868 1.00 0.00 H new ATOM 0 HH12 ARG B 231 2.738 0.142 -14.422 1.00 0.00 H new ATOM 0 HH21 ARG B 231 4.140 0.730 -11.236 1.00 0.00 H new ATOM 0 HH22 ARG B 231 4.470 0.384 -12.937 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.814 3.092 -11.496 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.256 3.054 -11.433 1.00 0.00 C ATOM 1591 C TRP B 232 -6.878 2.821 -12.775 1.00 0.00 C ATOM 1592 O TRP B 232 -6.674 3.572 -13.744 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.867 4.296 -10.763 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.363 4.195 -10.544 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.056 3.117 -10.052 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.338 5.211 -10.778 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.390 3.402 -9.986 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.590 4.680 -10.413 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.279 6.517 -11.258 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.760 5.404 -10.515 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.448 7.240 -11.359 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.672 6.684 -10.987 1.00 0.00 C ATOM 0 H TRP B 232 -4.407 4.026 -11.440 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.490 2.200 -10.798 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.378 4.457 -9.802 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.657 5.171 -11.379 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.610 2.178 -9.759 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.118 2.762 -9.669 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.335 6.955 -11.546 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.710 4.975 -10.232 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.416 8.253 -11.732 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.570 7.278 -11.074 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.603 1.771 -12.808 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.438 1.399 -13.877 1.00 0.00 C ATOM 1615 C ASP B 233 -9.782 1.406 -13.253 1.00 0.00 C ATOM 1616 O ASP B 233 -9.838 1.185 -12.072 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.101 0.000 -14.384 1.00 0.00 C ATOM 1618 CG ASP B 233 -9.000 -0.428 -15.520 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -8.746 -0.046 -16.674 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -9.981 -1.132 -15.275 1.00 0.00 O ATOM 0 H ASP B 233 -7.629 1.105 -12.036 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.344 2.058 -14.740 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.063 -0.024 -14.716 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.190 -0.713 -13.564 1.00 0.00 H new ATOM 1625 N GLY B 234 -10.797 1.722 -14.024 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.229 1.864 -13.641 1.00 0.00 C ATOM 1627 C GLY B 234 -12.812 0.755 -12.771 1.00 0.00 C ATOM 1628 O GLY B 234 -13.759 0.056 -13.140 1.00 0.00 O ATOM 0 H GLY B 234 -10.658 1.906 -15.018 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.349 2.810 -13.114 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -12.822 1.930 -14.553 1.00 0.00 H new ATOM 1714 N GLY B 240 -19.022 3.660 2.160 1.00 0.00 N ATOM 1715 CA GLY B 240 -20.345 4.159 2.264 1.00 0.00 C ATOM 1716 C GLY B 240 -21.340 3.056 2.358 1.00 0.00 C ATOM 1717 O GLY B 240 -21.913 2.647 1.365 1.00 0.00 O ATOM 0 HA2 GLY B 240 -20.425 4.798 3.143 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -20.570 4.780 1.397 1.00 0.00 H new ATOM 1721 N PHE B 241 -21.483 2.509 3.526 1.00 0.00 N ATOM 1722 CA PHE B 241 -22.498 1.500 3.764 1.00 0.00 C ATOM 1723 C PHE B 241 -23.874 2.154 3.899 1.00 0.00 C ATOM 1724 O PHE B 241 -24.883 1.610 3.477 1.00 0.00 O ATOM 1725 CB PHE B 241 -22.150 0.607 4.982 1.00 0.00 C ATOM 1726 CG PHE B 241 -21.835 1.350 6.268 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -22.845 1.759 7.123 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -20.524 1.626 6.616 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -22.556 2.430 8.293 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -20.227 2.296 7.787 1.00 0.00 C ATOM 1731 CZ PHE B 241 -21.244 2.699 8.626 1.00 0.00 C ATOM 0 H PHE B 241 -20.912 2.738 4.340 1.00 0.00 H new ATOM 0 HA PHE B 241 -22.528 0.835 2.901 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -22.987 -0.066 5.168 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -21.293 -0.014 4.722 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -23.874 1.549 6.870 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -19.722 1.313 5.963 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -23.355 2.744 8.948 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -19.199 2.504 8.045 1.00 0.00 H new ATOM 0 HZ PHE B 241 -21.015 3.224 9.542 1.00 0.00 H new ATOM 1741 N GLU B 242 -23.879 3.349 4.456 1.00 0.00 N ATOM 1742 CA GLU B 242 -25.096 4.086 4.733 1.00 0.00 C ATOM 1743 C GLU B 242 -25.805 4.515 3.434 1.00 0.00 C ATOM 1744 O GLU B 242 -27.039 4.448 3.332 1.00 0.00 O ATOM 1745 CB GLU B 242 -24.757 5.270 5.619 1.00 0.00 C ATOM 1746 CG GLU B 242 -25.931 6.089 6.081 1.00 0.00 C ATOM 1747 CD GLU B 242 -25.481 7.193 6.974 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -25.029 8.232 6.464 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -25.537 7.041 8.206 1.00 0.00 O ATOM 0 H GLU B 242 -23.029 3.841 4.732 1.00 0.00 H new ATOM 0 HA GLU B 242 -25.801 3.442 5.259 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -24.223 4.904 6.496 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -24.071 5.922 5.078 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -26.455 6.502 5.219 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -26.640 5.452 6.610 1.00 0.00 H new ATOM 1756 N GLU B 243 -25.020 4.926 2.439 1.00 0.00 N ATOM 1757 CA GLU B 243 -25.555 5.317 1.137 1.00 0.00 C ATOM 1758 C GLU B 243 -26.297 4.164 0.491 1.00 0.00 C ATOM 1759 O GLU B 243 -27.262 4.367 -0.196 1.00 0.00 O ATOM 1760 CB GLU B 243 -24.475 5.812 0.181 1.00 0.00 C ATOM 1761 CG GLU B 243 -23.408 4.791 -0.127 1.00 0.00 C ATOM 1762 CD GLU B 243 -22.556 5.191 -1.275 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -21.685 6.056 -1.116 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -22.730 4.631 -2.380 1.00 0.00 O ATOM 0 H GLU B 243 -24.005 4.997 2.512 1.00 0.00 H new ATOM 0 HA GLU B 243 -26.241 6.142 1.327 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -24.946 6.122 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -24.003 6.696 0.610 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -22.782 4.647 0.754 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -23.879 3.832 -0.344 1.00 0.00 H new ATOM 1771 N LYS B 244 -25.818 2.953 0.721 1.00 0.00 N ATOM 1772 CA LYS B 244 -26.408 1.755 0.158 1.00 0.00 C ATOM 1773 C LYS B 244 -27.835 1.593 0.661 1.00 0.00 C ATOM 1774 O LYS B 244 -28.739 1.217 -0.097 1.00 0.00 O ATOM 1775 CB LYS B 244 -25.563 0.564 0.565 1.00 0.00 C ATOM 1776 CG LYS B 244 -24.092 0.734 0.217 1.00 0.00 C ATOM 1777 CD LYS B 244 -23.845 0.660 -1.269 1.00 0.00 C ATOM 1778 CE LYS B 244 -22.380 0.885 -1.605 1.00 0.00 C ATOM 1779 NZ LYS B 244 -22.138 0.856 -3.065 1.00 0.00 N ATOM 0 H LYS B 244 -25.003 2.775 1.308 1.00 0.00 H new ATOM 0 HA LYS B 244 -26.437 1.827 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -25.661 0.406 1.639 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -25.946 -0.331 0.075 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -23.740 1.694 0.595 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -23.510 -0.039 0.719 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -24.159 -0.315 -1.642 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -24.454 1.407 -1.777 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -22.059 1.846 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -21.775 0.118 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -21.127 1.013 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -22.421 -0.070 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -22.696 1.604 -3.524 1.00 0.00 H new ATOM 1793 N TRP B 245 -28.036 1.938 1.925 1.00 0.00 N ATOM 1794 CA TRP B 245 -29.342 1.869 2.560 1.00 0.00 C ATOM 1795 C TRP B 245 -30.252 2.938 1.971 1.00 0.00 C ATOM 1796 O TRP B 245 -31.447 2.707 1.722 1.00 0.00 O ATOM 1797 CB TRP B 245 -29.224 2.088 4.065 1.00 0.00 C ATOM 1798 CG TRP B 245 -28.274 1.162 4.761 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -27.863 -0.070 4.344 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -27.642 1.390 6.020 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -26.999 -0.605 5.252 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -26.850 0.264 6.296 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -27.666 2.442 6.938 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -26.088 0.157 7.453 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -26.911 2.336 8.085 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -26.133 1.202 8.335 1.00 0.00 C ATOM 0 H TRP B 245 -27.295 2.274 2.540 1.00 0.00 H new ATOM 0 HA TRP B 245 -29.761 0.879 2.379 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -28.906 3.115 4.245 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -30.212 1.977 4.513 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -28.176 -0.551 3.429 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -26.537 -1.510 5.166 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -28.265 3.321 6.752 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -25.484 -0.717 7.648 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -26.920 3.143 8.803 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -25.554 1.149 9.245 1.00 0.00 H new ATOM 1817 N PHE B 246 -29.672 4.089 1.740 1.00 0.00 N ATOM 1818 CA PHE B 246 -30.346 5.223 1.142 1.00 0.00 C ATOM 1819 C PHE B 246 -30.645 4.960 -0.342 1.00 0.00 C ATOM 1820 O PHE B 246 -31.650 5.397 -0.876 1.00 0.00 O ATOM 1821 CB PHE B 246 -29.480 6.485 1.346 1.00 0.00 C ATOM 1822 CG PHE B 246 -29.642 7.548 0.299 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -30.698 8.439 0.324 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -28.724 7.632 -0.728 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -30.829 9.397 -0.662 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -28.844 8.576 -1.710 1.00 0.00 C ATOM 1827 CZ PHE B 246 -29.899 9.466 -1.682 1.00 0.00 C ATOM 0 H PHE B 246 -28.694 4.272 1.967 1.00 0.00 H new ATOM 0 HA PHE B 246 -31.308 5.381 1.629 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -29.718 6.916 2.318 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -28.432 6.186 1.378 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -31.426 8.386 1.120 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -27.896 6.940 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -31.656 10.091 -0.636 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -28.115 8.625 -2.506 1.00 0.00 H new ATOM 0 HZ PHE B 246 -29.997 10.214 -2.455 1.00 0.00 H new ATOM 1837 N ALA B 247 -29.796 4.240 -0.983 1.00 0.00 N ATOM 1838 CA ALA B 247 -29.988 3.936 -2.368 1.00 0.00 C ATOM 1839 C ALA B 247 -31.102 2.919 -2.544 1.00 0.00 C ATOM 1840 O ALA B 247 -31.841 2.972 -3.509 1.00 0.00 O ATOM 1841 CB ALA B 247 -28.693 3.460 -2.993 1.00 0.00 C ATOM 0 H ALA B 247 -28.951 3.844 -0.572 1.00 0.00 H new ATOM 0 HA ALA B 247 -30.290 4.846 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -28.859 3.234 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -27.938 4.241 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -28.349 2.562 -2.479 1.00 0.00 H new ATOM 1847 N LYS B 248 -31.275 2.035 -1.566 1.00 0.00 N ATOM 1848 CA LYS B 248 -32.280 0.987 -1.677 1.00 0.00 C ATOM 1849 C LYS B 248 -33.638 1.459 -1.181 1.00 0.00 C ATOM 1850 O LYS B 248 -34.648 0.812 -1.410 1.00 0.00 O ATOM 1851 CB LYS B 248 -31.834 -0.286 -0.944 1.00 0.00 C ATOM 1852 CG LYS B 248 -31.726 -0.176 0.575 1.00 0.00 C ATOM 1853 CD LYS B 248 -32.995 -0.672 1.263 1.00 0.00 C ATOM 1854 CE LYS B 248 -32.961 -0.447 2.770 1.00 0.00 C ATOM 1855 NZ LYS B 248 -33.161 0.976 3.129 1.00 0.00 N ATOM 0 H LYS B 248 -30.739 2.024 -0.698 1.00 0.00 H new ATOM 0 HA LYS B 248 -32.385 0.746 -2.735 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -32.537 -1.085 -1.182 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -30.863 -0.588 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -30.872 -0.756 0.923 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -31.541 0.862 0.854 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -33.859 -0.159 0.841 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -33.124 -1.735 1.059 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -33.735 -1.051 3.243 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -32.004 -0.788 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -33.130 1.081 4.163 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -32.408 1.551 2.700 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -34.085 1.296 2.776 1.00 0.00 H new ATOM 1869 N GLN B 249 -33.647 2.603 -0.517 1.00 0.00 N ATOM 1870 CA GLN B 249 -34.874 3.179 0.044 1.00 0.00 C ATOM 1871 C GLN B 249 -35.694 3.884 -1.039 1.00 0.00 C ATOM 1872 O GLN B 249 -36.719 4.515 -0.755 1.00 0.00 O ATOM 1873 CB GLN B 249 -34.570 4.139 1.198 1.00 0.00 C ATOM 1874 CG GLN B 249 -34.030 5.491 0.786 1.00 0.00 C ATOM 1875 CD GLN B 249 -33.723 6.421 1.947 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -33.336 5.873 3.066 1.00 0.00 O flip ATOM 1877 NE2 GLN B 249 -33.820 7.642 1.821 1.00 0.00 N flip ATOM 0 H GLN B 249 -32.811 3.163 -0.348 1.00 0.00 H new ATOM 0 HA GLN B 249 -35.466 2.355 0.443 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -35.483 4.290 1.774 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -33.849 3.665 1.863 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -33.121 5.344 0.203 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -34.754 5.974 0.130 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -34.125 8.040 0.933 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -33.595 8.255 2.605 1.00 0.00 H new ATOM 1886 N ASN B 250 -35.201 3.800 -2.270 1.00 0.00 N ATOM 1887 CA ASN B 250 -35.893 4.352 -3.441 1.00 0.00 C ATOM 1888 C ASN B 250 -37.287 3.738 -3.538 1.00 0.00 C ATOM 1889 O ASN B 250 -38.267 4.401 -3.893 1.00 0.00 O ATOM 1890 CB ASN B 250 -35.102 4.104 -4.751 1.00 0.00 C ATOM 1891 CG ASN B 250 -35.015 2.643 -5.152 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -35.848 2.131 -5.891 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -34.019 1.979 -4.686 1.00 0.00 N ATOM 0 H ASN B 250 -34.313 3.349 -2.489 1.00 0.00 H new ATOM 0 HA ASN B 250 -35.972 5.432 -3.313 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -35.572 4.665 -5.559 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -34.093 4.499 -4.634 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -33.904 0.995 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -33.344 2.436 -4.073 1.00 0.00 H new ATOM 1900 N GLU B 251 -37.337 2.480 -3.193 1.00 0.00 N ATOM 1901 CA GLU B 251 -38.506 1.694 -3.105 1.00 0.00 C ATOM 1902 C GLU B 251 -38.645 1.298 -1.647 1.00 0.00 C ATOM 1903 O GLU B 251 -37.637 1.230 -0.930 1.00 0.00 O ATOM 1904 CB GLU B 251 -38.336 0.486 -4.009 1.00 0.00 C ATOM 1905 CG GLU B 251 -37.057 -0.283 -3.763 1.00 0.00 C ATOM 1906 CD GLU B 251 -36.919 -1.487 -4.639 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -36.558 -1.351 -5.815 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -37.113 -2.618 -4.149 1.00 0.00 O ATOM 0 H GLU B 251 -36.496 1.955 -2.952 1.00 0.00 H new ATOM 0 HA GLU B 251 -39.404 2.223 -3.426 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -39.185 -0.184 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -38.357 0.815 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -36.206 0.378 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -37.022 -0.595 -2.719 1.00 0.00 H new ATOM 1915 N ILE B 252 -39.836 1.054 -1.191 1.00 0.00 N ATOM 1916 CA ILE B 252 -40.042 0.815 0.238 1.00 0.00 C ATOM 1917 C ILE B 252 -40.825 -0.457 0.523 1.00 0.00 C ATOM 1918 O ILE B 252 -40.660 -1.073 1.574 1.00 0.00 O ATOM 1919 CB ILE B 252 -40.767 2.009 0.916 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -42.078 2.316 0.174 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -39.857 3.241 0.975 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -42.911 3.403 0.789 1.00 0.00 C ATOM 0 H ILE B 252 -40.679 1.012 -1.763 1.00 0.00 H new ATOM 0 HA ILE B 252 -39.042 0.701 0.657 1.00 0.00 H new ATOM 0 HB ILE B 252 -41.009 1.736 1.943 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -41.841 2.596 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -42.674 1.404 0.126 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -40.388 4.063 1.454 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -38.961 3.004 1.549 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -39.574 3.533 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -43.814 3.548 0.197 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -43.185 3.120 1.805 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -42.339 4.331 0.812 1.00 0.00 H new ATOM 1934 N ASN B 253 -41.667 -0.846 -0.397 1.00 0.00 N ATOM 1935 CA ASN B 253 -42.559 -1.996 -0.171 1.00 0.00 C ATOM 1936 C ASN B 253 -42.243 -3.097 -1.170 1.00 0.00 C ATOM 1937 O ASN B 253 -42.498 -4.281 -0.917 1.00 0.00 O ATOM 1938 CB ASN B 253 -44.035 -1.556 -0.368 1.00 0.00 C ATOM 1939 CG ASN B 253 -44.337 -1.285 -1.832 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -44.809 -2.154 -2.554 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -44.032 -0.107 -2.285 1.00 0.00 N ATOM 0 H ASN B 253 -41.768 -0.400 -1.309 1.00 0.00 H new ATOM 0 HA ASN B 253 -42.411 -2.364 0.844 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -44.702 -2.333 0.006 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -44.231 -0.658 0.219 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -44.184 0.116 -3.269 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -43.640 0.595 -1.657 1.00 0.00 H new ATOM 1948 N GLU B 254 -41.678 -2.671 -2.285 1.00 0.00 N ATOM 1949 CA GLU B 254 -41.407 -3.464 -3.454 1.00 0.00 C ATOM 1950 C GLU B 254 -40.650 -4.757 -3.182 1.00 0.00 C ATOM 1951 O GLU B 254 -39.819 -4.853 -2.258 1.00 0.00 O ATOM 1952 CB GLU B 254 -40.672 -2.619 -4.486 1.00 0.00 C ATOM 1953 CG GLU B 254 -41.488 -1.599 -5.240 1.00 0.00 C ATOM 1954 CD GLU B 254 -41.877 -0.388 -4.402 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -41.344 -0.195 -3.272 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -42.742 0.394 -4.840 1.00 0.00 O ATOM 0 H GLU B 254 -41.381 -1.702 -2.398 1.00 0.00 H new ATOM 0 HA GLU B 254 -42.377 -3.779 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -39.860 -2.097 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -40.215 -3.292 -5.212 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -40.921 -1.263 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -42.393 -2.076 -5.616 1.00 0.00 H new