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 93 ASN : amide:sc= -0.951 K(o=-0.95,f=-3.7!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.189 K(o=-0.19,f=-0.7) USER MOD Single : A 39 ASN : amide:sc= -3.78! C(o=-3.8!,f=-9.2!) USER MOD Single : A 43 THR OG1 : rot -65:sc= 1.24 USER MOD Single : A 49 THR OG1 : rot -54:sc= 0.771 USER MOD Single : A 52 SER OG : rot 76:sc= -0.772! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 179:sc= 1.25 USER MOD Single : A 72 GLN : amide:sc= -0.552 K(o=-0.55,f=-4.2!) USER MOD Single : A 76 TYR OH : rot -2:sc= 0.461 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot -24:sc= 0.206 USER MOD Single : A 82 GLN : amide:sc= -0.791 K(o=-0.79,f=-2.9!) USER MOD Single : A 84 SER OG : rot 160:sc= -1.63 USER MOD Single : A 85 THR OG1 : rot -43:sc= 1.06 USER MOD Single : A 91 ASN : amide:sc= -1.01 K(o=-1,f=-0.03) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc= 1.19 (180deg=0.895) USER MOD Single : A 106 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.77) 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 165:sc= -0.121 (180deg=-0.493) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 244 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.21) USER MOD Single : B 248 LYS NZ :NH3+ 172:sc=-0.00534 (180deg=-0.0687) USER MOD Single : B 249 GLN : amide:sc= -2.72 K(o=-2.7,f=-1.3) USER MOD Single : B 250 ASN : amide:sc= 1.1 K(o=1.1,f=-0.19) USER MOD Single : B 253 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 101 N ALA A 31 3.962 8.823 4.534 1.00 0.00 N ATOM 102 CA ALA A 31 3.266 8.337 3.354 1.00 0.00 C ATOM 103 C ALA A 31 3.016 6.845 3.424 1.00 0.00 C ATOM 104 O ALA A 31 2.486 6.259 2.484 1.00 0.00 O ATOM 105 CB ALA A 31 4.072 8.663 2.110 1.00 0.00 C ATOM 0 HA ALA A 31 2.298 8.837 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.545 8.296 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.201 9.743 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.049 8.185 2.174 1.00 0.00 H new ATOM 111 N TYR A 32 3.383 6.246 4.526 1.00 0.00 N ATOM 112 CA TYR A 32 3.279 4.816 4.679 1.00 0.00 C ATOM 113 C TYR A 32 1.989 4.462 5.387 1.00 0.00 C ATOM 114 O TYR A 32 1.519 5.221 6.245 1.00 0.00 O ATOM 115 CB TYR A 32 4.449 4.291 5.508 1.00 0.00 C ATOM 116 CG TYR A 32 5.812 4.802 5.080 1.00 0.00 C ATOM 117 CD1 TYR A 32 6.192 4.820 3.749 1.00 0.00 C ATOM 118 CD2 TYR A 32 6.719 5.259 6.020 1.00 0.00 C ATOM 119 CE1 TYR A 32 7.428 5.283 3.366 1.00 0.00 C ATOM 120 CE2 TYR A 32 7.960 5.722 5.648 1.00 0.00 C ATOM 121 CZ TYR A 32 8.313 5.733 4.321 1.00 0.00 C ATOM 122 OH TYR A 32 9.556 6.215 3.939 1.00 0.00 O ATOM 0 H TYR A 32 3.761 6.731 5.340 1.00 0.00 H new ATOM 0 HA TYR A 32 3.294 4.362 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.287 4.561 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 32 4.452 3.202 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 32 5.504 4.463 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.448 5.252 7.065 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.704 5.294 2.322 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.654 6.075 6.397 1.00 0.00 H new ATOM 0 HH TYR A 32 10.057 6.493 4.734 1.00 0.00 H new ATOM 132 N ILE A 33 1.412 3.345 5.023 1.00 0.00 N ATOM 133 CA ILE A 33 0.233 2.823 5.681 1.00 0.00 C ATOM 134 C ILE A 33 0.327 1.333 5.804 1.00 0.00 C ATOM 135 O ILE A 33 1.104 0.686 5.086 1.00 0.00 O ATOM 136 CB ILE A 33 -1.091 3.162 4.964 1.00 0.00 C ATOM 137 CG1 ILE A 33 -1.015 2.800 3.480 1.00 0.00 C ATOM 138 CG2 ILE A 33 -1.465 4.617 5.172 1.00 0.00 C ATOM 139 CD1 ILE A 33 -2.339 2.858 2.779 1.00 0.00 C ATOM 0 H ILE A 33 1.748 2.764 4.255 1.00 0.00 H new ATOM 0 HA ILE A 33 0.210 3.307 6.658 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.884 2.559 5.406 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.321 3.479 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.604 1.795 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.402 4.829 4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.585 4.813 6.237 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.678 5.256 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.208 2.589 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.031 2.159 3.249 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.743 3.868 2.847 1.00 0.00 H new ATOM 151 N TYR A 34 -0.449 0.801 6.697 1.00 0.00 N ATOM 152 CA TYR A 34 -0.519 -0.587 6.928 1.00 0.00 C ATOM 153 C TYR A 34 -1.861 -1.088 6.464 1.00 0.00 C ATOM 154 O TYR A 34 -2.898 -0.548 6.853 1.00 0.00 O ATOM 155 CB TYR A 34 -0.338 -0.861 8.420 1.00 0.00 C ATOM 156 CG TYR A 34 -0.653 -2.258 8.819 1.00 0.00 C ATOM 157 CD1 TYR A 34 0.215 -3.291 8.547 1.00 0.00 C ATOM 158 CD2 TYR A 34 -1.835 -2.535 9.460 1.00 0.00 C ATOM 159 CE1 TYR A 34 -0.089 -4.582 8.903 1.00 0.00 C ATOM 160 CE2 TYR A 34 -2.161 -3.808 9.830 1.00 0.00 C ATOM 161 CZ TYR A 34 -1.277 -4.843 9.545 1.00 0.00 C ATOM 162 OH TYR A 34 -1.581 -6.139 9.901 1.00 0.00 O ATOM 0 H TYR A 34 -1.066 1.348 7.298 1.00 0.00 H new ATOM 0 HA TYR A 34 0.269 -1.102 6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.692 -0.638 8.698 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.975 -0.180 8.984 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.149 -3.083 8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.521 -1.729 9.676 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.598 -5.385 8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.093 -4.009 10.337 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.453 -6.160 10.347 1.00 0.00 H new ATOM 172 N ILE A 35 -1.844 -2.068 5.623 1.00 0.00 N ATOM 173 CA ILE A 35 -3.054 -2.683 5.164 1.00 0.00 C ATOM 174 C ILE A 35 -3.103 -4.080 5.756 1.00 0.00 C ATOM 175 O ILE A 35 -2.136 -4.828 5.660 1.00 0.00 O ATOM 176 CB ILE A 35 -3.067 -2.810 3.630 1.00 0.00 C ATOM 177 CG1 ILE A 35 -2.642 -1.505 2.987 1.00 0.00 C ATOM 178 CG2 ILE A 35 -4.488 -3.145 3.169 1.00 0.00 C ATOM 179 CD1 ILE A 35 -2.014 -1.689 1.636 1.00 0.00 C ATOM 0 H ILE A 35 -0.992 -2.469 5.231 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.906 -2.075 5.467 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.373 -3.597 3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.511 -0.855 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.935 -0.997 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.506 -3.237 2.083 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.804 -4.087 3.618 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.167 -2.350 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.732 -0.717 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.126 -2.314 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.727 -2.169 0.966 1.00 0.00 H new ATOM 191 N GLY A 36 -4.186 -4.407 6.361 1.00 0.00 N ATOM 192 CA GLY A 36 -4.372 -5.691 6.952 1.00 0.00 C ATOM 193 C GLY A 36 -5.675 -6.290 6.500 1.00 0.00 C ATOM 194 O GLY A 36 -6.518 -5.578 5.941 1.00 0.00 O ATOM 0 H GLY A 36 -4.985 -3.782 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.547 -6.348 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.362 -5.604 8.038 1.00 0.00 H new ATOM 198 N ASN A 37 -5.835 -7.577 6.743 1.00 0.00 N ATOM 199 CA ASN A 37 -7.017 -8.373 6.355 1.00 0.00 C ATOM 200 C ASN A 37 -7.083 -8.570 4.847 1.00 0.00 C ATOM 201 O ASN A 37 -8.159 -8.568 4.249 1.00 0.00 O ATOM 202 CB ASN A 37 -8.355 -7.804 6.874 1.00 0.00 C ATOM 203 CG ASN A 37 -8.448 -7.696 8.381 1.00 0.00 C ATOM 204 OD1 ASN A 37 -7.778 -8.413 9.127 1.00 0.00 O ATOM 205 ND2 ASN A 37 -9.323 -6.852 8.842 1.00 0.00 N ATOM 0 H ASN A 37 -5.130 -8.129 7.232 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.881 -9.339 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.507 -6.815 6.441 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.167 -8.437 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.471 -6.769 9.848 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.862 -6.273 8.198 1.00 0.00 H new ATOM 212 N LEU A 38 -5.929 -8.771 4.240 1.00 0.00 N ATOM 213 CA LEU A 38 -5.844 -9.033 2.805 1.00 0.00 C ATOM 214 C LEU A 38 -6.388 -10.395 2.454 1.00 0.00 C ATOM 215 O LEU A 38 -6.411 -11.310 3.280 1.00 0.00 O ATOM 216 CB LEU A 38 -4.403 -8.918 2.259 1.00 0.00 C ATOM 217 CG LEU A 38 -3.935 -7.545 1.774 1.00 0.00 C ATOM 218 CD1 LEU A 38 -4.751 -7.098 0.579 1.00 0.00 C ATOM 219 CD2 LEU A 38 -4.026 -6.526 2.866 1.00 0.00 C ATOM 0 H LEU A 38 -5.028 -8.759 4.717 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.454 -8.262 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.720 -9.248 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.301 -9.619 1.431 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.890 -7.636 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.404 -6.119 0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.634 -7.818 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.802 -7.035 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.687 -5.560 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.060 -6.443 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.398 -6.832 3.702 1.00 0.00 H new ATOM 231 N ASN A 39 -6.837 -10.510 1.238 1.00 0.00 N ATOM 232 CA ASN A 39 -7.326 -11.757 0.699 1.00 0.00 C ATOM 233 C ASN A 39 -6.149 -12.462 0.060 1.00 0.00 C ATOM 234 O ASN A 39 -5.239 -11.803 -0.457 1.00 0.00 O ATOM 235 CB ASN A 39 -8.381 -11.471 -0.380 1.00 0.00 C ATOM 236 CG ASN A 39 -9.221 -12.683 -0.790 1.00 0.00 C ATOM 237 OD1 ASN A 39 -8.811 -13.833 -0.671 1.00 0.00 O ATOM 238 ND2 ASN A 39 -10.343 -12.423 -1.367 1.00 0.00 N ATOM 0 H ASN A 39 -6.877 -9.732 0.579 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.774 -12.367 1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.049 -10.689 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.879 -11.078 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.914 -13.183 -1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.661 -11.458 -1.453 1.00 0.00 H new ATOM 245 N ARG A 40 -6.183 -13.776 0.053 1.00 0.00 N ATOM 246 CA ARG A 40 -5.129 -14.592 -0.527 1.00 0.00 C ATOM 247 C ARG A 40 -4.999 -14.344 -2.039 1.00 0.00 C ATOM 248 O ARG A 40 -3.957 -14.596 -2.636 1.00 0.00 O ATOM 249 CB ARG A 40 -5.369 -16.096 -0.181 1.00 0.00 C ATOM 250 CG ARG A 40 -6.664 -16.740 -0.726 1.00 0.00 C ATOM 251 CD ARG A 40 -6.544 -17.073 -2.205 1.00 0.00 C ATOM 252 NE ARG A 40 -7.725 -17.733 -2.747 1.00 0.00 N ATOM 253 CZ ARG A 40 -7.900 -18.039 -4.042 1.00 0.00 C ATOM 254 NH1 ARG A 40 -6.954 -17.750 -4.941 1.00 0.00 N ATOM 255 NH2 ARG A 40 -9.010 -18.656 -4.429 1.00 0.00 N ATOM 0 H ARG A 40 -6.949 -14.318 0.453 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.173 -14.303 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.521 -16.670 -0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.370 -16.199 0.904 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.884 -17.648 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.502 -16.060 -0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.362 -16.155 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.676 -17.715 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.471 -17.980 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.091 -17.294 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.095 -17.986 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.726 -18.896 -3.743 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.147 -18.890 -5.412 1.00 0.00 H new ATOM 269 N GLU A 41 -6.071 -13.831 -2.640 1.00 0.00 N ATOM 270 CA GLU A 41 -6.097 -13.585 -4.076 1.00 0.00 C ATOM 271 C GLU A 41 -5.715 -12.139 -4.411 1.00 0.00 C ATOM 272 O GLU A 41 -5.697 -11.751 -5.583 1.00 0.00 O ATOM 273 CB GLU A 41 -7.479 -13.891 -4.658 1.00 0.00 C ATOM 274 CG GLU A 41 -8.578 -12.980 -4.155 1.00 0.00 C ATOM 275 CD GLU A 41 -9.879 -13.195 -4.870 1.00 0.00 C ATOM 276 OE1 GLU A 41 -10.639 -14.092 -4.481 1.00 0.00 O ATOM 277 OE2 GLU A 41 -10.162 -12.465 -5.838 1.00 0.00 O ATOM 0 H GLU A 41 -6.931 -13.579 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.360 -14.251 -4.524 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.428 -13.816 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.740 -14.922 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.723 -13.147 -3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.268 -11.942 -4.276 1.00 0.00 H new ATOM 284 N LEU A 42 -5.442 -11.344 -3.402 1.00 0.00 N ATOM 285 CA LEU A 42 -5.080 -9.964 -3.628 1.00 0.00 C ATOM 286 C LEU A 42 -3.593 -9.823 -3.789 1.00 0.00 C ATOM 287 O LEU A 42 -2.808 -10.274 -2.945 1.00 0.00 O ATOM 288 CB LEU A 42 -5.638 -9.032 -2.539 1.00 0.00 C ATOM 289 CG LEU A 42 -7.154 -8.778 -2.589 1.00 0.00 C ATOM 290 CD1 LEU A 42 -7.606 -7.930 -1.414 1.00 0.00 C ATOM 291 CD2 LEU A 42 -7.539 -8.101 -3.896 1.00 0.00 C ATOM 0 H LEU A 42 -5.463 -11.627 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.544 -9.649 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.391 -9.454 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.125 -8.073 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.655 -9.744 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.682 -7.767 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.370 -8.444 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.091 -6.970 -1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.615 -7.929 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.018 -7.147 -3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.260 -8.741 -4.733 1.00 0.00 H new ATOM 303 N THR A 43 -3.217 -9.252 -4.887 1.00 0.00 N ATOM 304 CA THR A 43 -1.848 -9.047 -5.222 1.00 0.00 C ATOM 305 C THR A 43 -1.498 -7.570 -5.125 1.00 0.00 C ATOM 306 O THR A 43 -2.386 -6.722 -4.890 1.00 0.00 O ATOM 307 CB THR A 43 -1.520 -9.569 -6.649 1.00 0.00 C ATOM 308 OG1 THR A 43 -2.348 -8.916 -7.630 1.00 0.00 O ATOM 309 CG2 THR A 43 -1.706 -11.081 -6.743 1.00 0.00 C ATOM 0 H THR A 43 -3.870 -8.908 -5.591 1.00 0.00 H new ATOM 0 HA THR A 43 -1.249 -9.613 -4.509 1.00 0.00 H new ATOM 0 HB THR A 43 -0.474 -9.337 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.285 -9.162 -7.483 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.469 -11.415 -7.753 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.042 -11.574 -6.033 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.740 -11.336 -6.510 1.00 0.00 H new ATOM 317 N GLU A 44 -0.221 -7.270 -5.299 1.00 0.00 N ATOM 318 CA GLU A 44 0.299 -5.902 -5.294 1.00 0.00 C ATOM 319 C GLU A 44 -0.452 -5.050 -6.317 1.00 0.00 C ATOM 320 O GLU A 44 -0.829 -3.913 -6.037 1.00 0.00 O ATOM 321 CB GLU A 44 1.782 -5.933 -5.677 1.00 0.00 C ATOM 322 CG GLU A 44 2.642 -6.759 -4.747 1.00 0.00 C ATOM 323 CD GLU A 44 4.044 -6.957 -5.260 1.00 0.00 C ATOM 324 OE1 GLU A 44 4.259 -7.832 -6.125 1.00 0.00 O ATOM 325 OE2 GLU A 44 4.959 -6.245 -4.825 1.00 0.00 O ATOM 0 H GLU A 44 0.498 -7.977 -5.450 1.00 0.00 H new ATOM 0 HA GLU A 44 0.168 -5.474 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.877 -6.327 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.163 -4.912 -5.696 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.683 -6.273 -3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.175 -7.733 -4.598 1.00 0.00 H new ATOM 332 N GLY A 45 -0.709 -5.643 -7.475 1.00 0.00 N ATOM 333 CA GLY A 45 -1.391 -4.964 -8.551 1.00 0.00 C ATOM 334 C GLY A 45 -2.814 -4.583 -8.203 1.00 0.00 C ATOM 335 O GLY A 45 -3.265 -3.482 -8.551 1.00 0.00 O ATOM 0 H GLY A 45 -0.448 -6.606 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.835 -4.065 -8.816 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.398 -5.606 -9.432 1.00 0.00 H new ATOM 339 N ASP A 46 -3.511 -5.469 -7.484 1.00 0.00 N ATOM 340 CA ASP A 46 -4.901 -5.216 -7.099 1.00 0.00 C ATOM 341 C ASP A 46 -4.938 -4.058 -6.153 1.00 0.00 C ATOM 342 O ASP A 46 -5.725 -3.121 -6.324 1.00 0.00 O ATOM 343 CB ASP A 46 -5.555 -6.429 -6.413 1.00 0.00 C ATOM 344 CG ASP A 46 -5.596 -7.677 -7.254 1.00 0.00 C ATOM 345 OD1 ASP A 46 -6.391 -7.751 -8.225 1.00 0.00 O ATOM 346 OD2 ASP A 46 -4.825 -8.614 -6.966 1.00 0.00 O ATOM 0 H ASP A 46 -3.138 -6.361 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.460 -5.007 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.013 -6.645 -5.492 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.574 -6.164 -6.129 1.00 0.00 H new ATOM 351 N ILE A 47 -4.046 -4.110 -5.166 1.00 0.00 N ATOM 352 CA ILE A 47 -3.926 -3.064 -4.169 1.00 0.00 C ATOM 353 C ILE A 47 -3.625 -1.726 -4.829 1.00 0.00 C ATOM 354 O ILE A 47 -4.280 -0.733 -4.539 1.00 0.00 O ATOM 355 CB ILE A 47 -2.838 -3.391 -3.105 1.00 0.00 C ATOM 356 CG1 ILE A 47 -3.253 -4.596 -2.249 1.00 0.00 C ATOM 357 CG2 ILE A 47 -2.543 -2.186 -2.227 1.00 0.00 C ATOM 358 CD1 ILE A 47 -2.275 -4.916 -1.135 1.00 0.00 C ATOM 0 H ILE A 47 -3.389 -4.880 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.885 -3.002 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.923 -3.648 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.234 -4.402 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.356 -5.470 -2.892 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.779 -2.448 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.185 -1.363 -2.846 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.453 -1.881 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.633 -5.778 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.298 -5.142 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.190 -4.058 -0.468 1.00 0.00 H new ATOM 370 N LEU A 48 -2.697 -1.727 -5.773 1.00 0.00 N ATOM 371 CA LEU A 48 -2.314 -0.514 -6.465 1.00 0.00 C ATOM 372 C LEU A 48 -3.487 0.112 -7.166 1.00 0.00 C ATOM 373 O LEU A 48 -3.699 1.295 -7.031 1.00 0.00 O ATOM 374 CB LEU A 48 -1.218 -0.792 -7.477 1.00 0.00 C ATOM 375 CG LEU A 48 0.186 -0.973 -6.939 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.104 -1.455 -8.046 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.704 0.340 -6.371 1.00 0.00 C ATOM 0 H LEU A 48 -2.195 -2.561 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.943 0.181 -5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.488 -1.692 -8.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.203 0.029 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 48 0.165 -1.717 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.112 -1.583 -7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.741 -2.408 -8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.119 -0.721 -8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.714 0.197 -5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.718 1.096 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.052 0.669 -5.562 1.00 0.00 H new ATOM 389 N THR A 49 -4.265 -0.681 -7.865 1.00 0.00 N ATOM 390 CA THR A 49 -5.412 -0.173 -8.577 1.00 0.00 C ATOM 391 C THR A 49 -6.450 0.469 -7.634 1.00 0.00 C ATOM 392 O THR A 49 -6.927 1.578 -7.889 1.00 0.00 O ATOM 393 CB THR A 49 -6.058 -1.285 -9.405 1.00 0.00 C ATOM 394 OG1 THR A 49 -5.100 -1.767 -10.372 1.00 0.00 O ATOM 395 CG2 THR A 49 -7.272 -0.760 -10.125 1.00 0.00 C ATOM 0 H THR A 49 -4.122 -1.687 -7.955 1.00 0.00 H new ATOM 0 HA THR A 49 -5.057 0.612 -9.244 1.00 0.00 H new ATOM 0 HB THR A 49 -6.363 -2.095 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.756 -1.013 -10.895 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.722 -1.561 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.995 -0.391 -9.398 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.978 0.053 -10.789 1.00 0.00 H new ATOM 403 N VAL A 50 -6.743 -0.206 -6.545 1.00 0.00 N ATOM 404 CA VAL A 50 -7.715 0.271 -5.575 1.00 0.00 C ATOM 405 C VAL A 50 -7.222 1.561 -4.901 1.00 0.00 C ATOM 406 O VAL A 50 -7.938 2.565 -4.834 1.00 0.00 O ATOM 407 CB VAL A 50 -7.988 -0.820 -4.508 1.00 0.00 C ATOM 408 CG1 VAL A 50 -8.993 -0.346 -3.486 1.00 0.00 C ATOM 409 CG2 VAL A 50 -8.496 -2.081 -5.181 1.00 0.00 C ATOM 0 H VAL A 50 -6.317 -1.101 -6.303 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.644 0.491 -6.100 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.052 -1.032 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.164 -1.133 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.610 0.542 -2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.932 -0.105 -3.984 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.686 -2.845 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.420 -1.861 -5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.747 -2.445 -5.885 1.00 0.00 H new ATOM 419 N PHE A 51 -5.985 1.529 -4.465 1.00 0.00 N ATOM 420 CA PHE A 51 -5.342 2.622 -3.792 1.00 0.00 C ATOM 421 C PHE A 51 -5.132 3.812 -4.716 1.00 0.00 C ATOM 422 O PHE A 51 -5.087 4.959 -4.278 1.00 0.00 O ATOM 423 CB PHE A 51 -4.054 2.126 -3.144 1.00 0.00 C ATOM 424 CG PHE A 51 -4.309 1.288 -1.883 1.00 0.00 C ATOM 425 CD1 PHE A 51 -5.241 0.257 -1.869 1.00 0.00 C ATOM 426 CD2 PHE A 51 -3.630 1.553 -0.720 1.00 0.00 C ATOM 427 CE1 PHE A 51 -5.475 -0.478 -0.733 1.00 0.00 C ATOM 428 CE2 PHE A 51 -3.858 0.824 0.415 1.00 0.00 C ATOM 429 CZ PHE A 51 -4.776 -0.191 0.419 1.00 0.00 C ATOM 0 H PHE A 51 -5.383 0.713 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.993 2.992 -3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -3.496 1.529 -3.865 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.429 2.981 -2.887 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.792 0.029 -2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.903 2.351 -0.701 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.203 -1.276 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.308 1.052 1.316 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.951 -0.763 1.318 1.00 0.00 H new ATOM 439 N SER A 52 -5.104 3.542 -6.006 1.00 0.00 N ATOM 440 CA SER A 52 -4.980 4.580 -6.996 1.00 0.00 C ATOM 441 C SER A 52 -6.231 5.447 -7.096 1.00 0.00 C ATOM 442 O SER A 52 -6.160 6.553 -7.591 1.00 0.00 O ATOM 443 CB SER A 52 -4.618 4.016 -8.356 1.00 0.00 C ATOM 444 OG SER A 52 -3.316 3.470 -8.365 1.00 0.00 O ATOM 0 H SER A 52 -5.167 2.599 -6.391 1.00 0.00 H new ATOM 0 HA SER A 52 -4.165 5.221 -6.660 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.338 3.246 -8.634 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.688 4.803 -9.107 1.00 0.00 H new ATOM 0 HG SER A 52 -3.321 2.604 -7.906 1.00 0.00 H new ATOM 450 N GLU A 53 -7.374 4.974 -6.629 1.00 0.00 N ATOM 451 CA GLU A 53 -8.543 5.832 -6.677 1.00 0.00 C ATOM 452 C GLU A 53 -8.433 6.887 -5.558 1.00 0.00 C ATOM 453 O GLU A 53 -8.970 8.008 -5.658 1.00 0.00 O ATOM 454 CB GLU A 53 -9.855 5.059 -6.514 1.00 0.00 C ATOM 455 CG GLU A 53 -11.041 5.878 -7.001 1.00 0.00 C ATOM 456 CD GLU A 53 -12.373 5.473 -6.432 1.00 0.00 C ATOM 457 OE1 GLU A 53 -12.943 4.441 -6.843 1.00 0.00 O ATOM 458 OE2 GLU A 53 -12.922 6.253 -5.610 1.00 0.00 O ATOM 0 H GLU A 53 -7.516 4.046 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.566 6.300 -7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.801 4.125 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.997 4.796 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.863 6.926 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.091 5.806 -8.088 1.00 0.00 H new ATOM 465 N TYR A 54 -7.694 6.540 -4.518 1.00 0.00 N ATOM 466 CA TYR A 54 -7.546 7.390 -3.358 1.00 0.00 C ATOM 467 C TYR A 54 -6.395 8.365 -3.523 1.00 0.00 C ATOM 468 O TYR A 54 -6.374 9.433 -2.897 1.00 0.00 O ATOM 469 CB TYR A 54 -7.385 6.546 -2.107 1.00 0.00 C ATOM 470 CG TYR A 54 -8.554 5.609 -1.899 1.00 0.00 C ATOM 471 CD1 TYR A 54 -9.829 6.100 -1.665 1.00 0.00 C ATOM 472 CD2 TYR A 54 -8.383 4.240 -1.948 1.00 0.00 C ATOM 473 CE1 TYR A 54 -10.896 5.249 -1.487 1.00 0.00 C ATOM 474 CE2 TYR A 54 -9.440 3.378 -1.769 1.00 0.00 C ATOM 475 CZ TYR A 54 -10.700 3.889 -1.538 1.00 0.00 C ATOM 476 OH TYR A 54 -11.771 3.036 -1.346 1.00 0.00 O ATOM 0 H TYR A 54 -7.181 5.660 -4.458 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.452 7.986 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.464 5.967 -2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.285 7.199 -1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.988 7.167 -1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.398 3.837 -2.131 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.884 5.648 -1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -9.284 2.310 -1.809 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.466 2.107 -1.414 1.00 0.00 H new ATOM 486 N GLY A 55 -5.469 8.031 -4.378 1.00 0.00 N ATOM 487 CA GLY A 55 -4.376 8.906 -4.643 1.00 0.00 C ATOM 488 C GLY A 55 -3.392 8.286 -5.567 1.00 0.00 C ATOM 489 O GLY A 55 -3.735 7.372 -6.307 1.00 0.00 O ATOM 0 H GLY A 55 -5.455 7.156 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.749 9.834 -5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.883 9.167 -3.707 1.00 0.00 H new ATOM 493 N VAL A 56 -2.178 8.749 -5.520 1.00 0.00 N ATOM 494 CA VAL A 56 -1.144 8.247 -6.378 1.00 0.00 C ATOM 495 C VAL A 56 -0.167 7.369 -5.580 1.00 0.00 C ATOM 496 O VAL A 56 0.660 7.878 -4.806 1.00 0.00 O ATOM 497 CB VAL A 56 -0.383 9.406 -7.073 1.00 0.00 C ATOM 498 CG1 VAL A 56 0.781 8.888 -7.905 1.00 0.00 C ATOM 499 CG2 VAL A 56 -1.328 10.236 -7.936 1.00 0.00 C ATOM 0 H VAL A 56 -1.875 9.487 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.613 7.639 -7.152 1.00 0.00 H new ATOM 0 HB VAL A 56 0.024 10.046 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.292 9.727 -8.378 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.480 8.354 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.406 8.212 -8.673 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.771 11.043 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.774 9.601 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.115 10.658 -7.311 1.00 0.00 H new ATOM 509 N PRO A 57 -0.284 6.038 -5.708 1.00 0.00 N ATOM 510 CA PRO A 57 0.615 5.110 -5.052 1.00 0.00 C ATOM 511 C PRO A 57 1.940 5.038 -5.807 1.00 0.00 C ATOM 512 O PRO A 57 1.962 4.990 -7.058 1.00 0.00 O ATOM 513 CB PRO A 57 -0.135 3.780 -5.150 1.00 0.00 C ATOM 514 CG PRO A 57 -0.921 3.892 -6.395 1.00 0.00 C ATOM 515 CD PRO A 57 -1.313 5.337 -6.502 1.00 0.00 C ATOM 0 HA PRO A 57 0.861 5.390 -4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.555 2.937 -5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.780 3.623 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.333 3.581 -7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.801 3.250 -6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.318 5.675 -7.538 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.313 5.511 -6.105 1.00 0.00 H new ATOM 523 N VAL A 58 3.029 5.039 -5.082 1.00 0.00 N ATOM 524 CA VAL A 58 4.328 5.021 -5.719 1.00 0.00 C ATOM 525 C VAL A 58 5.088 3.730 -5.444 1.00 0.00 C ATOM 526 O VAL A 58 6.014 3.396 -6.168 1.00 0.00 O ATOM 527 CB VAL A 58 5.201 6.250 -5.329 1.00 0.00 C ATOM 528 CG1 VAL A 58 4.538 7.542 -5.748 1.00 0.00 C ATOM 529 CG2 VAL A 58 5.478 6.280 -3.848 1.00 0.00 C ATOM 0 H VAL A 58 3.047 5.052 -4.062 1.00 0.00 H new ATOM 0 HA VAL A 58 4.129 5.077 -6.789 1.00 0.00 H new ATOM 0 HB VAL A 58 6.149 6.151 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.169 8.384 -5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.396 7.544 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.570 7.631 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.090 7.150 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.536 6.338 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.009 5.373 -3.559 1.00 0.00 H new ATOM 539 N ASP A 59 4.686 2.995 -4.414 1.00 0.00 N ATOM 540 CA ASP A 59 5.378 1.749 -4.050 1.00 0.00 C ATOM 541 C ASP A 59 4.454 0.898 -3.201 1.00 0.00 C ATOM 542 O ASP A 59 3.726 1.442 -2.354 1.00 0.00 O ATOM 543 CB ASP A 59 6.654 2.071 -3.254 1.00 0.00 C ATOM 544 CG ASP A 59 7.559 0.885 -3.039 1.00 0.00 C ATOM 545 OD1 ASP A 59 8.321 0.536 -3.970 1.00 0.00 O ATOM 546 OD2 ASP A 59 7.585 0.319 -1.932 1.00 0.00 O ATOM 0 H ASP A 59 3.893 3.231 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 59 5.651 1.208 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.210 2.849 -3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.371 2.480 -2.284 1.00 0.00 H new ATOM 551 N VAL A 60 4.445 -0.399 -3.439 1.00 0.00 N ATOM 552 CA VAL A 60 3.606 -1.318 -2.678 1.00 0.00 C ATOM 553 C VAL A 60 4.373 -2.624 -2.397 1.00 0.00 C ATOM 554 O VAL A 60 5.125 -3.112 -3.261 1.00 0.00 O ATOM 555 CB VAL A 60 2.266 -1.636 -3.435 1.00 0.00 C ATOM 556 CG1 VAL A 60 2.511 -2.396 -4.723 1.00 0.00 C ATOM 557 CG2 VAL A 60 1.271 -2.379 -2.557 1.00 0.00 C ATOM 0 H VAL A 60 5.012 -0.848 -4.158 1.00 0.00 H new ATOM 0 HA VAL A 60 3.353 -0.835 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 60 1.825 -0.672 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.559 -2.595 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.142 -1.800 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.009 -3.340 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.361 -2.576 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.707 -3.323 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.030 -1.771 -1.685 1.00 0.00 H new ATOM 567 N ILE A 61 4.249 -3.127 -1.181 1.00 0.00 N ATOM 568 CA ILE A 61 4.819 -4.404 -0.781 1.00 0.00 C ATOM 569 C ILE A 61 3.713 -5.319 -0.297 1.00 0.00 C ATOM 570 O ILE A 61 2.949 -4.949 0.598 1.00 0.00 O ATOM 571 CB ILE A 61 5.859 -4.240 0.356 1.00 0.00 C ATOM 572 CG1 ILE A 61 6.994 -3.355 -0.113 1.00 0.00 C ATOM 573 CG2 ILE A 61 6.398 -5.605 0.813 1.00 0.00 C ATOM 574 CD1 ILE A 61 7.959 -2.980 0.975 1.00 0.00 C ATOM 0 H ILE A 61 3.743 -2.654 -0.433 1.00 0.00 H new ATOM 0 HA ILE A 61 5.322 -4.828 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 61 5.368 -3.772 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.537 -3.867 -0.907 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.578 -2.445 -0.546 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.126 -5.460 1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.574 -6.217 1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.877 -6.107 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.744 -2.346 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.430 -2.439 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.404 -3.883 1.393 1.00 0.00 H new ATOM 586 N LEU A 62 3.614 -6.476 -0.877 1.00 0.00 N ATOM 587 CA LEU A 62 2.670 -7.452 -0.436 1.00 0.00 C ATOM 588 C LEU A 62 3.444 -8.428 0.408 1.00 0.00 C ATOM 589 O LEU A 62 4.418 -9.019 -0.063 1.00 0.00 O ATOM 590 CB LEU A 62 2.082 -8.220 -1.629 1.00 0.00 C ATOM 591 CG LEU A 62 0.638 -8.756 -1.501 1.00 0.00 C ATOM 592 CD1 LEU A 62 0.388 -9.525 -0.219 1.00 0.00 C ATOM 593 CD2 LEU A 62 -0.336 -7.634 -1.645 1.00 0.00 C ATOM 0 H LEU A 62 4.186 -6.769 -1.669 1.00 0.00 H new ATOM 0 HA LEU A 62 1.854 -6.973 0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.120 -7.566 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.736 -9.067 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 62 0.496 -9.473 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.645 -9.871 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.059 -10.383 -0.173 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.571 -8.875 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.351 -8.020 -1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.157 -6.894 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.212 -7.167 -2.622 1.00 0.00 H new ATOM 605 N SER A 63 3.065 -8.577 1.626 1.00 0.00 N ATOM 606 CA SER A 63 3.675 -9.551 2.451 1.00 0.00 C ATOM 607 C SER A 63 3.050 -10.884 2.099 1.00 0.00 C ATOM 608 O SER A 63 1.838 -11.070 2.236 1.00 0.00 O ATOM 609 CB SER A 63 3.429 -9.172 3.877 1.00 0.00 C ATOM 610 OG SER A 63 3.883 -7.844 4.081 1.00 0.00 O ATOM 0 H SER A 63 2.329 -8.031 2.075 1.00 0.00 H new ATOM 0 HA SER A 63 4.753 -9.616 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.367 -9.248 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.952 -9.857 4.545 1.00 0.00 H new ATOM 0 HG SER A 63 3.715 -7.580 5.010 1.00 0.00 H new ATOM 616 N ARG A 64 3.848 -11.787 1.611 1.00 0.00 N ATOM 617 CA ARG A 64 3.350 -13.031 1.103 1.00 0.00 C ATOM 618 C ARG A 64 3.901 -14.187 1.899 1.00 0.00 C ATOM 619 O ARG A 64 5.088 -14.217 2.216 1.00 0.00 O ATOM 620 CB ARG A 64 3.707 -13.161 -0.385 1.00 0.00 C ATOM 621 CG ARG A 64 3.259 -11.959 -1.221 1.00 0.00 C ATOM 622 CD ARG A 64 3.633 -12.080 -2.686 1.00 0.00 C ATOM 623 NE ARG A 64 2.913 -13.165 -3.362 1.00 0.00 N ATOM 624 CZ ARG A 64 2.871 -13.349 -4.688 1.00 0.00 C ATOM 625 NH1 ARG A 64 3.455 -12.478 -5.510 1.00 0.00 N ATOM 626 NH2 ARG A 64 2.241 -14.401 -5.188 1.00 0.00 N ATOM 0 H ARG A 64 4.861 -11.682 1.554 1.00 0.00 H new ATOM 0 HA ARG A 64 2.265 -13.050 1.202 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.786 -13.282 -0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.247 -14.065 -0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.178 -11.848 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.706 -11.053 -0.812 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.421 -11.138 -3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.706 -12.252 -2.771 1.00 0.00 H new ATOM 0 HE ARG A 64 2.406 -13.830 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.939 -11.664 -5.131 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.419 -12.625 -6.519 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.789 -15.069 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.208 -14.543 -6.197 1.00 0.00 H new ATOM 728 N GLN A 72 0.063 -12.904 3.127 1.00 0.00 N ATOM 729 CA GLN A 72 0.095 -13.024 4.589 1.00 0.00 C ATOM 730 C GLN A 72 -1.114 -12.386 5.228 1.00 0.00 C ATOM 731 O GLN A 72 -1.272 -12.412 6.457 1.00 0.00 O ATOM 732 CB GLN A 72 1.326 -12.342 5.147 1.00 0.00 C ATOM 733 CG GLN A 72 2.615 -13.086 4.970 1.00 0.00 C ATOM 734 CD GLN A 72 2.725 -14.287 5.878 1.00 0.00 C ATOM 735 OE1 GLN A 72 1.735 -14.936 6.236 1.00 0.00 O ATOM 736 NE2 GLN A 72 3.914 -14.582 6.260 1.00 0.00 N ATOM 0 HA GLN A 72 0.106 -14.090 4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.424 -11.365 4.674 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.171 -12.167 6.212 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.703 -13.411 3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.449 -12.411 5.164 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.705 -14.022 5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.068 -15.376 6.881 1.00 0.00 H new ATOM 745 N GLY A 73 -1.942 -11.790 4.419 1.00 0.00 N ATOM 746 CA GLY A 73 -3.095 -11.118 4.936 1.00 0.00 C ATOM 747 C GLY A 73 -2.807 -9.681 5.312 1.00 0.00 C ATOM 748 O GLY A 73 -3.650 -9.021 5.889 1.00 0.00 O ATOM 0 H GLY A 73 -1.840 -11.756 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.891 -11.143 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.461 -11.653 5.812 1.00 0.00 H new ATOM 752 N PHE A 74 -1.631 -9.189 4.977 1.00 0.00 N ATOM 753 CA PHE A 74 -1.287 -7.812 5.255 1.00 0.00 C ATOM 754 C PHE A 74 -0.328 -7.313 4.187 1.00 0.00 C ATOM 755 O PHE A 74 0.344 -8.128 3.535 1.00 0.00 O ATOM 756 CB PHE A 74 -0.697 -7.636 6.682 1.00 0.00 C ATOM 757 CG PHE A 74 0.700 -8.162 6.897 1.00 0.00 C ATOM 758 CD1 PHE A 74 0.936 -9.504 7.163 1.00 0.00 C ATOM 759 CD2 PHE A 74 1.772 -7.295 6.856 1.00 0.00 C ATOM 760 CE1 PHE A 74 2.228 -9.969 7.379 1.00 0.00 C ATOM 761 CE2 PHE A 74 3.058 -7.748 7.068 1.00 0.00 C ATOM 762 CZ PHE A 74 3.287 -9.085 7.332 1.00 0.00 C ATOM 0 H PHE A 74 -0.898 -9.724 4.511 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.196 -7.211 5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -0.704 -6.574 6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.362 -8.131 7.390 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.106 -10.194 7.203 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.603 -6.247 6.655 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.402 -11.015 7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.887 -7.057 7.028 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.294 -9.438 7.501 1.00 0.00 H new ATOM 772 N ALA A 75 -0.296 -6.014 3.976 1.00 0.00 N ATOM 773 CA ALA A 75 0.566 -5.413 2.987 1.00 0.00 C ATOM 774 C ALA A 75 0.894 -3.957 3.354 1.00 0.00 C ATOM 775 O ALA A 75 0.379 -3.417 4.348 1.00 0.00 O ATOM 776 CB ALA A 75 -0.100 -5.481 1.634 1.00 0.00 C ATOM 0 H ALA A 75 -0.870 -5.345 4.489 1.00 0.00 H new ATOM 0 HA ALA A 75 1.505 -5.966 2.955 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.550 -5.027 0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.284 -6.523 1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.047 -4.942 1.667 1.00 0.00 H new ATOM 782 N TYR A 76 1.739 -3.346 2.555 1.00 0.00 N ATOM 783 CA TYR A 76 2.184 -1.970 2.726 1.00 0.00 C ATOM 784 C TYR A 76 2.097 -1.225 1.397 1.00 0.00 C ATOM 785 O TYR A 76 2.360 -1.807 0.353 1.00 0.00 O ATOM 786 CB TYR A 76 3.646 -1.974 3.249 1.00 0.00 C ATOM 787 CG TYR A 76 4.501 -0.777 2.839 1.00 0.00 C ATOM 788 CD1 TYR A 76 4.532 0.398 3.573 1.00 0.00 C ATOM 789 CD2 TYR A 76 5.292 -0.850 1.702 1.00 0.00 C ATOM 790 CE1 TYR A 76 5.333 1.456 3.171 1.00 0.00 C ATOM 791 CE2 TYR A 76 6.081 0.189 1.301 1.00 0.00 C ATOM 792 CZ TYR A 76 6.105 1.335 2.029 1.00 0.00 C ATOM 793 OH TYR A 76 6.904 2.369 1.616 1.00 0.00 O ATOM 0 H TYR A 76 2.152 -3.802 1.741 1.00 0.00 H new ATOM 0 HA TYR A 76 1.543 -1.462 3.447 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.622 -2.024 4.338 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.135 -2.883 2.899 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.928 0.490 4.464 1.00 0.00 H new ATOM 0 HD2 TYR A 76 5.283 -1.757 1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.354 2.370 3.746 1.00 0.00 H new ATOM 0 HE2 TYR A 76 6.683 0.100 0.409 1.00 0.00 H new ATOM 0 HH TYR A 76 6.790 3.132 2.220 1.00 0.00 H new ATOM 803 N LEU A 77 1.745 0.046 1.444 1.00 0.00 N ATOM 804 CA LEU A 77 1.697 0.887 0.261 1.00 0.00 C ATOM 805 C LEU A 77 1.993 2.331 0.661 1.00 0.00 C ATOM 806 O LEU A 77 1.620 2.757 1.750 1.00 0.00 O ATOM 807 CB LEU A 77 0.344 0.741 -0.509 1.00 0.00 C ATOM 808 CG LEU A 77 0.243 1.474 -1.879 1.00 0.00 C ATOM 809 CD1 LEU A 77 -0.781 0.804 -2.767 1.00 0.00 C ATOM 810 CD2 LEU A 77 -0.177 2.910 -1.693 1.00 0.00 C ATOM 0 H LEU A 77 1.484 0.526 2.305 1.00 0.00 H new ATOM 0 HA LEU A 77 2.464 0.559 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.159 -0.320 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.456 1.108 0.134 1.00 0.00 H new ATOM 0 HG LEU A 77 1.230 1.431 -2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.837 1.331 -3.720 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.489 -0.232 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.756 0.829 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.240 3.399 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.151 2.944 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.556 3.426 -1.074 1.00 0.00 H new ATOM 822 N LYS A 78 2.730 3.041 -0.172 1.00 0.00 N ATOM 823 CA LYS A 78 3.048 4.433 0.079 1.00 0.00 C ATOM 824 C LYS A 78 2.586 5.291 -1.090 1.00 0.00 C ATOM 825 O LYS A 78 2.647 4.869 -2.271 1.00 0.00 O ATOM 826 CB LYS A 78 4.549 4.666 0.330 1.00 0.00 C ATOM 827 CG LYS A 78 5.424 4.310 -0.840 1.00 0.00 C ATOM 828 CD LYS A 78 6.878 4.757 -0.670 1.00 0.00 C ATOM 829 CE LYS A 78 7.031 6.280 -0.643 1.00 0.00 C ATOM 830 NZ LYS A 78 8.456 6.684 -0.633 1.00 0.00 N ATOM 0 H LYS A 78 3.123 2.671 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 78 2.520 4.719 0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.707 5.714 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.858 4.079 1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.399 3.230 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.015 4.765 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.276 4.340 0.255 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.476 4.351 -1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.536 6.712 -1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.532 6.681 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 8.523 7.722 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 8.922 6.292 0.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.925 6.322 -1.488 1.00 0.00 H new ATOM 844 N TYR A 79 2.129 6.458 -0.773 1.00 0.00 N ATOM 845 CA TYR A 79 1.653 7.412 -1.752 1.00 0.00 C ATOM 846 C TYR A 79 2.644 8.522 -1.902 1.00 0.00 C ATOM 847 O TYR A 79 3.552 8.659 -1.080 1.00 0.00 O ATOM 848 CB TYR A 79 0.329 8.013 -1.327 1.00 0.00 C ATOM 849 CG TYR A 79 -0.815 7.060 -1.306 1.00 0.00 C ATOM 850 CD1 TYR A 79 -0.989 6.182 -0.260 1.00 0.00 C ATOM 851 CD2 TYR A 79 -1.736 7.051 -2.332 1.00 0.00 C ATOM 852 CE1 TYR A 79 -2.044 5.322 -0.235 1.00 0.00 C ATOM 853 CE2 TYR A 79 -2.800 6.202 -2.314 1.00 0.00 C ATOM 854 CZ TYR A 79 -2.951 5.340 -1.267 1.00 0.00 C ATOM 855 OH TYR A 79 -4.006 4.504 -1.247 1.00 0.00 O ATOM 0 H TYR A 79 2.070 6.793 0.189 1.00 0.00 H new ATOM 0 HA TYR A 79 1.524 6.883 -2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.444 8.441 -0.331 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.086 8.834 -2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.278 6.175 0.553 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.611 7.729 -3.164 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.167 4.633 0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.518 6.211 -3.121 1.00 0.00 H new ATOM 0 HH TYR A 79 -3.798 3.728 -0.686 1.00 0.00 H new ATOM 865 N GLU A 80 2.497 9.297 -2.954 1.00 0.00 N ATOM 866 CA GLU A 80 3.343 10.452 -3.137 1.00 0.00 C ATOM 867 C GLU A 80 2.898 11.588 -2.214 1.00 0.00 C ATOM 868 O GLU A 80 3.696 12.474 -1.872 1.00 0.00 O ATOM 869 CB GLU A 80 3.387 10.917 -4.588 1.00 0.00 C ATOM 870 CG GLU A 80 2.050 11.221 -5.148 1.00 0.00 C ATOM 871 CD GLU A 80 2.111 12.027 -6.418 1.00 0.00 C ATOM 872 OE1 GLU A 80 2.682 11.559 -7.424 1.00 0.00 O ATOM 873 OE2 GLU A 80 1.578 13.164 -6.437 1.00 0.00 O ATOM 0 H GLU A 80 1.805 9.149 -3.689 1.00 0.00 H new ATOM 0 HA GLU A 80 4.358 10.156 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.013 11.806 -4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.860 10.145 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.523 10.287 -5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.467 11.767 -4.406 1.00 0.00 H new ATOM 880 N ASP A 81 1.633 11.576 -1.801 1.00 0.00 N ATOM 881 CA ASP A 81 1.173 12.597 -0.887 1.00 0.00 C ATOM 882 C ASP A 81 0.371 12.010 0.260 1.00 0.00 C ATOM 883 O ASP A 81 -0.373 11.040 0.094 1.00 0.00 O ATOM 884 CB ASP A 81 0.374 13.699 -1.574 1.00 0.00 C ATOM 885 CG ASP A 81 0.293 14.900 -0.680 1.00 0.00 C ATOM 886 OD1 ASP A 81 1.312 15.611 -0.554 1.00 0.00 O ATOM 887 OD2 ASP A 81 -0.752 15.124 -0.038 1.00 0.00 O ATOM 0 H ASP A 81 0.932 10.889 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 81 2.077 13.053 -0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 81 0.846 13.969 -2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -0.628 13.341 -1.810 1.00 0.00 H new ATOM 892 N GLN A 82 0.524 12.618 1.409 1.00 0.00 N ATOM 893 CA GLN A 82 -0.105 12.199 2.645 1.00 0.00 C ATOM 894 C GLN A 82 -1.620 12.415 2.655 1.00 0.00 C ATOM 895 O GLN A 82 -2.323 11.817 3.450 1.00 0.00 O ATOM 896 CB GLN A 82 0.544 12.868 3.855 1.00 0.00 C ATOM 897 CG GLN A 82 1.964 12.416 4.179 1.00 0.00 C ATOM 898 CD GLN A 82 2.999 12.786 3.137 1.00 0.00 C ATOM 899 OE1 GLN A 82 2.891 13.809 2.443 1.00 0.00 O ATOM 900 NE2 GLN A 82 3.995 11.972 3.012 1.00 0.00 N ATOM 0 H GLN A 82 1.109 13.447 1.518 1.00 0.00 H new ATOM 0 HA GLN A 82 0.057 11.123 2.712 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.554 13.945 3.689 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.083 12.686 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.259 12.849 5.135 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.966 11.333 4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.051 11.140 3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.725 12.161 2.325 1.00 0.00 H new ATOM 909 N ARG A 83 -2.120 13.293 1.804 1.00 0.00 N ATOM 910 CA ARG A 83 -3.566 13.492 1.709 1.00 0.00 C ATOM 911 C ARG A 83 -4.238 12.208 1.247 1.00 0.00 C ATOM 912 O ARG A 83 -5.336 11.871 1.651 1.00 0.00 O ATOM 913 CB ARG A 83 -3.909 14.643 0.787 1.00 0.00 C ATOM 914 CG ARG A 83 -3.515 16.001 1.323 1.00 0.00 C ATOM 915 CD ARG A 83 -3.733 17.086 0.295 1.00 0.00 C ATOM 916 NE ARG A 83 -2.912 16.867 -0.903 1.00 0.00 N ATOM 917 CZ ARG A 83 -3.210 17.315 -2.134 1.00 0.00 C ATOM 918 NH1 ARG A 83 -4.344 17.991 -2.353 1.00 0.00 N ATOM 919 NH2 ARG A 83 -2.389 17.076 -3.143 1.00 0.00 N ATOM 0 H ARG A 83 -1.563 13.873 1.177 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.940 13.749 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.416 14.486 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.983 14.636 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.097 16.223 2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.467 15.986 1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.786 17.117 0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.491 18.055 0.731 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.050 16.334 -0.792 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.988 18.169 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.564 18.328 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.529 16.551 -2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.616 17.417 -4.077 1.00 0.00 H new ATOM 933 N SER A 84 -3.561 11.517 0.400 1.00 0.00 N ATOM 934 CA SER A 84 -4.015 10.273 -0.130 1.00 0.00 C ATOM 935 C SER A 84 -4.036 9.146 0.918 1.00 0.00 C ATOM 936 O SER A 84 -4.931 8.304 0.895 1.00 0.00 O ATOM 937 CB SER A 84 -3.194 9.915 -1.323 1.00 0.00 C ATOM 938 OG SER A 84 -3.304 10.929 -2.304 1.00 0.00 O ATOM 0 H SER A 84 -2.650 11.806 0.044 1.00 0.00 H new ATOM 0 HA SER A 84 -5.054 10.395 -0.437 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.151 9.789 -1.033 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.528 8.962 -1.733 1.00 0.00 H new ATOM 0 HG SER A 84 -2.548 10.867 -2.924 1.00 0.00 H new ATOM 944 N THR A 85 -3.044 9.119 1.824 1.00 0.00 N ATOM 945 CA THR A 85 -2.968 8.046 2.819 1.00 0.00 C ATOM 946 C THR A 85 -4.193 8.074 3.728 1.00 0.00 C ATOM 947 O THR A 85 -4.836 7.051 3.946 1.00 0.00 O ATOM 948 CB THR A 85 -1.674 8.134 3.681 1.00 0.00 C ATOM 949 OG1 THR A 85 -1.604 9.389 4.338 1.00 0.00 O ATOM 950 CG2 THR A 85 -0.447 7.980 2.828 1.00 0.00 C ATOM 0 H THR A 85 -2.300 9.814 1.885 1.00 0.00 H new ATOM 0 HA THR A 85 -2.940 7.105 2.270 1.00 0.00 H new ATOM 0 HB THR A 85 -1.713 7.327 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.869 10.099 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.442 8.045 3.455 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.469 7.011 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.422 8.772 2.080 1.00 0.00 H new ATOM 958 N ILE A 86 -4.549 9.264 4.181 1.00 0.00 N ATOM 959 CA ILE A 86 -5.716 9.457 5.026 1.00 0.00 C ATOM 960 C ILE A 86 -6.999 9.139 4.273 1.00 0.00 C ATOM 961 O ILE A 86 -7.891 8.496 4.817 1.00 0.00 O ATOM 962 CB ILE A 86 -5.742 10.873 5.676 1.00 0.00 C ATOM 963 CG1 ILE A 86 -5.486 11.963 4.634 1.00 0.00 C ATOM 964 CG2 ILE A 86 -4.731 10.959 6.800 1.00 0.00 C ATOM 965 CD1 ILE A 86 -5.219 13.324 5.213 1.00 0.00 C ATOM 0 H ILE A 86 -4.038 10.122 3.974 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.644 8.748 5.851 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.736 11.036 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.635 11.669 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.350 12.026 3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.763 11.955 7.243 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.969 10.216 7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.732 10.769 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -5.048 14.036 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.078 13.643 5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.337 13.281 5.851 1.00 0.00 H new ATOM 977 N LEU A 87 -7.059 9.538 3.003 1.00 0.00 N ATOM 978 CA LEU A 87 -8.204 9.220 2.137 1.00 0.00 C ATOM 979 C LEU A 87 -8.384 7.721 1.989 1.00 0.00 C ATOM 980 O LEU A 87 -9.499 7.205 2.091 1.00 0.00 O ATOM 981 CB LEU A 87 -8.013 9.820 0.740 1.00 0.00 C ATOM 982 CG LEU A 87 -8.252 11.312 0.590 1.00 0.00 C ATOM 983 CD1 LEU A 87 -7.836 11.759 -0.805 1.00 0.00 C ATOM 984 CD2 LEU A 87 -9.727 11.610 0.807 1.00 0.00 C ATOM 0 H LEU A 87 -6.328 10.084 2.546 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.088 9.648 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.994 9.606 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.681 9.300 0.054 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.661 11.852 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.008 12.830 -0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.778 11.545 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.424 11.222 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.901 12.681 0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.320 11.070 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.019 11.293 1.808 1.00 0.00 H new ATOM 996 N ALA A 88 -7.290 7.025 1.791 1.00 0.00 N ATOM 997 CA ALA A 88 -7.340 5.605 1.605 1.00 0.00 C ATOM 998 C ALA A 88 -7.683 4.893 2.894 1.00 0.00 C ATOM 999 O ALA A 88 -8.561 4.067 2.907 1.00 0.00 O ATOM 1000 CB ALA A 88 -6.061 5.083 0.977 1.00 0.00 C ATOM 0 H ALA A 88 -6.353 7.426 1.755 1.00 0.00 H new ATOM 0 HA ALA A 88 -8.144 5.387 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.133 4.003 0.850 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.915 5.554 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.216 5.317 1.624 1.00 0.00 H new ATOM 1006 N VAL A 89 -7.032 5.265 3.991 1.00 0.00 N ATOM 1007 CA VAL A 89 -7.299 4.642 5.299 1.00 0.00 C ATOM 1008 C VAL A 89 -8.771 4.785 5.686 1.00 0.00 C ATOM 1009 O VAL A 89 -9.443 3.814 5.958 1.00 0.00 O ATOM 1010 CB VAL A 89 -6.405 5.259 6.426 1.00 0.00 C ATOM 1011 CG1 VAL A 89 -6.824 4.766 7.802 1.00 0.00 C ATOM 1012 CG2 VAL A 89 -4.949 4.920 6.200 1.00 0.00 C ATOM 0 H VAL A 89 -6.316 5.992 4.009 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.055 3.584 5.200 1.00 0.00 H new ATOM 0 HB VAL A 89 -6.538 6.340 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.182 5.214 8.560 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.860 5.049 7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.731 3.681 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.346 5.359 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.823 3.837 6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.628 5.319 5.238 1.00 0.00 H new ATOM 1022 N ASP A 90 -9.257 5.980 5.577 1.00 0.00 N ATOM 1023 CA ASP A 90 -10.604 6.357 6.001 1.00 0.00 C ATOM 1024 C ASP A 90 -11.676 5.649 5.177 1.00 0.00 C ATOM 1025 O ASP A 90 -12.737 5.275 5.686 1.00 0.00 O ATOM 1026 CB ASP A 90 -10.752 7.878 5.866 1.00 0.00 C ATOM 1027 CG ASP A 90 -12.101 8.409 6.255 1.00 0.00 C ATOM 1028 OD1 ASP A 90 -12.987 8.511 5.386 1.00 0.00 O ATOM 1029 OD2 ASP A 90 -12.292 8.786 7.422 1.00 0.00 O ATOM 0 H ASP A 90 -8.727 6.757 5.181 1.00 0.00 H new ATOM 0 HA ASP A 90 -10.743 6.052 7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.994 8.360 6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.549 8.160 4.833 1.00 0.00 H new ATOM 1034 N ASN A 91 -11.384 5.442 3.920 1.00 0.00 N ATOM 1035 CA ASN A 91 -12.348 4.849 2.999 1.00 0.00 C ATOM 1036 C ASN A 91 -12.213 3.340 2.878 1.00 0.00 C ATOM 1037 O ASN A 91 -13.195 2.644 2.618 1.00 0.00 O ATOM 1038 CB ASN A 91 -12.242 5.472 1.607 1.00 0.00 C ATOM 1039 CG ASN A 91 -12.834 6.875 1.467 1.00 0.00 C ATOM 1040 OD1 ASN A 91 -13.300 7.240 0.394 1.00 0.00 O ATOM 1041 ND2 ASN A 91 -12.826 7.669 2.509 1.00 0.00 N ATOM 0 H ASN A 91 -10.484 5.673 3.498 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.327 5.063 3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -11.190 5.511 1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -12.739 4.814 0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -13.212 8.610 2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -12.433 7.346 3.393 1.00 0.00 H new ATOM 1048 N LEU A 92 -11.021 2.836 3.081 1.00 0.00 N ATOM 1049 CA LEU A 92 -10.747 1.415 2.888 1.00 0.00 C ATOM 1050 C LEU A 92 -10.905 0.645 4.152 1.00 0.00 C ATOM 1051 O LEU A 92 -11.204 -0.542 4.128 1.00 0.00 O ATOM 1052 CB LEU A 92 -9.354 1.216 2.357 1.00 0.00 C ATOM 1053 CG LEU A 92 -9.152 1.374 0.881 1.00 0.00 C ATOM 1054 CD1 LEU A 92 -7.701 1.667 0.620 1.00 0.00 C ATOM 1055 CD2 LEU A 92 -9.538 0.084 0.183 1.00 0.00 C ATOM 0 H LEU A 92 -10.215 3.384 3.381 1.00 0.00 H new ATOM 0 HA LEU A 92 -11.474 1.043 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.696 1.921 2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -9.026 0.215 2.637 1.00 0.00 H new ATOM 0 HG LEU A 92 -9.769 2.190 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -7.541 1.784 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.418 2.587 1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.091 0.843 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -9.393 0.194 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -8.914 -0.730 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -10.585 -0.140 0.386 1.00 0.00 H new ATOM 1067 N ASN A 93 -10.644 1.280 5.252 1.00 0.00 N ATOM 1068 CA ASN A 93 -10.822 0.627 6.514 1.00 0.00 C ATOM 1069 C ASN A 93 -12.312 0.368 6.698 1.00 0.00 C ATOM 1070 O ASN A 93 -13.116 1.300 6.613 1.00 0.00 O ATOM 1071 CB ASN A 93 -10.297 1.535 7.601 1.00 0.00 C ATOM 1072 CG ASN A 93 -10.321 0.934 8.969 1.00 0.00 C ATOM 1073 OD1 ASN A 93 -10.204 -0.274 9.145 1.00 0.00 O ATOM 1074 ND2 ASN A 93 -10.416 1.766 9.938 1.00 0.00 N ATOM 0 H ASN A 93 -10.310 2.242 5.304 1.00 0.00 H new ATOM 0 HA ASN A 93 -10.282 -0.319 6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -9.272 1.818 7.359 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.887 2.452 7.609 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.396 1.431 10.901 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.512 2.763 9.746 1.00 0.00 H new ATOM 1081 N GLY A 94 -12.676 -0.868 6.932 1.00 0.00 N ATOM 1082 CA GLY A 94 -14.083 -1.210 7.067 1.00 0.00 C ATOM 1083 C GLY A 94 -14.747 -1.493 5.712 1.00 0.00 C ATOM 1084 O GLY A 94 -15.947 -1.802 5.646 1.00 0.00 O ATOM 0 H GLY A 94 -12.031 -1.652 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.182 -2.086 7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -14.607 -0.393 7.562 1.00 0.00 H new ATOM 1088 N PHE A 95 -13.978 -1.376 4.644 1.00 0.00 N ATOM 1089 CA PHE A 95 -14.457 -1.605 3.283 1.00 0.00 C ATOM 1090 C PHE A 95 -14.260 -3.084 2.975 1.00 0.00 C ATOM 1091 O PHE A 95 -13.200 -3.640 3.265 1.00 0.00 O ATOM 1092 CB PHE A 95 -13.626 -0.738 2.313 1.00 0.00 C ATOM 1093 CG PHE A 95 -14.107 -0.644 0.888 1.00 0.00 C ATOM 1094 CD1 PHE A 95 -13.923 -1.683 -0.003 1.00 0.00 C ATOM 1095 CD2 PHE A 95 -14.713 0.511 0.436 1.00 0.00 C ATOM 1096 CE1 PHE A 95 -14.339 -1.576 -1.311 1.00 0.00 C ATOM 1097 CE2 PHE A 95 -15.133 0.622 -0.870 1.00 0.00 C ATOM 1098 CZ PHE A 95 -14.948 -0.420 -1.744 1.00 0.00 C ATOM 0 H PHE A 95 -12.993 -1.117 4.693 1.00 0.00 H new ATOM 0 HA PHE A 95 -15.508 -1.338 3.176 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -13.577 0.272 2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -12.608 -1.126 2.301 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -13.446 -2.592 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -14.859 1.338 1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -14.188 -2.397 -1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -15.609 1.531 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 95 -15.279 -0.333 -2.768 1.00 0.00 H new ATOM 1108 N LYS A 96 -15.259 -3.724 2.422 1.00 0.00 N ATOM 1109 CA LYS A 96 -15.163 -5.132 2.139 1.00 0.00 C ATOM 1110 C LYS A 96 -14.750 -5.386 0.708 1.00 0.00 C ATOM 1111 O LYS A 96 -15.382 -4.890 -0.240 1.00 0.00 O ATOM 1112 CB LYS A 96 -16.463 -5.913 2.457 1.00 0.00 C ATOM 1113 CG LYS A 96 -16.862 -6.013 3.934 1.00 0.00 C ATOM 1114 CD LYS A 96 -17.350 -4.690 4.511 1.00 0.00 C ATOM 1115 CE LYS A 96 -17.738 -4.833 5.975 1.00 0.00 C ATOM 1116 NZ LYS A 96 -18.811 -5.829 6.174 1.00 0.00 N ATOM 0 H LYS A 96 -16.146 -3.293 2.160 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.388 -5.507 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -17.283 -5.444 1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -16.357 -6.924 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -17.647 -6.762 4.043 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -16.007 -6.362 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.568 -3.937 4.412 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -18.207 -4.336 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -16.862 -5.125 6.554 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -18.066 -3.867 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -19.194 -5.739 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -19.570 -5.665 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -18.425 -6.786 6.044 1.00 0.00 H new ATOM 1130 N ILE A 97 -13.676 -6.119 0.563 1.00 0.00 N ATOM 1131 CA ILE A 97 -13.203 -6.572 -0.715 1.00 0.00 C ATOM 1132 C ILE A 97 -13.024 -8.071 -0.575 1.00 0.00 C ATOM 1133 O ILE A 97 -12.571 -8.534 0.470 1.00 0.00 O ATOM 1134 CB ILE A 97 -11.822 -5.916 -1.074 1.00 0.00 C ATOM 1135 CG1 ILE A 97 -11.953 -4.388 -1.134 1.00 0.00 C ATOM 1136 CG2 ILE A 97 -11.272 -6.455 -2.387 1.00 0.00 C ATOM 1137 CD1 ILE A 97 -10.685 -3.656 -1.520 1.00 0.00 C ATOM 0 H ILE A 97 -13.097 -6.422 1.346 1.00 0.00 H new ATOM 0 HA ILE A 97 -13.904 -6.304 -1.506 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.116 -6.178 -0.286 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -12.735 -4.132 -1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -12.282 -4.027 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -10.316 -5.979 -2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -11.131 -7.533 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.975 -6.240 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -10.875 -2.583 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.903 -3.875 -0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.363 -3.982 -2.509 1.00 0.00 H new ATOM 1149 N GLY A 98 -13.359 -8.821 -1.602 1.00 0.00 N ATOM 1150 CA GLY A 98 -13.229 -10.273 -1.561 1.00 0.00 C ATOM 1151 C GLY A 98 -14.025 -10.921 -0.427 1.00 0.00 C ATOM 1152 O GLY A 98 -13.666 -11.999 0.052 1.00 0.00 O ATOM 0 H GLY A 98 -13.725 -8.454 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.562 -10.687 -2.512 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.176 -10.533 -1.451 1.00 0.00 H new ATOM 1156 N GLY A 99 -15.071 -10.240 0.024 1.00 0.00 N ATOM 1157 CA GLY A 99 -15.900 -10.744 1.094 1.00 0.00 C ATOM 1158 C GLY A 99 -15.317 -10.483 2.476 1.00 0.00 C ATOM 1159 O GLY A 99 -15.900 -10.893 3.486 1.00 0.00 O ATOM 0 H GLY A 99 -15.361 -9.333 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.886 -10.283 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.040 -11.817 0.962 1.00 0.00 H new ATOM 1163 N ARG A 100 -14.193 -9.793 2.538 1.00 0.00 N ATOM 1164 CA ARG A 100 -13.538 -9.529 3.803 1.00 0.00 C ATOM 1165 C ARG A 100 -13.313 -8.037 3.999 1.00 0.00 C ATOM 1166 O ARG A 100 -13.085 -7.305 3.039 1.00 0.00 O ATOM 1167 CB ARG A 100 -12.227 -10.338 3.934 1.00 0.00 C ATOM 1168 CG ARG A 100 -11.180 -10.083 2.853 1.00 0.00 C ATOM 1169 CD ARG A 100 -9.989 -11.013 3.010 1.00 0.00 C ATOM 1170 NE ARG A 100 -10.354 -12.431 2.816 1.00 0.00 N ATOM 1171 CZ ARG A 100 -9.548 -13.481 3.041 1.00 0.00 C ATOM 1172 NH1 ARG A 100 -8.318 -13.309 3.524 1.00 0.00 N ATOM 1173 NH2 ARG A 100 -9.978 -14.704 2.773 1.00 0.00 N ATOM 0 H ARG A 100 -13.715 -9.405 1.725 1.00 0.00 H new ATOM 0 HA ARG A 100 -14.198 -9.863 4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -11.782 -10.118 4.904 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.475 -11.399 3.930 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.628 -10.224 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.845 -9.047 2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -9.218 -10.737 2.290 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.559 -10.884 4.003 1.00 0.00 H new ATOM 0 HE ARG A 100 -11.298 -12.629 2.483 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.977 -12.370 3.728 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.718 -14.117 3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.916 -14.844 2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.371 -15.506 2.941 1.00 0.00 H new ATOM 1187 N ALA A 101 -13.417 -7.590 5.223 1.00 0.00 N ATOM 1188 CA ALA A 101 -13.280 -6.183 5.542 1.00 0.00 C ATOM 1189 C ALA A 101 -11.830 -5.802 5.743 1.00 0.00 C ATOM 1190 O ALA A 101 -11.165 -6.312 6.661 1.00 0.00 O ATOM 1191 CB ALA A 101 -14.086 -5.835 6.780 1.00 0.00 C ATOM 0 H ALA A 101 -13.599 -8.186 6.030 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.667 -5.614 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.970 -4.774 7.003 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.139 -6.056 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.729 -6.425 7.624 1.00 0.00 H new ATOM 1197 N LEU A 102 -11.351 -4.915 4.899 1.00 0.00 N ATOM 1198 CA LEU A 102 -9.998 -4.426 4.971 1.00 0.00 C ATOM 1199 C LEU A 102 -9.743 -3.618 6.209 1.00 0.00 C ATOM 1200 O LEU A 102 -10.642 -2.928 6.737 1.00 0.00 O ATOM 1201 CB LEU A 102 -9.620 -3.603 3.745 1.00 0.00 C ATOM 1202 CG LEU A 102 -8.992 -4.360 2.587 1.00 0.00 C ATOM 1203 CD1 LEU A 102 -8.723 -3.413 1.438 1.00 0.00 C ATOM 1204 CD2 LEU A 102 -7.692 -4.988 3.047 1.00 0.00 C ATOM 0 H LEU A 102 -11.897 -4.511 4.138 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.370 -5.316 5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.517 -3.104 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.926 -2.823 4.059 1.00 0.00 H new ATOM 0 HG LEU A 102 -9.676 -5.139 2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.273 -3.963 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.661 -2.965 1.108 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.042 -2.628 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.238 -5.532 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.011 -4.207 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.891 -5.677 3.868 1.00 0.00 H new ATOM 1216 N LYS A 103 -8.540 -3.715 6.683 1.00 0.00 N ATOM 1217 CA LYS A 103 -8.114 -2.968 7.808 1.00 0.00 C ATOM 1218 C LYS A 103 -6.974 -2.093 7.380 1.00 0.00 C ATOM 1219 O LYS A 103 -5.974 -2.583 6.924 1.00 0.00 O ATOM 1220 CB LYS A 103 -7.685 -3.894 8.954 1.00 0.00 C ATOM 1221 CG LYS A 103 -7.266 -3.186 10.243 1.00 0.00 C ATOM 1222 CD LYS A 103 -8.427 -2.416 10.850 1.00 0.00 C ATOM 1223 CE LYS A 103 -8.064 -1.805 12.190 1.00 0.00 C ATOM 1224 NZ LYS A 103 -9.206 -1.085 12.794 1.00 0.00 N ATOM 0 H LYS A 103 -7.823 -4.325 6.289 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.938 -2.358 8.179 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.509 -4.570 9.181 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.854 -4.510 8.610 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.898 -3.919 10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.443 -2.503 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.737 -1.628 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.279 -3.084 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.730 -2.590 12.868 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.228 -1.117 12.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.918 -0.682 13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.509 -0.320 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.995 -1.746 12.941 1.00 0.00 H new ATOM 1238 N ILE A 104 -7.133 -0.817 7.467 1.00 0.00 N ATOM 1239 CA ILE A 104 -6.058 0.061 7.086 1.00 0.00 C ATOM 1240 C ILE A 104 -5.712 0.857 8.292 1.00 0.00 C ATOM 1241 O ILE A 104 -6.613 1.307 9.012 1.00 0.00 O ATOM 1242 CB ILE A 104 -6.441 1.058 5.972 1.00 0.00 C ATOM 1243 CG1 ILE A 104 -7.402 0.441 4.964 1.00 0.00 C ATOM 1244 CG2 ILE A 104 -5.177 1.521 5.248 1.00 0.00 C ATOM 1245 CD1 ILE A 104 -6.857 -0.737 4.176 1.00 0.00 C ATOM 0 H ILE A 104 -7.981 -0.354 7.793 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.241 -0.552 6.706 1.00 0.00 H new ATOM 0 HB ILE A 104 -6.944 1.904 6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.298 0.118 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.709 1.215 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -5.446 2.225 4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -4.509 2.008 5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.674 0.660 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -7.621 -1.100 3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.980 -0.422 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -6.578 -1.536 4.863 1.00 0.00 H new ATOM 1257 N ASP A 105 -4.466 1.013 8.553 1.00 0.00 N ATOM 1258 CA ASP A 105 -4.046 1.754 9.698 1.00 0.00 C ATOM 1259 C ASP A 105 -2.801 2.534 9.360 1.00 0.00 C ATOM 1260 O ASP A 105 -2.042 2.139 8.474 1.00 0.00 O ATOM 1261 CB ASP A 105 -3.798 0.797 10.859 1.00 0.00 C ATOM 1262 CG ASP A 105 -3.723 1.512 12.185 1.00 0.00 C ATOM 1263 OD1 ASP A 105 -4.661 2.275 12.510 1.00 0.00 O ATOM 1264 OD2 ASP A 105 -2.769 1.286 12.944 1.00 0.00 O ATOM 0 H ASP A 105 -3.707 0.635 7.986 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.823 2.459 9.995 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.597 0.056 10.893 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.868 0.255 10.688 1.00 0.00 H new ATOM 1269 N HIS A 106 -2.604 3.647 10.009 1.00 0.00 N ATOM 1270 CA HIS A 106 -1.430 4.452 9.766 1.00 0.00 C ATOM 1271 C HIS A 106 -0.256 3.875 10.534 1.00 0.00 C ATOM 1272 O HIS A 106 -0.369 3.562 11.726 1.00 0.00 O ATOM 1273 CB HIS A 106 -1.650 5.936 10.134 1.00 0.00 C ATOM 1274 CG HIS A 106 -2.622 6.686 9.249 1.00 0.00 C ATOM 1275 ND1 HIS A 106 -2.237 7.468 8.181 1.00 0.00 N ATOM 1276 CD2 HIS A 106 -3.974 6.793 9.314 1.00 0.00 C ATOM 1277 CE1 HIS A 106 -3.327 8.015 7.648 1.00 0.00 C ATOM 1278 NE2 HIS A 106 -4.418 7.637 8.296 1.00 0.00 N ATOM 0 H HIS A 106 -3.240 4.022 10.713 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.218 4.425 8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -2.006 5.989 11.163 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -0.688 6.447 10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -4.606 6.302 10.039 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -3.322 8.681 6.798 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -5.381 7.906 8.093 1.00 0.00 H new ATOM 1286 N THR A 107 0.840 3.713 9.864 1.00 0.00 N ATOM 1287 CA THR A 107 2.019 3.155 10.447 1.00 0.00 C ATOM 1288 C THR A 107 3.181 3.763 9.686 1.00 0.00 C ATOM 1289 O THR A 107 2.968 4.307 8.595 1.00 0.00 O ATOM 1290 CB THR A 107 2.038 1.584 10.272 1.00 0.00 C ATOM 1291 OG1 THR A 107 2.994 0.991 11.157 1.00 0.00 O ATOM 1292 CG2 THR A 107 2.417 1.198 8.835 1.00 0.00 C ATOM 0 H THR A 107 0.943 3.968 8.882 1.00 0.00 H new ATOM 0 HA THR A 107 2.068 3.367 11.515 1.00 0.00 H new ATOM 0 HB THR A 107 1.037 1.220 10.502 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.992 0.018 11.037 1.00 0.00 H new ATOM 0 HG21 THR A 107 2.423 0.112 8.740 1.00 0.00 H new ATOM 0 HG22 THR A 107 1.689 1.619 8.141 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.408 1.588 8.603 1.00 0.00 H new ATOM 1300 N PHE A 108 4.362 3.745 10.228 1.00 0.00 N ATOM 1301 CA PHE A 108 5.471 4.169 9.446 1.00 0.00 C ATOM 1302 C PHE A 108 6.307 2.939 9.163 1.00 0.00 C ATOM 1303 O PHE A 108 6.932 2.380 10.057 1.00 0.00 O ATOM 1304 CB PHE A 108 6.288 5.224 10.194 1.00 0.00 C ATOM 1305 CG PHE A 108 5.495 6.426 10.640 1.00 0.00 C ATOM 1306 CD1 PHE A 108 5.217 7.462 9.762 1.00 0.00 C ATOM 1307 CD2 PHE A 108 5.026 6.514 11.942 1.00 0.00 C ATOM 1308 CE1 PHE A 108 4.487 8.560 10.180 1.00 0.00 C ATOM 1309 CE2 PHE A 108 4.300 7.607 12.361 1.00 0.00 C ATOM 1310 CZ PHE A 108 4.029 8.631 11.480 1.00 0.00 C ATOM 0 H PHE A 108 4.574 3.450 11.181 1.00 0.00 H new ATOM 0 HA PHE A 108 5.137 4.629 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 108 6.744 4.760 11.069 1.00 0.00 H new ATOM 0 HB3 PHE A 108 7.102 5.559 9.551 1.00 0.00 H new ATOM 0 HD1 PHE A 108 5.573 7.411 8.744 1.00 0.00 H new ATOM 0 HD2 PHE A 108 5.233 5.714 12.637 1.00 0.00 H new ATOM 0 HE1 PHE A 108 4.275 9.362 9.489 1.00 0.00 H new ATOM 0 HE2 PHE A 108 3.944 7.661 13.379 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.459 9.488 11.806 1.00 0.00 H new ATOM 1320 N TYR A 109 6.308 2.516 7.943 1.00 0.00 N ATOM 1321 CA TYR A 109 7.040 1.345 7.556 1.00 0.00 C ATOM 1322 C TYR A 109 8.254 1.717 6.755 1.00 0.00 C ATOM 1323 O TYR A 109 8.163 2.505 5.823 1.00 0.00 O ATOM 1324 CB TYR A 109 6.141 0.377 6.777 1.00 0.00 C ATOM 1325 CG TYR A 109 6.822 -0.910 6.350 1.00 0.00 C ATOM 1326 CD1 TYR A 109 6.890 -1.996 7.204 1.00 0.00 C ATOM 1327 CD2 TYR A 109 7.400 -1.030 5.095 1.00 0.00 C ATOM 1328 CE1 TYR A 109 7.515 -3.162 6.823 1.00 0.00 C ATOM 1329 CE2 TYR A 109 8.022 -2.189 4.707 1.00 0.00 C ATOM 1330 CZ TYR A 109 8.080 -3.253 5.572 1.00 0.00 C ATOM 1331 OH TYR A 109 8.717 -4.414 5.187 1.00 0.00 O ATOM 0 H TYR A 109 5.803 2.969 7.182 1.00 0.00 H new ATOM 0 HA TYR A 109 7.377 0.838 8.460 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.277 0.129 7.393 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.764 0.886 5.889 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.445 -1.928 8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 109 7.360 -0.195 4.411 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.561 -4.000 7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.464 -2.264 3.725 1.00 0.00 H new ATOM 0 HH TYR A 109 9.059 -4.312 4.274 1.00 0.00 H new ATOM 1497 N ILE B 226 -7.474 14.951 -4.817 1.00 0.00 N ATOM 1498 CA ILE B 226 -6.294 14.305 -5.338 1.00 0.00 C ATOM 1499 C ILE B 226 -6.686 13.457 -6.535 1.00 0.00 C ATOM 1500 O ILE B 226 -7.720 12.756 -6.505 1.00 0.00 O ATOM 1501 CB ILE B 226 -5.527 13.426 -4.267 1.00 0.00 C ATOM 1502 CG1 ILE B 226 -4.894 14.273 -3.167 1.00 0.00 C ATOM 1503 CG2 ILE B 226 -4.458 12.563 -4.894 1.00 0.00 C ATOM 1504 CD1 ILE B 226 -5.826 14.695 -2.087 1.00 0.00 C ATOM 0 HA ILE B 226 -5.597 15.090 -5.632 1.00 0.00 H new ATOM 0 HB ILE B 226 -6.288 12.783 -3.825 1.00 0.00 H new ATOM 0 HG12 ILE B 226 -4.075 13.709 -2.720 1.00 0.00 H new ATOM 0 HG13 ILE B 226 -4.458 15.164 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE B 226 -3.961 11.979 -4.119 1.00 0.00 H new ATOM 0 HG22 ILE B 226 -4.914 11.889 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE B 226 -3.727 13.197 -5.396 1.00 0.00 H new ATOM 0 HD11 ILE B 226 -5.285 15.292 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE B 226 -6.633 15.290 -2.515 1.00 0.00 H new ATOM 0 HD13 ILE B 226 -6.244 13.813 -1.601 1.00 0.00 H new ATOM 1516 N MET B 227 -5.910 13.571 -7.594 1.00 0.00 N ATOM 1517 CA MET B 227 -6.123 12.812 -8.811 1.00 0.00 C ATOM 1518 C MET B 227 -5.873 11.328 -8.556 1.00 0.00 C ATOM 1519 O MET B 227 -5.143 10.958 -7.633 1.00 0.00 O ATOM 1520 CB MET B 227 -5.184 13.284 -9.942 1.00 0.00 C ATOM 1521 CG MET B 227 -3.721 12.971 -9.690 1.00 0.00 C ATOM 1522 SD MET B 227 -2.642 13.369 -11.083 1.00 0.00 S ATOM 1523 CE MET B 227 -2.996 15.108 -11.303 1.00 0.00 C ATOM 0 H MET B 227 -5.107 14.198 -7.635 1.00 0.00 H new ATOM 0 HA MET B 227 -7.156 12.973 -9.119 1.00 0.00 H new ATOM 0 HB2 MET B 227 -5.491 12.815 -10.877 1.00 0.00 H new ATOM 0 HB3 MET B 227 -5.299 14.360 -10.073 1.00 0.00 H new ATOM 0 HG2 MET B 227 -3.386 13.525 -8.813 1.00 0.00 H new ATOM 0 HG3 MET B 227 -3.621 11.911 -9.455 1.00 0.00 H new ATOM 0 HE1 MET B 227 -2.230 15.558 -11.935 1.00 0.00 H new ATOM 0 HE2 MET B 227 -3.971 15.224 -11.777 1.00 0.00 H new ATOM 0 HE3 MET B 227 -3.003 15.604 -10.332 1.00 0.00 H new ATOM 1533 N PRO B 228 -6.494 10.474 -9.336 1.00 0.00 N ATOM 1534 CA PRO B 228 -6.269 9.054 -9.251 1.00 0.00 C ATOM 1535 C PRO B 228 -4.900 8.662 -9.836 1.00 0.00 C ATOM 1536 O PRO B 228 -4.405 9.283 -10.809 1.00 0.00 O ATOM 1537 CB PRO B 228 -7.408 8.457 -10.073 1.00 0.00 C ATOM 1538 CG PRO B 228 -7.797 9.529 -11.033 1.00 0.00 C ATOM 1539 CD PRO B 228 -7.487 10.830 -10.359 1.00 0.00 C ATOM 0 HA PRO B 228 -6.255 8.696 -8.222 1.00 0.00 H new ATOM 0 HB2 PRO B 228 -7.087 7.557 -10.596 1.00 0.00 H new ATOM 0 HB3 PRO B 228 -8.247 8.174 -9.437 1.00 0.00 H new ATOM 0 HG2 PRO B 228 -7.244 9.434 -11.967 1.00 0.00 H new ATOM 0 HG3 PRO B 228 -8.856 9.463 -11.282 1.00 0.00 H new ATOM 0 HD2 PRO B 228 -7.089 11.560 -11.064 1.00 0.00 H new ATOM 0 HD3 PRO B 228 -8.379 11.271 -9.913 1.00 0.00 H new ATOM 1547 N GLY B 229 -4.292 7.670 -9.233 1.00 0.00 N ATOM 1548 CA GLY B 229 -3.016 7.171 -9.666 1.00 0.00 C ATOM 1549 C GLY B 229 -3.087 6.485 -11.008 1.00 0.00 C ATOM 1550 O GLY B 229 -4.169 6.115 -11.484 1.00 0.00 O ATOM 0 H GLY B 229 -4.674 7.184 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY B 229 -2.307 7.997 -9.721 1.00 0.00 H new ATOM 0 HA3 GLY B 229 -2.633 6.471 -8.924 1.00 0.00 H new ATOM 1554 N SER B 230 -1.944 6.250 -11.588 1.00 0.00 N ATOM 1555 CA SER B 230 -1.857 5.692 -12.917 1.00 0.00 C ATOM 1556 C SER B 230 -2.188 4.191 -12.927 1.00 0.00 C ATOM 1557 O SER B 230 -2.470 3.613 -13.971 1.00 0.00 O ATOM 1558 CB SER B 230 -0.466 5.953 -13.463 1.00 0.00 C ATOM 1559 OG SER B 230 -0.151 7.341 -13.347 1.00 0.00 O ATOM 0 H SER B 230 -1.040 6.439 -11.155 1.00 0.00 H new ATOM 0 HA SER B 230 -2.597 6.174 -13.556 1.00 0.00 H new ATOM 0 HB2 SER B 230 0.266 5.358 -12.917 1.00 0.00 H new ATOM 0 HB3 SER B 230 -0.412 5.645 -14.507 1.00 0.00 H new ATOM 0 HG SER B 230 0.749 7.503 -13.700 1.00 0.00 H new ATOM 1565 N ARG B 231 -2.202 3.581 -11.754 1.00 0.00 N ATOM 1566 CA ARG B 231 -2.484 2.156 -11.642 1.00 0.00 C ATOM 1567 C ARG B 231 -3.999 1.912 -11.597 1.00 0.00 C ATOM 1568 O ARG B 231 -4.459 0.764 -11.553 1.00 0.00 O ATOM 1569 CB ARG B 231 -1.830 1.583 -10.382 1.00 0.00 C ATOM 1570 CG ARG B 231 -0.333 1.831 -10.272 1.00 0.00 C ATOM 1571 CD ARG B 231 0.459 1.124 -11.368 1.00 0.00 C ATOM 1572 NE ARG B 231 1.911 1.342 -11.223 1.00 0.00 N ATOM 1573 CZ ARG B 231 2.852 0.853 -12.054 1.00 0.00 C ATOM 1574 NH1 ARG B 231 2.502 0.143 -13.124 1.00 0.00 N ATOM 1575 NH2 ARG B 231 4.139 1.087 -11.819 1.00 0.00 N ATOM 0 H ARG B 231 -2.022 4.048 -10.865 1.00 0.00 H new ATOM 0 HA ARG B 231 -2.071 1.654 -12.517 1.00 0.00 H new ATOM 0 HB2 ARG B 231 -2.320 2.012 -9.508 1.00 0.00 H new ATOM 0 HB3 ARG B 231 -2.009 0.508 -10.353 1.00 0.00 H new ATOM 0 HG2 ARG B 231 -0.141 2.903 -10.323 1.00 0.00 H new ATOM 0 HG3 ARG B 231 0.018 1.491 -9.298 1.00 0.00 H new ATOM 0 HD2 ARG B 231 0.247 0.055 -11.337 1.00 0.00 H new ATOM 0 HD3 ARG B 231 0.133 1.486 -12.343 1.00 0.00 H new ATOM 0 HE ARG B 231 2.226 1.906 -10.434 1.00 0.00 H new ATOM 0 HH11 ARG B 231 1.516 -0.034 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG B 231 3.219 -0.224 -13.749 1.00 0.00 H new ATOM 0 HH21 ARG B 231 4.417 1.638 -11.007 1.00 0.00 H new ATOM 0 HH22 ARG B 231 4.849 0.715 -12.450 1.00 0.00 H new ATOM 1589 N TRP B 232 -4.762 2.994 -11.593 1.00 0.00 N ATOM 1590 CA TRP B 232 -6.203 2.921 -11.538 1.00 0.00 C ATOM 1591 C TRP B 232 -6.793 2.533 -12.861 1.00 0.00 C ATOM 1592 O TRP B 232 -6.481 3.102 -13.919 1.00 0.00 O ATOM 1593 CB TRP B 232 -6.836 4.241 -11.047 1.00 0.00 C ATOM 1594 CG TRP B 232 -8.339 4.176 -10.836 1.00 0.00 C ATOM 1595 CD1 TRP B 232 -9.032 3.210 -10.165 1.00 0.00 C ATOM 1596 CD2 TRP B 232 -9.321 5.126 -11.274 1.00 0.00 C ATOM 1597 NE1 TRP B 232 -10.365 3.502 -10.145 1.00 0.00 N ATOM 1598 CE2 TRP B 232 -10.574 4.670 -10.816 1.00 0.00 C ATOM 1599 CE3 TRP B 232 -9.268 6.315 -11.998 1.00 0.00 C ATOM 1600 CZ2 TRP B 232 -11.755 5.359 -11.064 1.00 0.00 C ATOM 1601 CZ3 TRP B 232 -10.443 6.998 -12.242 1.00 0.00 C ATOM 1602 CH2 TRP B 232 -11.671 6.519 -11.775 1.00 0.00 C ATOM 0 H TRP B 232 -4.394 3.945 -11.628 1.00 0.00 H new ATOM 0 HA TRP B 232 -6.437 2.142 -10.813 1.00 0.00 H new ATOM 0 HB2 TRP B 232 -6.362 4.530 -10.109 1.00 0.00 H new ATOM 0 HB3 TRP B 232 -6.617 5.026 -11.771 1.00 0.00 H new ATOM 0 HD1 TRP B 232 -8.587 2.336 -9.713 1.00 0.00 H new ATOM 0 HE1 TRP B 232 -11.088 2.937 -9.700 1.00 0.00 H new ATOM 0 HE3 TRP B 232 -8.325 6.696 -12.362 1.00 0.00 H new ATOM 0 HZ2 TRP B 232 -12.705 4.989 -10.707 1.00 0.00 H new ATOM 0 HZ3 TRP B 232 -10.413 7.920 -12.804 1.00 0.00 H new ATOM 0 HH2 TRP B 232 -12.571 7.079 -11.982 1.00 0.00 H new ATOM 1613 N ASP B 233 -7.604 1.560 -12.778 1.00 0.00 N ATOM 1614 CA ASP B 233 -8.423 1.082 -13.822 1.00 0.00 C ATOM 1615 C ASP B 233 -9.764 1.161 -13.219 1.00 0.00 C ATOM 1616 O ASP B 233 -9.829 0.999 -12.029 1.00 0.00 O ATOM 1617 CB ASP B 233 -8.100 -0.373 -14.156 1.00 0.00 C ATOM 1618 CG ASP B 233 -8.941 -0.916 -15.290 1.00 0.00 C ATOM 1619 OD1 ASP B 233 -8.644 -0.606 -16.458 1.00 0.00 O ATOM 1620 OD2 ASP B 233 -9.885 -1.699 -15.034 1.00 0.00 O ATOM 0 H ASP B 233 -7.726 1.033 -11.914 1.00 0.00 H new ATOM 0 HA ASP B 233 -8.305 1.641 -14.751 1.00 0.00 H new ATOM 0 HB2 ASP B 233 -7.046 -0.455 -14.421 1.00 0.00 H new ATOM 0 HB3 ASP B 233 -8.255 -0.987 -13.269 1.00 0.00 H new ATOM 1625 N GLY B 234 -10.753 1.518 -14.008 1.00 0.00 N ATOM 1626 CA GLY B 234 -12.194 1.677 -13.665 1.00 0.00 C ATOM 1627 C GLY B 234 -12.762 0.677 -12.684 1.00 0.00 C ATOM 1628 O GLY B 234 -13.564 -0.194 -13.015 1.00 0.00 O ATOM 0 H GLY B 234 -10.582 1.727 -14.992 1.00 0.00 H new ATOM 0 HA2 GLY B 234 -12.341 2.677 -13.258 1.00 0.00 H new ATOM 0 HA3 GLY B 234 -12.774 1.620 -14.586 1.00 0.00 H new ATOM 1714 N GLY B 240 -18.272 3.056 2.667 1.00 0.00 N ATOM 1715 CA GLY B 240 -19.564 2.873 3.249 1.00 0.00 C ATOM 1716 C GLY B 240 -20.589 2.451 2.246 1.00 0.00 C ATOM 1717 O GLY B 240 -21.652 2.978 2.223 1.00 0.00 O ATOM 0 HA2 GLY B 240 -19.501 2.123 4.037 1.00 0.00 H new ATOM 0 HA3 GLY B 240 -19.882 3.803 3.719 1.00 0.00 H new ATOM 1721 N PHE B 241 -20.270 1.503 1.422 1.00 0.00 N ATOM 1722 CA PHE B 241 -21.224 1.053 0.409 1.00 0.00 C ATOM 1723 C PHE B 241 -22.317 0.188 1.034 1.00 0.00 C ATOM 1724 O PHE B 241 -23.485 0.258 0.647 1.00 0.00 O ATOM 1725 CB PHE B 241 -20.506 0.313 -0.743 1.00 0.00 C ATOM 1726 CG PHE B 241 -19.670 -0.865 -0.298 1.00 0.00 C ATOM 1727 CD1 PHE B 241 -20.221 -2.126 -0.193 1.00 0.00 C ATOM 1728 CD2 PHE B 241 -18.340 -0.701 0.020 1.00 0.00 C ATOM 1729 CE1 PHE B 241 -19.468 -3.196 0.221 1.00 0.00 C ATOM 1730 CE2 PHE B 241 -17.581 -1.771 0.435 1.00 0.00 C ATOM 1731 CZ PHE B 241 -18.145 -3.016 0.536 1.00 0.00 C ATOM 0 H PHE B 241 -19.372 1.019 1.415 1.00 0.00 H new ATOM 0 HA PHE B 241 -21.704 1.934 -0.017 1.00 0.00 H new ATOM 0 HB2 PHE B 241 -21.252 -0.035 -1.457 1.00 0.00 H new ATOM 0 HB3 PHE B 241 -19.866 1.020 -1.270 1.00 0.00 H new ATOM 0 HD1 PHE B 241 -21.262 -2.273 -0.441 1.00 0.00 H new ATOM 0 HD2 PHE B 241 -17.888 0.277 -0.057 1.00 0.00 H new ATOM 0 HE1 PHE B 241 -19.915 -4.176 0.299 1.00 0.00 H new ATOM 0 HE2 PHE B 241 -16.539 -1.630 0.682 1.00 0.00 H new ATOM 0 HZ PHE B 241 -17.548 -3.855 0.863 1.00 0.00 H new ATOM 1741 N GLU B 242 -21.931 -0.560 2.047 1.00 0.00 N ATOM 1742 CA GLU B 242 -22.805 -1.510 2.708 1.00 0.00 C ATOM 1743 C GLU B 242 -23.985 -0.794 3.377 1.00 0.00 C ATOM 1744 O GLU B 242 -25.135 -1.260 3.304 1.00 0.00 O ATOM 1745 CB GLU B 242 -21.994 -2.299 3.725 1.00 0.00 C ATOM 1746 CG GLU B 242 -22.733 -3.427 4.404 1.00 0.00 C ATOM 1747 CD GLU B 242 -21.873 -4.095 5.429 1.00 0.00 C ATOM 1748 OE1 GLU B 242 -21.121 -5.036 5.086 1.00 0.00 O ATOM 1749 OE2 GLU B 242 -21.889 -3.668 6.595 1.00 0.00 O ATOM 0 H GLU B 242 -20.990 -0.526 2.440 1.00 0.00 H new ATOM 0 HA GLU B 242 -23.222 -2.196 1.970 1.00 0.00 H new ATOM 0 HB2 GLU B 242 -21.117 -2.710 3.226 1.00 0.00 H new ATOM 0 HB3 GLU B 242 -21.633 -1.611 4.489 1.00 0.00 H new ATOM 0 HG2 GLU B 242 -23.636 -3.041 4.878 1.00 0.00 H new ATOM 0 HG3 GLU B 242 -23.051 -4.157 3.660 1.00 0.00 H new ATOM 1756 N GLU B 243 -23.705 0.358 3.978 1.00 0.00 N ATOM 1757 CA GLU B 243 -24.730 1.140 4.651 1.00 0.00 C ATOM 1758 C GLU B 243 -25.736 1.701 3.658 1.00 0.00 C ATOM 1759 O GLU B 243 -26.910 1.758 3.947 1.00 0.00 O ATOM 1760 CB GLU B 243 -24.124 2.288 5.463 1.00 0.00 C ATOM 1761 CG GLU B 243 -23.290 3.233 4.635 1.00 0.00 C ATOM 1762 CD GLU B 243 -22.870 4.475 5.352 1.00 0.00 C ATOM 1763 OE1 GLU B 243 -21.927 4.424 6.167 1.00 0.00 O ATOM 1764 OE2 GLU B 243 -23.452 5.548 5.078 1.00 0.00 O ATOM 0 H GLU B 243 -22.772 0.770 4.011 1.00 0.00 H new ATOM 0 HA GLU B 243 -25.242 0.462 5.334 1.00 0.00 H new ATOM 0 HB2 GLU B 243 -24.927 2.848 5.941 1.00 0.00 H new ATOM 0 HB3 GLU B 243 -23.506 1.873 6.260 1.00 0.00 H new ATOM 0 HG2 GLU B 243 -22.399 2.707 4.292 1.00 0.00 H new ATOM 0 HG3 GLU B 243 -23.856 3.514 3.747 1.00 0.00 H new ATOM 1771 N LYS B 244 -25.264 2.076 2.469 1.00 0.00 N ATOM 1772 CA LYS B 244 -26.109 2.699 1.468 1.00 0.00 C ATOM 1773 C LYS B 244 -27.125 1.698 0.980 1.00 0.00 C ATOM 1774 O LYS B 244 -28.311 1.988 0.909 1.00 0.00 O ATOM 1775 CB LYS B 244 -25.262 3.164 0.295 1.00 0.00 C ATOM 1776 CG LYS B 244 -23.988 3.878 0.697 1.00 0.00 C ATOM 1777 CD LYS B 244 -24.214 5.154 1.470 1.00 0.00 C ATOM 1778 CE LYS B 244 -22.883 5.833 1.783 1.00 0.00 C ATOM 1779 NZ LYS B 244 -23.034 6.933 2.743 1.00 0.00 N ATOM 0 H LYS B 244 -24.293 1.955 2.181 1.00 0.00 H new ATOM 0 HA LYS B 244 -26.616 3.557 1.910 1.00 0.00 H new ATOM 0 HB2 LYS B 244 -25.004 2.300 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS B 244 -25.858 3.830 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS B 244 -23.381 3.203 1.300 1.00 0.00 H new ATOM 0 HG3 LYS B 244 -23.414 4.107 -0.201 1.00 0.00 H new ATOM 0 HD2 LYS B 244 -24.846 5.829 0.893 1.00 0.00 H new ATOM 0 HD3 LYS B 244 -24.744 4.935 2.397 1.00 0.00 H new ATOM 0 HE2 LYS B 244 -22.187 5.096 2.184 1.00 0.00 H new ATOM 0 HE3 LYS B 244 -22.446 6.216 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 244 -22.118 7.408 2.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 244 -23.730 7.616 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 244 -23.362 6.555 3.655 1.00 0.00 H new ATOM 1793 N TRP B 245 -26.651 0.498 0.698 1.00 0.00 N ATOM 1794 CA TRP B 245 -27.499 -0.575 0.203 1.00 0.00 C ATOM 1795 C TRP B 245 -28.524 -0.961 1.261 1.00 0.00 C ATOM 1796 O TRP B 245 -29.681 -1.209 0.963 1.00 0.00 O ATOM 1797 CB TRP B 245 -26.654 -1.788 -0.225 1.00 0.00 C ATOM 1798 CG TRP B 245 -25.619 -1.465 -1.280 1.00 0.00 C ATOM 1799 CD1 TRP B 245 -25.599 -0.381 -2.115 1.00 0.00 C ATOM 1800 CD2 TRP B 245 -24.467 -2.248 -1.626 1.00 0.00 C ATOM 1801 NE1 TRP B 245 -24.500 -0.430 -2.926 1.00 0.00 N ATOM 1802 CE2 TRP B 245 -23.794 -1.567 -2.658 1.00 0.00 C ATOM 1803 CE3 TRP B 245 -23.939 -3.451 -1.161 1.00 0.00 C ATOM 1804 CZ2 TRP B 245 -22.622 -2.052 -3.231 1.00 0.00 C ATOM 1805 CZ3 TRP B 245 -22.780 -3.933 -1.731 1.00 0.00 C ATOM 1806 CH2 TRP B 245 -22.133 -3.234 -2.756 1.00 0.00 C ATOM 0 H TRP B 245 -25.670 0.239 0.805 1.00 0.00 H new ATOM 0 HA TRP B 245 -28.034 -0.221 -0.679 1.00 0.00 H new ATOM 0 HB2 TRP B 245 -26.151 -2.197 0.651 1.00 0.00 H new ATOM 0 HB3 TRP B 245 -27.317 -2.566 -0.605 1.00 0.00 H new ATOM 0 HD1 TRP B 245 -26.344 0.401 -2.131 1.00 0.00 H new ATOM 0 HE1 TRP B 245 -24.247 0.272 -3.622 1.00 0.00 H new ATOM 0 HE3 TRP B 245 -24.429 -3.996 -0.368 1.00 0.00 H new ATOM 0 HZ2 TRP B 245 -22.119 -1.514 -4.021 1.00 0.00 H new ATOM 0 HZ3 TRP B 245 -22.364 -4.866 -1.380 1.00 0.00 H new ATOM 0 HH2 TRP B 245 -21.226 -3.639 -3.181 1.00 0.00 H new ATOM 1817 N PHE B 246 -28.091 -0.940 2.496 1.00 0.00 N ATOM 1818 CA PHE B 246 -28.931 -1.211 3.646 1.00 0.00 C ATOM 1819 C PHE B 246 -29.934 -0.064 3.883 1.00 0.00 C ATOM 1820 O PHE B 246 -31.028 -0.274 4.409 1.00 0.00 O ATOM 1821 CB PHE B 246 -28.009 -1.461 4.862 1.00 0.00 C ATOM 1822 CG PHE B 246 -28.571 -1.162 6.211 1.00 0.00 C ATOM 1823 CD1 PHE B 246 -29.304 -2.100 6.914 1.00 0.00 C ATOM 1824 CD2 PHE B 246 -28.339 0.076 6.785 1.00 0.00 C ATOM 1825 CE1 PHE B 246 -29.800 -1.804 8.169 1.00 0.00 C ATOM 1826 CE2 PHE B 246 -28.828 0.381 8.027 1.00 0.00 C ATOM 1827 CZ PHE B 246 -29.563 -0.559 8.727 1.00 0.00 C ATOM 0 H PHE B 246 -27.123 -0.730 2.741 1.00 0.00 H new ATOM 0 HA PHE B 246 -29.538 -2.100 3.476 1.00 0.00 H new ATOM 0 HB2 PHE B 246 -27.704 -2.507 4.846 1.00 0.00 H new ATOM 0 HB3 PHE B 246 -27.106 -0.864 4.731 1.00 0.00 H new ATOM 0 HD1 PHE B 246 -29.490 -3.071 6.479 1.00 0.00 H new ATOM 0 HD2 PHE B 246 -27.763 0.813 6.245 1.00 0.00 H new ATOM 0 HE1 PHE B 246 -30.371 -2.542 8.713 1.00 0.00 H new ATOM 0 HE2 PHE B 246 -28.640 1.353 8.459 1.00 0.00 H new ATOM 0 HZ PHE B 246 -29.951 -0.322 9.707 1.00 0.00 H new ATOM 1837 N ALA B 247 -29.554 1.126 3.530 1.00 0.00 N ATOM 1838 CA ALA B 247 -30.419 2.269 3.673 1.00 0.00 C ATOM 1839 C ALA B 247 -31.468 2.339 2.554 1.00 0.00 C ATOM 1840 O ALA B 247 -32.646 2.580 2.813 1.00 0.00 O ATOM 1841 CB ALA B 247 -29.590 3.538 3.729 1.00 0.00 C ATOM 0 H ALA B 247 -28.638 1.338 3.135 1.00 0.00 H new ATOM 0 HA ALA B 247 -30.968 2.164 4.609 1.00 0.00 H new ATOM 0 HB1 ALA B 247 -30.250 4.399 3.837 1.00 0.00 H new ATOM 0 HB2 ALA B 247 -28.911 3.492 4.580 1.00 0.00 H new ATOM 0 HB3 ALA B 247 -29.013 3.636 2.810 1.00 0.00 H new ATOM 1847 N LYS B 248 -31.062 2.036 1.331 1.00 0.00 N ATOM 1848 CA LYS B 248 -31.949 2.165 0.171 1.00 0.00 C ATOM 1849 C LYS B 248 -32.857 0.977 0.038 1.00 0.00 C ATOM 1850 O LYS B 248 -33.882 1.033 -0.636 1.00 0.00 O ATOM 1851 CB LYS B 248 -31.148 2.409 -1.124 1.00 0.00 C ATOM 1852 CG LYS B 248 -30.172 1.290 -1.525 1.00 0.00 C ATOM 1853 CD LYS B 248 -30.830 0.123 -2.277 1.00 0.00 C ATOM 1854 CE LYS B 248 -31.409 0.537 -3.630 1.00 0.00 C ATOM 1855 NZ LYS B 248 -30.373 1.027 -4.571 1.00 0.00 N ATOM 0 H LYS B 248 -30.125 1.699 1.109 1.00 0.00 H new ATOM 0 HA LYS B 248 -32.579 3.039 0.337 1.00 0.00 H new ATOM 0 HB2 LYS B 248 -31.852 2.562 -1.942 1.00 0.00 H new ATOM 0 HB3 LYS B 248 -30.584 3.335 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS B 248 -29.387 1.714 -2.151 1.00 0.00 H new ATOM 0 HG3 LYS B 248 -29.690 0.904 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS B 248 -30.093 -0.666 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS B 248 -31.625 -0.297 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS B 248 -31.925 -0.314 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS B 248 -32.154 1.318 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS B 248 -30.796 1.165 -5.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 248 -29.991 1.931 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 248 -29.605 0.329 -4.636 1.00 0.00 H new ATOM 1869 N GLN B 249 -32.506 -0.090 0.735 1.00 0.00 N ATOM 1870 CA GLN B 249 -33.263 -1.335 0.686 1.00 0.00 C ATOM 1871 C GLN B 249 -34.618 -1.174 1.388 1.00 0.00 C ATOM 1872 O GLN B 249 -35.413 -2.118 1.471 1.00 0.00 O ATOM 1873 CB GLN B 249 -32.470 -2.487 1.306 1.00 0.00 C ATOM 1874 CG GLN B 249 -32.382 -2.450 2.806 1.00 0.00 C ATOM 1875 CD GLN B 249 -31.585 -3.597 3.382 1.00 0.00 C ATOM 1876 OE1 GLN B 249 -31.875 -4.061 4.477 1.00 0.00 O ATOM 1877 NE2 GLN B 249 -30.564 -4.036 2.682 1.00 0.00 N ATOM 0 H GLN B 249 -31.692 -0.121 1.349 1.00 0.00 H new ATOM 0 HA GLN B 249 -33.444 -1.576 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN B 249 -32.928 -3.429 1.005 1.00 0.00 H new ATOM 0 HB3 GLN B 249 -31.460 -2.478 0.896 1.00 0.00 H new ATOM 0 HG2 GLN B 249 -31.927 -1.509 3.114 1.00 0.00 H new ATOM 0 HG3 GLN B 249 -33.389 -2.469 3.224 1.00 0.00 H new ATOM 0 HE21 GLN B 249 -30.354 -3.624 1.773 1.00 0.00 H new ATOM 0 HE22 GLN B 249 -29.981 -4.789 3.047 1.00 0.00 H new ATOM 1886 N ASN B 250 -34.855 0.030 1.907 1.00 0.00 N ATOM 1887 CA ASN B 250 -36.126 0.382 2.528 1.00 0.00 C ATOM 1888 C ASN B 250 -37.218 0.327 1.473 1.00 0.00 C ATOM 1889 O ASN B 250 -38.382 0.033 1.771 1.00 0.00 O ATOM 1890 CB ASN B 250 -36.101 1.783 3.177 1.00 0.00 C ATOM 1891 CG ASN B 250 -36.155 2.920 2.188 1.00 0.00 C ATOM 1892 OD1 ASN B 250 -37.218 3.411 1.847 1.00 0.00 O ATOM 1893 ND2 ASN B 250 -35.032 3.330 1.730 1.00 0.00 N ATOM 0 H ASN B 250 -34.171 0.786 1.908 1.00 0.00 H new ATOM 0 HA ASN B 250 -36.319 -0.335 3.326 1.00 0.00 H new ATOM 0 HB2 ASN B 250 -36.945 1.870 3.861 1.00 0.00 H new ATOM 0 HB3 ASN B 250 -35.195 1.879 3.775 1.00 0.00 H new ATOM 0 HD21 ASN B 250 -35.005 4.094 1.055 1.00 0.00 H new ATOM 0 HD22 ASN B 250 -34.164 2.893 2.040 1.00 0.00 H new ATOM 1900 N GLU B 251 -36.821 0.610 0.237 1.00 0.00 N ATOM 1901 CA GLU B 251 -37.691 0.541 -0.894 1.00 0.00 C ATOM 1902 C GLU B 251 -37.688 -0.886 -1.388 1.00 0.00 C ATOM 1903 O GLU B 251 -36.669 -1.401 -1.886 1.00 0.00 O ATOM 1904 CB GLU B 251 -37.256 1.513 -1.982 1.00 0.00 C ATOM 1905 CG GLU B 251 -37.180 2.954 -1.503 1.00 0.00 C ATOM 1906 CD GLU B 251 -37.003 3.936 -2.627 1.00 0.00 C ATOM 1907 OE1 GLU B 251 -38.022 4.314 -3.260 1.00 0.00 O ATOM 1908 OE2 GLU B 251 -35.847 4.352 -2.905 1.00 0.00 O ATOM 0 H GLU B 251 -35.869 0.896 0.007 1.00 0.00 H new ATOM 0 HA GLU B 251 -38.703 0.832 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU B 251 -36.280 1.211 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU B 251 -37.955 1.451 -2.816 1.00 0.00 H new ATOM 0 HG2 GLU B 251 -38.090 3.198 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU B 251 -36.350 3.056 -0.804 1.00 0.00 H new ATOM 1915 N ILE B 252 -38.803 -1.525 -1.222 1.00 0.00 N ATOM 1916 CA ILE B 252 -38.915 -2.950 -1.442 1.00 0.00 C ATOM 1917 C ILE B 252 -39.733 -3.316 -2.677 1.00 0.00 C ATOM 1918 O ILE B 252 -39.583 -4.399 -3.213 1.00 0.00 O ATOM 1919 CB ILE B 252 -39.550 -3.632 -0.211 1.00 0.00 C ATOM 1920 CG1 ILE B 252 -40.935 -3.037 0.064 1.00 0.00 C ATOM 1921 CG2 ILE B 252 -38.652 -3.469 1.010 1.00 0.00 C ATOM 1922 CD1 ILE B 252 -41.659 -3.678 1.205 1.00 0.00 C ATOM 0 H ILE B 252 -39.672 -1.079 -0.928 1.00 0.00 H new ATOM 0 HA ILE B 252 -37.898 -3.305 -1.606 1.00 0.00 H new ATOM 0 HB ILE B 252 -39.660 -4.696 -0.419 1.00 0.00 H new ATOM 0 HG12 ILE B 252 -40.827 -1.972 0.269 1.00 0.00 H new ATOM 0 HG13 ILE B 252 -41.543 -3.129 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE B 252 -39.114 -3.955 1.869 1.00 0.00 H new ATOM 0 HG22 ILE B 252 -37.682 -3.926 0.812 1.00 0.00 H new ATOM 0 HG23 ILE B 252 -38.516 -2.409 1.223 1.00 0.00 H new ATOM 0 HD11 ILE B 252 -42.630 -3.200 1.334 1.00 0.00 H new ATOM 0 HD12 ILE B 252 -41.801 -4.738 0.996 1.00 0.00 H new ATOM 0 HD13 ILE B 252 -41.074 -3.563 2.118 1.00 0.00 H new ATOM 1934 N ASN B 253 -40.613 -2.445 -3.106 1.00 0.00 N ATOM 1935 CA ASN B 253 -41.484 -2.778 -4.249 1.00 0.00 C ATOM 1936 C ASN B 253 -41.249 -1.869 -5.436 1.00 0.00 C ATOM 1937 O ASN B 253 -41.610 -2.201 -6.557 1.00 0.00 O ATOM 1938 CB ASN B 253 -42.966 -2.687 -3.855 1.00 0.00 C ATOM 1939 CG ASN B 253 -43.464 -1.257 -3.661 1.00 0.00 C ATOM 1940 OD1 ASN B 253 -43.912 -0.613 -4.612 1.00 0.00 O ATOM 1941 ND2 ASN B 253 -43.443 -0.774 -2.454 1.00 0.00 N ATOM 0 H ASN B 253 -40.758 -1.518 -2.705 1.00 0.00 H new ATOM 0 HA ASN B 253 -41.231 -3.799 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN B 253 -43.568 -3.170 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN B 253 -43.122 -3.245 -2.932 1.00 0.00 H new ATOM 0 HD21 ASN B 253 -43.804 0.163 -2.273 1.00 0.00 H new ATOM 0 HD22 ASN B 253 -43.066 -1.332 -1.688 1.00 0.00 H new ATOM 1948 N GLU B 254 -40.663 -0.736 -5.169 1.00 0.00 N ATOM 1949 CA GLU B 254 -40.463 0.330 -6.155 1.00 0.00 C ATOM 1950 C GLU B 254 -39.577 -0.142 -7.356 1.00 0.00 C ATOM 1951 O GLU B 254 -38.885 -1.170 -7.274 1.00 0.00 O ATOM 1952 CB GLU B 254 -39.877 1.544 -5.410 1.00 0.00 C ATOM 1953 CG GLU B 254 -40.391 2.919 -5.847 1.00 0.00 C ATOM 1954 CD GLU B 254 -39.944 3.348 -7.208 1.00 0.00 C ATOM 1955 OE1 GLU B 254 -38.844 3.937 -7.326 1.00 0.00 O ATOM 1956 OE2 GLU B 254 -40.674 3.094 -8.193 1.00 0.00 O ATOM 0 H GLU B 254 -40.297 -0.507 -4.245 1.00 0.00 H new ATOM 0 HA GLU B 254 -41.412 0.612 -6.611 1.00 0.00 H new ATOM 0 HB2 GLU B 254 -40.081 1.424 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU B 254 -38.794 1.529 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU B 254 -41.481 2.909 -5.823 1.00 0.00 H new ATOM 0 HG3 GLU B 254 -40.063 3.662 -5.120 1.00 0.00 H new