USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 27 SER OG : rot -106:sc= 0.978 USER MOD Set 1.2: A 75 ASN : amide:sc= -3.83! C(o=-2.9!,f=-1.8!) USER MOD Set 2.1: A 70 ASN : amide:sc= -0.621 K(o=-0.79,f=2.2) USER MOD Set 2.2: A 76 TYR OH : rot -130:sc= -0.171 USER MOD Set 3.1: A 56 SER OG : rot 180:sc= -2.92! USER MOD Set 3.2: A 63 LYS NZ :NH3+ -178:sc= -0.103 (180deg=-0.111) USER MOD Set 4.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 50 SER OG : rot 154:sc= 0.117 USER MOD Single : A 7 SER OG : rot 25:sc= 0.0618 USER MOD Single : A 13 THR OG1 : rot -18:sc= -1.55! USER MOD Single : A 14 MET CE :methyl -123:sc=-0.00901 (180deg=-0.529) USER MOD Single : A 18 GLN : amide:sc= -0.887 K(o=-0.89,f=-3.1!) USER MOD Single : A 19 SER OG : rot 24:sc= 0.441 USER MOD Single : A 21 GLN : amide:sc= -0.019 X(o=-0.019,f=-0.048) USER MOD Single : A 22 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.202) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 109:sc= 1.42 USER MOD Single : A 30 CYS SG : rot 54:sc= 1.29 USER MOD Single : A 34 SER OG : rot -160:sc= -0.0539 USER MOD Single : A 35 ASN : amide:sc= 0.634 K(o=0.63,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.8!) USER MOD Single : A 49 ASN : amide:sc= -1.65 K(o=-1.6,f=-5.3!) USER MOD Single : A 53 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-0.45) USER MOD Single : A 54 ASN : amide:sc= -1.31 K(o=-1.3,f=-6.7!) USER MOD Single : A 58 ASN : amide:sc= 0.714 K(o=0.71,f=-1.9!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.3) USER MOD Single : A 83 SER OG : rot 180:sc= -0.58 USER MOD Single : A 86 MET CE :methyl -179:sc= -4.29 (180deg=-4.29) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 -4.975 -5.938 5.968 1.00 0.00 N ATOM 89 CA SER A 7 -4.081 -6.081 7.105 1.00 0.00 C ATOM 90 C SER A 7 -3.348 -7.422 7.030 1.00 0.00 C ATOM 91 O SER A 7 -3.239 -8.014 5.957 1.00 0.00 O ATOM 92 CB SER A 7 -4.847 -5.968 8.425 1.00 0.00 C ATOM 93 OG SER A 7 -5.565 -4.741 8.523 1.00 0.00 O ATOM 0 HA SER A 7 -3.350 -5.273 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 7 -5.542 -6.803 8.513 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.148 -6.046 9.258 1.00 0.00 H new ATOM 0 HG SER A 7 -5.764 -4.405 7.624 1.00 0.00 H new ATOM 99 N TYR A 8 -2.865 -7.862 8.182 1.00 0.00 N ATOM 100 CA TYR A 8 -2.146 -9.122 8.260 1.00 0.00 C ATOM 101 C TYR A 8 -3.087 -10.306 8.027 1.00 0.00 C ATOM 102 O TYR A 8 -2.676 -11.333 7.490 1.00 0.00 O ATOM 103 CB TYR A 8 -1.588 -9.202 9.682 1.00 0.00 C ATOM 104 CG TYR A 8 -0.772 -7.977 10.101 1.00 0.00 C ATOM 105 CD1 TYR A 8 0.328 -7.594 9.359 1.00 0.00 C ATOM 106 CD2 TYR A 8 -1.136 -7.254 11.219 1.00 0.00 C ATOM 107 CE1 TYR A 8 1.095 -6.441 9.753 1.00 0.00 C ATOM 108 CE2 TYR A 8 -0.368 -6.101 11.612 1.00 0.00 C ATOM 109 CZ TYR A 8 0.710 -5.752 10.860 1.00 0.00 C ATOM 110 OH TYR A 8 1.435 -4.663 11.232 1.00 0.00 O ATOM 0 H TYR A 8 -2.957 -7.368 9.070 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.365 -9.165 7.501 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -2.416 -9.330 10.379 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -0.961 -10.089 9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.613 -8.159 8.484 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -1.997 -7.553 11.799 1.00 0.00 H new ATOM 0 HE1 TYR A 8 1.957 -6.130 9.182 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.642 -5.526 12.484 1.00 0.00 H new ATOM 0 HH TYR A 8 1.043 -4.270 12.040 1.00 0.00 H new ATOM 120 N ILE A 9 -4.332 -10.122 8.442 1.00 0.00 N ATOM 121 CA ILE A 9 -5.334 -11.162 8.285 1.00 0.00 C ATOM 122 C ILE A 9 -5.338 -11.645 6.833 1.00 0.00 C ATOM 123 O ILE A 9 -5.232 -12.843 6.574 1.00 0.00 O ATOM 124 CB ILE A 9 -6.698 -10.669 8.772 1.00 0.00 C ATOM 125 CG1 ILE A 9 -7.749 -11.777 8.673 1.00 0.00 C ATOM 126 CG2 ILE A 9 -7.125 -9.405 8.023 1.00 0.00 C ATOM 127 CD1 ILE A 9 -8.631 -11.810 9.923 1.00 0.00 C ATOM 0 H ILE A 9 -4.669 -9.268 8.887 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.090 -12.023 8.908 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.608 -10.403 9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.369 -11.617 7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.256 -12.741 8.546 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.098 -9.076 8.389 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.390 -8.618 8.189 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.192 -9.619 6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.369 -12.606 9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.011 -11.994 10.801 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.142 -10.853 10.033 1.00 0.00 H new ATOM 139 N ALA A 10 -5.460 -10.689 5.924 1.00 0.00 N ATOM 140 CA ALA A 10 -5.479 -11.003 4.506 1.00 0.00 C ATOM 141 C ALA A 10 -4.159 -11.671 4.118 1.00 0.00 C ATOM 142 O ALA A 10 -4.156 -12.726 3.486 1.00 0.00 O ATOM 143 CB ALA A 10 -5.744 -9.726 3.704 1.00 0.00 C ATOM 0 H ALA A 10 -5.547 -9.696 6.142 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.282 -11.704 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.758 -9.961 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.707 -9.306 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.956 -9.000 3.905 1.00 0.00 H new ATOM 149 N LEU A 11 -3.069 -11.030 4.513 1.00 0.00 N ATOM 150 CA LEU A 11 -1.746 -11.549 4.215 1.00 0.00 C ATOM 151 C LEU A 11 -1.643 -12.991 4.718 1.00 0.00 C ATOM 152 O LEU A 11 -0.891 -13.792 4.166 1.00 0.00 O ATOM 153 CB LEU A 11 -0.667 -10.623 4.779 1.00 0.00 C ATOM 154 CG LEU A 11 -0.753 -9.155 4.355 1.00 0.00 C ATOM 155 CD1 LEU A 11 0.294 -8.311 5.084 1.00 0.00 C ATOM 156 CD2 LEU A 11 -0.645 -9.017 2.835 1.00 0.00 C ATOM 0 H LEU A 11 -3.076 -10.155 5.037 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.581 -11.574 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.709 -10.669 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.308 -11.010 4.481 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.732 -8.772 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.211 -7.272 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.128 -8.374 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.291 -8.684 4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.709 -7.964 2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.310 -9.422 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.459 -9.566 2.361 1.00 0.00 H new ATOM 168 N ILE A 12 -2.410 -13.276 5.759 1.00 0.00 N ATOM 169 CA ILE A 12 -2.415 -14.607 6.343 1.00 0.00 C ATOM 170 C ILE A 12 -3.259 -15.539 5.470 1.00 0.00 C ATOM 171 O ILE A 12 -2.761 -16.545 4.968 1.00 0.00 O ATOM 172 CB ILE A 12 -2.871 -14.551 7.802 1.00 0.00 C ATOM 173 CG1 ILE A 12 -1.761 -14.005 8.703 1.00 0.00 C ATOM 174 CG2 ILE A 12 -3.372 -15.918 8.273 1.00 0.00 C ATOM 175 CD1 ILE A 12 -0.422 -14.675 8.389 1.00 0.00 C ATOM 0 H ILE A 12 -3.033 -12.608 6.214 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.405 -15.017 6.365 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.711 -13.859 7.871 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.674 -12.927 8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.020 -14.174 9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.690 -15.850 9.313 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.215 -16.229 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.569 -16.650 8.186 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.350 -14.269 9.043 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.506 -15.750 8.550 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.154 -14.484 7.350 1.00 0.00 H new ATOM 187 N THR A 13 -4.522 -15.170 5.316 1.00 0.00 N ATOM 188 CA THR A 13 -5.440 -15.960 4.513 1.00 0.00 C ATOM 189 C THR A 13 -4.736 -16.484 3.260 1.00 0.00 C ATOM 190 O THR A 13 -5.003 -17.599 2.814 1.00 0.00 O ATOM 191 CB THR A 13 -6.664 -15.095 4.206 1.00 0.00 C ATOM 192 OG1 THR A 13 -6.114 -13.887 3.688 1.00 0.00 O ATOM 193 CG2 THR A 13 -7.403 -14.656 5.471 1.00 0.00 C ATOM 0 H THR A 13 -4.931 -14.334 5.734 1.00 0.00 H new ATOM 0 HA THR A 13 -5.777 -16.845 5.052 1.00 0.00 H new ATOM 0 HB THR A 13 -7.347 -15.648 3.561 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.166 -13.829 3.929 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.263 -14.045 5.197 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.743 -15.536 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.731 -14.074 6.102 1.00 0.00 H new ATOM 201 N MET A 14 -3.851 -15.655 2.727 1.00 0.00 N ATOM 202 CA MET A 14 -3.107 -16.021 1.533 1.00 0.00 C ATOM 203 C MET A 14 -1.920 -16.921 1.882 1.00 0.00 C ATOM 204 O MET A 14 -1.690 -17.934 1.224 1.00 0.00 O ATOM 205 CB MET A 14 -2.601 -14.755 0.838 1.00 0.00 C ATOM 206 CG MET A 14 -2.684 -14.895 -0.683 1.00 0.00 C ATOM 207 SD MET A 14 -1.981 -13.454 -1.467 1.00 0.00 S ATOM 208 CE MET A 14 -0.243 -13.806 -1.261 1.00 0.00 C ATOM 0 H MET A 14 -3.632 -14.731 3.100 1.00 0.00 H new ATOM 0 HA MET A 14 -3.772 -16.570 0.867 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.192 -13.898 1.161 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.570 -14.561 1.133 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.151 -15.790 -1.004 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.723 -15.016 -0.989 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.233 -12.986 -0.724 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.123 -14.729 -0.693 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.224 -13.919 -2.239 1.00 0.00 H new ATOM 218 N ALA A 15 -1.197 -16.519 2.917 1.00 0.00 N ATOM 219 CA ALA A 15 -0.039 -17.276 3.361 1.00 0.00 C ATOM 220 C ALA A 15 -0.463 -18.714 3.669 1.00 0.00 C ATOM 221 O ALA A 15 0.308 -19.650 3.461 1.00 0.00 O ATOM 222 CB ALA A 15 0.591 -16.583 4.571 1.00 0.00 C ATOM 0 H ALA A 15 -1.391 -15.678 3.461 1.00 0.00 H new ATOM 0 HA ALA A 15 0.717 -17.315 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.460 -17.151 4.904 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.901 -15.576 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.138 -16.528 5.379 1.00 0.00 H new ATOM 228 N ILE A 16 -1.687 -18.844 4.158 1.00 0.00 N ATOM 229 CA ILE A 16 -2.223 -20.152 4.496 1.00 0.00 C ATOM 230 C ILE A 16 -2.657 -20.867 3.214 1.00 0.00 C ATOM 231 O ILE A 16 -2.271 -22.011 2.977 1.00 0.00 O ATOM 232 CB ILE A 16 -3.338 -20.022 5.535 1.00 0.00 C ATOM 233 CG1 ILE A 16 -2.817 -19.377 6.821 1.00 0.00 C ATOM 234 CG2 ILE A 16 -4.000 -21.376 5.801 1.00 0.00 C ATOM 235 CD1 ILE A 16 -1.605 -20.136 7.363 1.00 0.00 C ATOM 0 H ILE A 16 -2.323 -18.065 4.328 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.455 -20.770 4.962 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.105 -19.362 5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.544 -18.340 6.627 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.607 -19.364 7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.789 -21.256 6.543 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.428 -21.760 4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.255 -22.078 6.174 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.255 -19.657 8.277 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.888 -21.166 7.579 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.808 -20.127 6.620 1.00 0.00 H new ATOM 247 N LEU A 17 -3.453 -20.164 2.423 1.00 0.00 N ATOM 248 CA LEU A 17 -3.943 -20.717 1.172 1.00 0.00 C ATOM 249 C LEU A 17 -2.754 -21.127 0.300 1.00 0.00 C ATOM 250 O LEU A 17 -2.790 -22.167 -0.356 1.00 0.00 O ATOM 251 CB LEU A 17 -4.897 -19.735 0.489 1.00 0.00 C ATOM 252 CG LEU A 17 -6.381 -19.900 0.823 1.00 0.00 C ATOM 253 CD1 LEU A 17 -6.920 -21.227 0.284 1.00 0.00 C ATOM 254 CD2 LEU A 17 -6.625 -19.751 2.326 1.00 0.00 C ATOM 0 H LEU A 17 -3.771 -19.216 2.624 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.529 -21.618 1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.596 -18.722 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.775 -19.831 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.933 -19.102 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.977 -21.319 0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.800 -21.255 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.367 -22.053 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.688 -19.873 2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.059 -20.512 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.302 -18.762 2.651 1.00 0.00 H new ATOM 266 N GLN A 18 -1.729 -20.287 0.320 1.00 0.00 N ATOM 267 CA GLN A 18 -0.532 -20.549 -0.461 1.00 0.00 C ATOM 268 C GLN A 18 -0.074 -21.995 -0.262 1.00 0.00 C ATOM 269 O GLN A 18 0.544 -22.581 -1.149 1.00 0.00 O ATOM 270 CB GLN A 18 0.583 -19.566 -0.100 1.00 0.00 C ATOM 271 CG GLN A 18 1.445 -20.109 1.041 1.00 0.00 C ATOM 272 CD GLN A 18 2.662 -20.863 0.499 1.00 0.00 C ATOM 273 OE1 GLN A 18 2.798 -21.100 -0.690 1.00 0.00 O ATOM 274 NE2 GLN A 18 3.535 -21.224 1.434 1.00 0.00 N ATOM 0 H GLN A 18 -1.703 -19.425 0.865 1.00 0.00 H new ATOM 0 HA GLN A 18 -0.771 -20.406 -1.515 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.206 -19.380 -0.975 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.149 -18.609 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.775 -19.286 1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.850 -20.774 1.666 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.359 -20.993 2.412 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.381 -21.732 1.174 1.00 0.00 H new ATOM 283 N SER A 19 -0.395 -22.528 0.908 1.00 0.00 N ATOM 284 CA SER A 19 -0.025 -23.894 1.234 1.00 0.00 C ATOM 285 C SER A 19 -1.280 -24.730 1.493 1.00 0.00 C ATOM 286 O SER A 19 -1.623 -25.003 2.642 1.00 0.00 O ATOM 287 CB SER A 19 0.902 -23.938 2.451 1.00 0.00 C ATOM 288 OG SER A 19 0.493 -23.024 3.466 1.00 0.00 O ATOM 0 H SER A 19 -0.907 -22.038 1.642 1.00 0.00 H new ATOM 0 HA SER A 19 0.514 -24.314 0.384 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.918 -24.949 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.920 -23.703 2.140 1.00 0.00 H new ATOM 0 HG SER A 19 -0.463 -22.833 3.368 1.00 0.00 H new ATOM 294 N PRO A 20 -1.949 -25.122 0.376 1.00 0.00 N ATOM 295 CA PRO A 20 -3.160 -25.921 0.470 1.00 0.00 C ATOM 296 C PRO A 20 -2.832 -27.373 0.826 1.00 0.00 C ATOM 297 O PRO A 20 -3.734 -28.187 1.018 1.00 0.00 O ATOM 298 CB PRO A 20 -3.832 -25.779 -0.886 1.00 0.00 C ATOM 299 CG PRO A 20 -2.751 -25.291 -1.837 1.00 0.00 C ATOM 300 CD PRO A 20 -1.573 -24.817 -1.002 1.00 0.00 C ATOM 0 HA PRO A 20 -3.825 -25.585 1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.245 -26.731 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.660 -25.072 -0.840 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.444 -26.092 -2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.128 -24.480 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.655 -25.331 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.396 -23.750 -1.137 1.00 0.00 H new ATOM 308 N GLN A 21 -1.539 -27.652 0.903 1.00 0.00 N ATOM 309 CA GLN A 21 -1.082 -28.991 1.232 1.00 0.00 C ATOM 310 C GLN A 21 -1.358 -29.300 2.705 1.00 0.00 C ATOM 311 O GLN A 21 -2.435 -29.785 3.049 1.00 0.00 O ATOM 312 CB GLN A 21 0.404 -29.159 0.907 1.00 0.00 C ATOM 313 CG GLN A 21 0.596 -29.932 -0.399 1.00 0.00 C ATOM 314 CD GLN A 21 1.573 -29.208 -1.327 1.00 0.00 C ATOM 315 OE1 GLN A 21 1.383 -28.061 -1.698 1.00 0.00 O ATOM 316 NE2 GLN A 21 2.626 -29.940 -1.681 1.00 0.00 N ATOM 0 H GLN A 21 -0.794 -26.974 0.743 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.637 -29.703 0.621 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.875 -28.179 0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.901 -29.686 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.969 -30.933 -0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.365 -30.052 -0.899 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.724 -30.894 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.336 -29.547 -2.299 1.00 0.00 H new ATOM 325 N LYS A 22 -0.368 -29.006 3.534 1.00 0.00 N ATOM 326 CA LYS A 22 -0.491 -29.246 4.962 1.00 0.00 C ATOM 327 C LYS A 22 0.853 -28.972 5.639 1.00 0.00 C ATOM 328 O LYS A 22 1.554 -29.903 6.033 1.00 0.00 O ATOM 329 CB LYS A 22 -1.037 -30.651 5.224 1.00 0.00 C ATOM 330 CG LYS A 22 -1.155 -30.922 6.725 1.00 0.00 C ATOM 331 CD LYS A 22 -2.612 -31.165 7.125 1.00 0.00 C ATOM 332 CE LYS A 22 -2.827 -32.617 7.558 1.00 0.00 C ATOM 333 NZ LYS A 22 -2.489 -33.542 6.453 1.00 0.00 N ATOM 0 H LYS A 22 0.523 -28.604 3.244 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.215 -28.561 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.014 -30.759 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.380 -31.391 4.768 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.552 -31.790 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.757 -30.075 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.886 -30.495 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.267 -30.931 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.209 -32.839 8.428 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.864 -32.763 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -2.943 -34.463 6.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.828 -33.146 5.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.458 -33.668 6.409 1.00 0.00 H new ATOM 347 N LYS A 23 1.173 -27.691 5.752 1.00 0.00 N ATOM 348 CA LYS A 23 2.421 -27.284 6.374 1.00 0.00 C ATOM 349 C LYS A 23 2.492 -25.756 6.411 1.00 0.00 C ATOM 350 O LYS A 23 1.915 -25.083 5.558 1.00 0.00 O ATOM 351 CB LYS A 23 3.610 -27.938 5.668 1.00 0.00 C ATOM 352 CG LYS A 23 3.742 -27.430 4.231 1.00 0.00 C ATOM 353 CD LYS A 23 5.134 -26.846 3.981 1.00 0.00 C ATOM 354 CE LYS A 23 5.661 -27.254 2.604 1.00 0.00 C ATOM 355 NZ LYS A 23 6.964 -26.607 2.335 1.00 0.00 N ATOM 0 H LYS A 23 0.589 -26.922 5.423 1.00 0.00 H new ATOM 0 HA LYS A 23 2.463 -27.631 7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.526 -27.725 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.485 -29.021 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.556 -28.247 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.985 -26.670 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.094 -25.759 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.821 -27.191 4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.770 -28.338 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.942 -26.971 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.307 -26.895 1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.850 -25.574 2.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.652 -26.897 3.059 1.00 0.00 H new ATOM 369 N LEU A 24 3.204 -25.252 7.409 1.00 0.00 N ATOM 370 CA LEU A 24 3.358 -23.816 7.568 1.00 0.00 C ATOM 371 C LEU A 24 4.714 -23.521 8.212 1.00 0.00 C ATOM 372 O LEU A 24 5.439 -24.441 8.588 1.00 0.00 O ATOM 373 CB LEU A 24 2.171 -23.232 8.338 1.00 0.00 C ATOM 374 CG LEU A 24 1.181 -22.405 7.517 1.00 0.00 C ATOM 375 CD1 LEU A 24 1.902 -21.307 6.732 1.00 0.00 C ATOM 376 CD2 LEU A 24 0.339 -23.302 6.607 1.00 0.00 C ATOM 0 H LEU A 24 3.680 -25.813 8.115 1.00 0.00 H new ATOM 0 HA LEU A 24 3.352 -23.322 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.628 -24.053 8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.558 -22.606 9.142 1.00 0.00 H new ATOM 0 HG LEU A 24 0.495 -21.911 8.205 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.175 -20.734 6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.420 -20.644 7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.625 -21.760 6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.357 -22.689 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.993 -23.843 5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.220 -24.014 7.214 1.00 0.00 H new ATOM 388 N THR A 25 5.015 -22.236 8.320 1.00 0.00 N ATOM 389 CA THR A 25 6.271 -21.808 8.912 1.00 0.00 C ATOM 390 C THR A 25 6.371 -20.281 8.905 1.00 0.00 C ATOM 391 O THR A 25 6.518 -19.670 7.848 1.00 0.00 O ATOM 392 CB THR A 25 7.409 -22.495 8.154 1.00 0.00 C ATOM 393 OG1 THR A 25 8.560 -21.721 8.479 1.00 0.00 O ATOM 394 CG2 THR A 25 7.276 -22.346 6.637 1.00 0.00 C ATOM 0 H THR A 25 4.410 -21.476 8.007 1.00 0.00 H new ATOM 0 HA THR A 25 6.335 -22.102 9.960 1.00 0.00 H new ATOM 0 HB THR A 25 7.431 -23.553 8.414 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.142 -22.236 9.076 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.108 -22.851 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.337 -22.792 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.288 -21.289 6.373 1.00 0.00 H new ATOM 402 N LEU A 26 6.288 -19.710 10.098 1.00 0.00 N ATOM 403 CA LEU A 26 6.367 -18.266 10.243 1.00 0.00 C ATOM 404 C LEU A 26 7.596 -17.750 9.493 1.00 0.00 C ATOM 405 O LEU A 26 7.495 -16.820 8.694 1.00 0.00 O ATOM 406 CB LEU A 26 6.340 -17.874 11.722 1.00 0.00 C ATOM 407 CG LEU A 26 6.074 -16.397 12.019 1.00 0.00 C ATOM 408 CD1 LEU A 26 7.363 -15.578 11.924 1.00 0.00 C ATOM 409 CD2 LEU A 26 4.975 -15.844 11.110 1.00 0.00 C ATOM 0 H LEU A 26 6.167 -20.221 10.973 1.00 0.00 H new ATOM 0 HA LEU A 26 5.495 -17.789 9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.575 -18.468 12.221 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.297 -18.147 12.168 1.00 0.00 H new ATOM 0 HG LEU A 26 5.715 -16.314 13.045 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.146 -14.532 12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.087 -15.955 12.646 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.775 -15.663 10.919 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.806 -14.793 11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.281 -15.941 10.068 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.054 -16.404 11.271 1.00 0.00 H new ATOM 421 N SER A 27 8.730 -18.375 9.776 1.00 0.00 N ATOM 422 CA SER A 27 9.977 -17.990 9.137 1.00 0.00 C ATOM 423 C SER A 27 9.786 -17.910 7.621 1.00 0.00 C ATOM 424 O SER A 27 10.162 -16.920 6.996 1.00 0.00 O ATOM 425 CB SER A 27 11.097 -18.974 9.480 1.00 0.00 C ATOM 426 OG SER A 27 11.504 -18.867 10.841 1.00 0.00 O ATOM 0 H SER A 27 8.811 -19.146 10.439 1.00 0.00 H new ATOM 0 HA SER A 27 10.265 -17.008 9.512 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.759 -19.991 9.282 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.953 -18.790 8.830 1.00 0.00 H new ATOM 0 HG SER A 27 12.371 -18.413 10.888 1.00 0.00 H new ATOM 432 N GLY A 28 9.201 -18.966 7.074 1.00 0.00 N ATOM 433 CA GLY A 28 8.956 -19.027 5.643 1.00 0.00 C ATOM 434 C GLY A 28 7.884 -18.018 5.227 1.00 0.00 C ATOM 435 O GLY A 28 7.993 -17.390 4.175 1.00 0.00 O ATOM 0 H GLY A 28 8.890 -19.785 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.881 -18.824 5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.640 -20.033 5.367 1.00 0.00 H new ATOM 439 N ILE A 29 6.873 -17.893 6.074 1.00 0.00 N ATOM 440 CA ILE A 29 5.783 -16.971 5.807 1.00 0.00 C ATOM 441 C ILE A 29 6.338 -15.550 5.696 1.00 0.00 C ATOM 442 O ILE A 29 6.247 -14.925 4.640 1.00 0.00 O ATOM 443 CB ILE A 29 4.684 -17.120 6.862 1.00 0.00 C ATOM 444 CG1 ILE A 29 3.624 -18.126 6.410 1.00 0.00 C ATOM 445 CG2 ILE A 29 4.073 -15.763 7.214 1.00 0.00 C ATOM 446 CD1 ILE A 29 4.271 -19.429 5.934 1.00 0.00 C ATOM 0 H ILE A 29 6.786 -18.415 6.946 1.00 0.00 H new ATOM 0 HA ILE A 29 5.312 -17.206 4.853 1.00 0.00 H new ATOM 0 HB ILE A 29 5.136 -17.514 7.772 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.941 -18.335 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.029 -17.696 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.295 -15.898 7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.848 -15.106 7.608 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.639 -15.316 6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.495 -20.126 5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.935 -19.220 5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.845 -19.869 6.749 1.00 0.00 H new ATOM 458 N CYS A 30 6.901 -15.080 6.799 1.00 0.00 N ATOM 459 CA CYS A 30 7.471 -13.744 6.839 1.00 0.00 C ATOM 460 C CYS A 30 8.376 -13.572 5.617 1.00 0.00 C ATOM 461 O CYS A 30 8.375 -12.517 4.984 1.00 0.00 O ATOM 462 CB CYS A 30 8.223 -13.488 8.146 1.00 0.00 C ATOM 463 SG CYS A 30 9.099 -11.884 8.061 1.00 0.00 S ATOM 0 H CYS A 30 6.975 -15.601 7.673 1.00 0.00 H new ATOM 0 HA CYS A 30 6.672 -13.004 6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.524 -13.486 8.983 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.936 -14.292 8.328 1.00 0.00 H new ATOM 0 HG CYS A 30 8.258 -10.947 7.738 1.00 0.00 H new ATOM 469 N GLU A 31 9.125 -14.624 5.322 1.00 0.00 N ATOM 470 CA GLU A 31 10.033 -14.602 4.188 1.00 0.00 C ATOM 471 C GLU A 31 9.254 -14.375 2.890 1.00 0.00 C ATOM 472 O GLU A 31 9.732 -13.689 1.987 1.00 0.00 O ATOM 473 CB GLU A 31 10.853 -15.891 4.116 1.00 0.00 C ATOM 474 CG GLU A 31 11.840 -15.849 2.949 1.00 0.00 C ATOM 475 CD GLU A 31 13.285 -15.825 3.453 1.00 0.00 C ATOM 476 OE1 GLU A 31 13.594 -14.907 4.243 1.00 0.00 O ATOM 477 OE2 GLU A 31 14.046 -16.724 3.036 1.00 0.00 O ATOM 0 H GLU A 31 9.122 -15.497 5.849 1.00 0.00 H new ATOM 0 HA GLU A 31 10.730 -13.775 4.322 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.395 -16.034 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.185 -16.745 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.689 -16.718 2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.649 -14.966 2.338 1.00 0.00 H new ATOM 484 N PHE A 32 8.068 -14.963 2.838 1.00 0.00 N ATOM 485 CA PHE A 32 7.219 -14.833 1.666 1.00 0.00 C ATOM 486 C PHE A 32 6.442 -13.516 1.695 1.00 0.00 C ATOM 487 O PHE A 32 5.956 -13.054 0.664 1.00 0.00 O ATOM 488 CB PHE A 32 6.227 -15.997 1.701 1.00 0.00 C ATOM 489 CG PHE A 32 4.761 -15.569 1.612 1.00 0.00 C ATOM 490 CD1 PHE A 32 4.213 -15.267 0.405 1.00 0.00 C ATOM 491 CD2 PHE A 32 4.006 -15.490 2.741 1.00 0.00 C ATOM 492 CE1 PHE A 32 2.853 -14.869 0.322 1.00 0.00 C ATOM 493 CE2 PHE A 32 2.645 -15.092 2.658 1.00 0.00 C ATOM 494 CZ PHE A 32 2.098 -14.790 1.450 1.00 0.00 C ATOM 0 H PHE A 32 7.675 -15.531 3.589 1.00 0.00 H new ATOM 0 HA PHE A 32 7.828 -14.844 0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.448 -16.674 0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.375 -16.559 2.623 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.813 -15.330 -0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.441 -15.730 3.700 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.418 -14.629 -0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.045 -15.029 3.554 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.063 -14.487 1.387 1.00 0.00 H new ATOM 504 N ILE A 33 6.349 -12.947 2.888 1.00 0.00 N ATOM 505 CA ILE A 33 5.639 -11.691 3.065 1.00 0.00 C ATOM 506 C ILE A 33 6.485 -10.548 2.501 1.00 0.00 C ATOM 507 O ILE A 33 5.959 -9.636 1.866 1.00 0.00 O ATOM 508 CB ILE A 33 5.246 -11.500 4.531 1.00 0.00 C ATOM 509 CG1 ILE A 33 4.320 -12.623 5.002 1.00 0.00 C ATOM 510 CG2 ILE A 33 4.632 -10.117 4.758 1.00 0.00 C ATOM 511 CD1 ILE A 33 2.867 -12.332 4.622 1.00 0.00 C ATOM 0 H ILE A 33 6.753 -13.332 3.741 1.00 0.00 H new ATOM 0 HA ILE A 33 4.703 -11.700 2.507 1.00 0.00 H new ATOM 0 HB ILE A 33 6.151 -11.554 5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.633 -13.568 4.558 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.401 -12.737 6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.361 -10.007 5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.356 -9.349 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.740 -10.009 4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.230 -13.146 4.969 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.549 -11.399 5.087 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.785 -12.243 3.539 1.00 0.00 H new ATOM 523 N SER A 34 7.783 -10.634 2.754 1.00 0.00 N ATOM 524 CA SER A 34 8.707 -9.618 2.280 1.00 0.00 C ATOM 525 C SER A 34 8.866 -9.723 0.761 1.00 0.00 C ATOM 526 O SER A 34 8.824 -8.715 0.058 1.00 0.00 O ATOM 527 CB SER A 34 10.069 -9.749 2.965 1.00 0.00 C ATOM 528 OG SER A 34 11.038 -8.870 2.400 1.00 0.00 O ATOM 0 H SER A 34 8.216 -11.392 3.281 1.00 0.00 H new ATOM 0 HA SER A 34 8.297 -8.640 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.962 -9.535 4.028 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.420 -10.778 2.881 1.00 0.00 H new ATOM 0 HG SER A 34 11.938 -9.188 2.623 1.00 0.00 H new ATOM 534 N ASN A 35 9.043 -10.952 0.300 1.00 0.00 N ATOM 535 CA ASN A 35 9.208 -11.202 -1.122 1.00 0.00 C ATOM 536 C ASN A 35 8.074 -10.519 -1.889 1.00 0.00 C ATOM 537 O ASN A 35 8.304 -9.916 -2.937 1.00 0.00 O ATOM 538 CB ASN A 35 9.151 -12.700 -1.428 1.00 0.00 C ATOM 539 CG ASN A 35 10.551 -13.260 -1.690 1.00 0.00 C ATOM 540 OD1 ASN A 35 11.104 -13.138 -2.770 1.00 0.00 O ATOM 541 ND2 ASN A 35 11.090 -13.878 -0.643 1.00 0.00 N ATOM 0 H ASN A 35 9.076 -11.786 0.886 1.00 0.00 H new ATOM 0 HA ASN A 35 10.179 -10.809 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.695 -13.229 -0.591 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.517 -12.873 -2.298 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.022 -14.286 -0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.571 -13.944 0.233 1.00 0.00 H new ATOM 548 N ARG A 36 6.875 -10.635 -1.339 1.00 0.00 N ATOM 549 CA ARG A 36 5.705 -10.037 -1.959 1.00 0.00 C ATOM 550 C ARG A 36 5.699 -8.524 -1.730 1.00 0.00 C ATOM 551 O ARG A 36 5.456 -7.753 -2.657 1.00 0.00 O ATOM 552 CB ARG A 36 4.416 -10.636 -1.395 1.00 0.00 C ATOM 553 CG ARG A 36 4.313 -12.126 -1.726 1.00 0.00 C ATOM 554 CD ARG A 36 3.822 -12.337 -3.160 1.00 0.00 C ATOM 555 NE ARG A 36 4.969 -12.624 -4.050 1.00 0.00 N ATOM 556 CZ ARG A 36 4.947 -12.463 -5.380 1.00 0.00 C ATOM 557 NH1 ARG A 36 3.836 -12.015 -5.982 1.00 0.00 N ATOM 558 NH2 ARG A 36 6.034 -12.749 -6.108 1.00 0.00 N ATOM 0 H ARG A 36 6.688 -11.135 -0.470 1.00 0.00 H new ATOM 0 HA ARG A 36 5.752 -10.247 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.389 -10.497 -0.314 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.555 -10.108 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.287 -12.599 -1.598 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.629 -12.611 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 36 3.111 -13.162 -3.192 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.295 -11.448 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 36 5.830 -12.966 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.008 -11.797 -5.428 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.819 -11.892 -6.994 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.879 -13.090 -5.650 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.017 -12.626 -7.120 1.00 0.00 H new ATOM 572 N PHE A 37 5.970 -8.144 -0.490 1.00 0.00 N ATOM 573 CA PHE A 37 5.999 -6.737 -0.127 1.00 0.00 C ATOM 574 C PHE A 37 7.327 -6.369 0.538 1.00 0.00 C ATOM 575 O PHE A 37 7.569 -6.729 1.690 1.00 0.00 O ATOM 576 CB PHE A 37 4.862 -6.509 0.870 1.00 0.00 C ATOM 577 CG PHE A 37 3.566 -7.240 0.514 1.00 0.00 C ATOM 578 CD1 PHE A 37 2.911 -6.942 -0.640 1.00 0.00 C ATOM 579 CD2 PHE A 37 3.068 -8.189 1.352 1.00 0.00 C ATOM 580 CE1 PHE A 37 1.709 -7.621 -0.971 1.00 0.00 C ATOM 581 CE2 PHE A 37 1.866 -8.868 1.022 1.00 0.00 C ATOM 582 CZ PHE A 37 1.211 -8.569 -0.133 1.00 0.00 C ATOM 0 H PHE A 37 6.172 -8.786 0.276 1.00 0.00 H new ATOM 0 HA PHE A 37 5.888 -6.120 -1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.189 -6.832 1.858 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.658 -5.440 0.935 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.306 -6.188 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.587 -8.426 2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.190 -7.385 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.471 -9.622 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.296 -9.085 -0.384 1.00 0.00 H new ATOM 592 N PRO A 38 8.174 -5.638 -0.234 1.00 0.00 N ATOM 593 CA PRO A 38 9.471 -5.218 0.269 1.00 0.00 C ATOM 594 C PRO A 38 9.326 -4.064 1.263 1.00 0.00 C ATOM 595 O PRO A 38 9.914 -4.092 2.343 1.00 0.00 O ATOM 596 CB PRO A 38 10.269 -4.840 -0.968 1.00 0.00 C ATOM 597 CG PRO A 38 9.247 -4.619 -2.072 1.00 0.00 C ATOM 598 CD PRO A 38 7.921 -5.194 -1.602 1.00 0.00 C ATOM 0 HA PRO A 38 9.979 -6.003 0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.856 -3.939 -0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.970 -5.630 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.146 -3.556 -2.291 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.569 -5.105 -2.993 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.130 -4.445 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.602 -6.022 -2.235 1.00 0.00 H new ATOM 606 N TYR A 39 8.540 -3.075 0.862 1.00 0.00 N ATOM 607 CA TYR A 39 8.310 -1.914 1.704 1.00 0.00 C ATOM 608 C TYR A 39 7.892 -2.333 3.114 1.00 0.00 C ATOM 609 O TYR A 39 8.285 -1.704 4.095 1.00 0.00 O ATOM 610 CB TYR A 39 7.161 -1.141 1.052 1.00 0.00 C ATOM 611 CG TYR A 39 6.438 -0.184 2.001 1.00 0.00 C ATOM 612 CD1 TYR A 39 5.375 -0.635 2.757 1.00 0.00 C ATOM 613 CD2 TYR A 39 6.848 1.130 2.101 1.00 0.00 C ATOM 614 CE1 TYR A 39 4.694 0.266 3.651 1.00 0.00 C ATOM 615 CE2 TYR A 39 6.167 2.031 2.995 1.00 0.00 C ATOM 616 CZ TYR A 39 5.123 1.554 3.725 1.00 0.00 C ATOM 617 OH TYR A 39 4.480 2.405 4.569 1.00 0.00 O ATOM 0 H TYR A 39 8.055 -3.054 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 39 9.218 -1.318 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.552 -0.573 0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 39 6.439 -1.853 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.054 -1.663 2.678 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.680 1.483 1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.861 -0.074 4.249 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.478 3.061 3.084 1.00 0.00 H new ATOM 0 HH TYR A 39 4.895 3.291 4.519 1.00 0.00 H new ATOM 627 N TYR A 40 7.099 -3.393 3.171 1.00 0.00 N ATOM 628 CA TYR A 40 6.623 -3.904 4.445 1.00 0.00 C ATOM 629 C TYR A 40 7.785 -4.414 5.300 1.00 0.00 C ATOM 630 O TYR A 40 7.811 -4.197 6.511 1.00 0.00 O ATOM 631 CB TYR A 40 5.698 -5.076 4.111 1.00 0.00 C ATOM 632 CG TYR A 40 4.274 -4.918 4.648 1.00 0.00 C ATOM 633 CD1 TYR A 40 3.467 -3.904 4.175 1.00 0.00 C ATOM 634 CD2 TYR A 40 3.797 -5.790 5.605 1.00 0.00 C ATOM 635 CE1 TYR A 40 2.127 -3.755 4.680 1.00 0.00 C ATOM 636 CE2 TYR A 40 2.457 -5.642 6.110 1.00 0.00 C ATOM 637 CZ TYR A 40 1.688 -4.632 5.623 1.00 0.00 C ATOM 638 OH TYR A 40 0.422 -4.491 6.100 1.00 0.00 O ATOM 0 H TYR A 40 6.774 -3.912 2.355 1.00 0.00 H new ATOM 0 HA TYR A 40 6.117 -3.120 5.008 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.656 -5.195 3.028 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.128 -5.992 4.516 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.841 -3.222 3.426 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.429 -6.584 5.975 1.00 0.00 H new ATOM 0 HE1 TYR A 40 1.485 -2.965 4.319 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.071 -6.318 6.859 1.00 0.00 H new ATOM 0 HH TYR A 40 0.244 -5.187 6.767 1.00 0.00 H new ATOM 648 N ARG A 41 8.717 -5.081 4.637 1.00 0.00 N ATOM 649 CA ARG A 41 9.879 -5.624 5.321 1.00 0.00 C ATOM 650 C ARG A 41 10.921 -4.527 5.548 1.00 0.00 C ATOM 651 O ARG A 41 11.807 -4.673 6.389 1.00 0.00 O ATOM 652 CB ARG A 41 10.511 -6.761 4.515 1.00 0.00 C ATOM 653 CG ARG A 41 11.578 -7.487 5.337 1.00 0.00 C ATOM 654 CD ARG A 41 12.975 -7.236 4.765 1.00 0.00 C ATOM 655 NE ARG A 41 14.004 -7.678 5.732 1.00 0.00 N ATOM 656 CZ ARG A 41 14.494 -6.907 6.713 1.00 0.00 C ATOM 657 NH1 ARG A 41 14.052 -5.652 6.862 1.00 0.00 N ATOM 658 NH2 ARG A 41 15.427 -7.393 7.544 1.00 0.00 N ATOM 0 H ARG A 41 8.692 -5.258 3.633 1.00 0.00 H new ATOM 0 HA ARG A 41 9.546 -6.017 6.281 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.739 -7.467 4.209 1.00 0.00 H new ATOM 0 HB3 ARG A 41 10.957 -6.362 3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 41 11.538 -7.147 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.371 -8.557 5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.094 -7.773 3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.102 -6.176 4.545 1.00 0.00 H new ATOM 0 HE ARG A 41 14.363 -8.629 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.342 -5.283 6.229 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.425 -5.065 7.608 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.764 -8.349 7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 41 15.800 -6.807 8.291 1.00 0.00 H new ATOM 672 N GLU A 42 10.780 -3.454 4.784 1.00 0.00 N ATOM 673 CA GLU A 42 11.699 -2.334 4.891 1.00 0.00 C ATOM 674 C GLU A 42 11.443 -1.559 6.186 1.00 0.00 C ATOM 675 O GLU A 42 12.370 -1.295 6.950 1.00 0.00 O ATOM 676 CB GLU A 42 11.589 -1.416 3.672 1.00 0.00 C ATOM 677 CG GLU A 42 12.735 -0.402 3.644 1.00 0.00 C ATOM 678 CD GLU A 42 12.199 1.031 3.616 1.00 0.00 C ATOM 679 OE1 GLU A 42 11.405 1.358 4.525 1.00 0.00 O ATOM 680 OE2 GLU A 42 12.594 1.767 2.687 1.00 0.00 O ATOM 0 H GLU A 42 10.043 -3.337 4.088 1.00 0.00 H new ATOM 0 HA GLU A 42 12.716 -2.725 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.604 -2.013 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.634 -0.891 3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.369 -0.540 4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.359 -0.578 2.768 1.00 0.00 H new ATOM 687 N LYS A 43 10.180 -1.216 6.392 1.00 0.00 N ATOM 688 CA LYS A 43 9.790 -0.477 7.581 1.00 0.00 C ATOM 689 C LYS A 43 9.714 -1.437 8.771 1.00 0.00 C ATOM 690 O LYS A 43 10.275 -1.162 9.831 1.00 0.00 O ATOM 691 CB LYS A 43 8.493 0.295 7.331 1.00 0.00 C ATOM 692 CG LYS A 43 8.342 1.450 8.322 1.00 0.00 C ATOM 693 CD LYS A 43 7.409 2.529 7.769 1.00 0.00 C ATOM 694 CE LYS A 43 8.198 3.769 7.342 1.00 0.00 C ATOM 695 NZ LYS A 43 7.292 4.927 7.174 1.00 0.00 N ATOM 0 H LYS A 43 9.414 -1.436 5.756 1.00 0.00 H new ATOM 0 HA LYS A 43 10.540 0.275 7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.487 0.682 6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.641 -0.379 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.949 1.074 9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.320 1.883 8.533 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.855 2.134 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.675 2.803 8.527 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.957 3.999 8.089 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.721 3.570 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.843 5.760 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.583 4.710 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.812 5.126 8.075 1.00 0.00 H new ATOM 709 N PHE A 44 9.016 -2.542 8.555 1.00 0.00 N ATOM 710 CA PHE A 44 8.861 -3.543 9.597 1.00 0.00 C ATOM 711 C PHE A 44 8.567 -2.888 10.948 1.00 0.00 C ATOM 712 O PHE A 44 9.429 -2.850 11.824 1.00 0.00 O ATOM 713 CB PHE A 44 10.186 -4.303 9.689 1.00 0.00 C ATOM 714 CG PHE A 44 10.074 -5.668 10.371 1.00 0.00 C ATOM 715 CD1 PHE A 44 9.973 -5.746 11.725 1.00 0.00 C ATOM 716 CD2 PHE A 44 10.076 -6.804 9.623 1.00 0.00 C ATOM 717 CE1 PHE A 44 9.869 -7.013 12.357 1.00 0.00 C ATOM 718 CE2 PHE A 44 9.973 -8.071 10.255 1.00 0.00 C ATOM 719 CZ PHE A 44 9.872 -8.149 11.609 1.00 0.00 C ATOM 0 H PHE A 44 8.552 -2.766 7.675 1.00 0.00 H new ATOM 0 HA PHE A 44 8.029 -4.204 9.356 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.584 -4.442 8.684 1.00 0.00 H new ATOM 0 HB3 PHE A 44 10.906 -3.693 10.235 1.00 0.00 H new ATOM 0 HD1 PHE A 44 9.972 -4.844 12.319 1.00 0.00 H new ATOM 0 HD2 PHE A 44 10.156 -6.742 8.548 1.00 0.00 H new ATOM 0 HE1 PHE A 44 9.787 -7.075 13.432 1.00 0.00 H new ATOM 0 HE2 PHE A 44 9.975 -8.973 9.661 1.00 0.00 H new ATOM 0 HZ PHE A 44 9.794 -9.113 12.090 1.00 0.00 H new ATOM 729 N PRO A 45 7.314 -2.376 11.077 1.00 0.00 N ATOM 730 CA PRO A 45 6.895 -1.724 12.307 1.00 0.00 C ATOM 731 C PRO A 45 6.626 -2.752 13.408 1.00 0.00 C ATOM 732 O PRO A 45 5.706 -2.584 14.207 1.00 0.00 O ATOM 733 CB PRO A 45 5.660 -0.923 11.927 1.00 0.00 C ATOM 734 CG PRO A 45 5.163 -1.519 10.620 1.00 0.00 C ATOM 735 CD PRO A 45 6.266 -2.402 10.061 1.00 0.00 C ATOM 0 HA PRO A 45 7.664 -1.072 12.721 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.897 -0.991 12.702 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.901 0.133 11.808 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.256 -2.100 10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.910 -0.730 9.912 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.910 -3.417 9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.631 -2.023 9.106 1.00 0.00 H new ATOM 743 N ALA A 46 7.445 -3.793 13.415 1.00 0.00 N ATOM 744 CA ALA A 46 7.307 -4.848 14.404 1.00 0.00 C ATOM 745 C ALA A 46 6.014 -5.622 14.141 1.00 0.00 C ATOM 746 O ALA A 46 5.135 -5.679 14.998 1.00 0.00 O ATOM 747 CB ALA A 46 7.346 -4.239 15.808 1.00 0.00 C ATOM 0 H ALA A 46 8.207 -3.928 12.751 1.00 0.00 H new ATOM 0 HA ALA A 46 8.134 -5.554 14.331 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.242 -5.030 16.551 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.296 -3.725 15.955 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.527 -3.528 15.919 1.00 0.00 H new ATOM 753 N TRP A 47 5.940 -6.199 12.950 1.00 0.00 N ATOM 754 CA TRP A 47 4.769 -6.968 12.562 1.00 0.00 C ATOM 755 C TRP A 47 5.069 -8.446 12.816 1.00 0.00 C ATOM 756 O TRP A 47 4.522 -9.319 12.144 1.00 0.00 O ATOM 757 CB TRP A 47 4.378 -6.677 11.112 1.00 0.00 C ATOM 758 CG TRP A 47 5.534 -6.807 10.118 1.00 0.00 C ATOM 759 CD1 TRP A 47 6.562 -5.967 9.933 1.00 0.00 C ATOM 760 CD2 TRP A 47 5.740 -7.879 9.174 1.00 0.00 C ATOM 761 NE1 TRP A 47 7.411 -6.417 8.943 1.00 0.00 N ATOM 762 CE2 TRP A 47 6.896 -7.617 8.467 1.00 0.00 C ATOM 763 CE3 TRP A 47 4.975 -9.032 8.926 1.00 0.00 C ATOM 764 CZ2 TRP A 47 7.390 -8.461 7.465 1.00 0.00 C ATOM 765 CZ3 TRP A 47 5.482 -9.866 7.922 1.00 0.00 C ATOM 766 CH2 TRP A 47 6.644 -9.616 7.201 1.00 0.00 C ATOM 0 H TRP A 47 6.672 -6.149 12.241 1.00 0.00 H new ATOM 0 HA TRP A 47 3.903 -6.681 13.159 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.581 -7.359 10.818 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.972 -5.667 11.052 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.707 -5.053 10.489 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.261 -5.954 8.620 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.068 -9.257 9.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.297 -8.233 6.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.932 -10.766 7.692 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.970 -10.310 6.440 1.00 0.00 H new ATOM 777 N GLN A 48 5.938 -8.682 13.788 1.00 0.00 N ATOM 778 CA GLN A 48 6.318 -10.040 14.139 1.00 0.00 C ATOM 779 C GLN A 48 5.161 -10.748 14.847 1.00 0.00 C ATOM 780 O GLN A 48 4.554 -11.662 14.290 1.00 0.00 O ATOM 781 CB GLN A 48 7.579 -10.051 15.006 1.00 0.00 C ATOM 782 CG GLN A 48 7.624 -11.295 15.894 1.00 0.00 C ATOM 783 CD GLN A 48 7.802 -10.913 17.365 1.00 0.00 C ATOM 784 OE1 GLN A 48 6.851 -10.771 18.116 1.00 0.00 O ATOM 785 NE2 GLN A 48 9.071 -10.756 17.733 1.00 0.00 N ATOM 0 H GLN A 48 6.390 -7.956 14.344 1.00 0.00 H new ATOM 0 HA GLN A 48 6.544 -10.582 13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.463 -10.023 14.369 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.605 -9.156 15.627 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.704 -11.867 15.772 1.00 0.00 H new ATOM 0 HG3 GLN A 48 8.444 -11.940 15.580 1.00 0.00 H new ATOM 0 HE21 GLN A 48 9.819 -10.890 17.053 1.00 0.00 H new ATOM 0 HE22 GLN A 48 9.295 -10.501 18.695 1.00 0.00 H new ATOM 794 N ASN A 49 4.890 -10.300 16.064 1.00 0.00 N ATOM 795 CA ASN A 49 3.816 -10.879 16.853 1.00 0.00 C ATOM 796 C ASN A 49 2.470 -10.473 16.251 1.00 0.00 C ATOM 797 O ASN A 49 1.462 -11.145 16.465 1.00 0.00 O ATOM 798 CB ASN A 49 3.860 -10.374 18.297 1.00 0.00 C ATOM 799 CG ASN A 49 3.832 -8.845 18.344 1.00 0.00 C ATOM 800 OD1 ASN A 49 2.946 -8.198 17.812 1.00 0.00 O ATOM 801 ND2 ASN A 49 4.850 -8.306 19.010 1.00 0.00 N ATOM 0 H ASN A 49 5.396 -9.543 16.523 1.00 0.00 H new ATOM 0 HA ASN A 49 3.938 -11.962 16.845 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.011 -10.774 18.852 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.762 -10.740 18.787 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.922 -7.292 19.099 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.558 -8.906 19.432 1.00 0.00 H new ATOM 808 N SER A 50 2.496 -9.375 15.510 1.00 0.00 N ATOM 809 CA SER A 50 1.290 -8.871 14.876 1.00 0.00 C ATOM 810 C SER A 50 0.758 -9.898 13.873 1.00 0.00 C ATOM 811 O SER A 50 -0.400 -10.306 13.952 1.00 0.00 O ATOM 812 CB SER A 50 1.551 -7.535 14.178 1.00 0.00 C ATOM 813 OG SER A 50 1.495 -7.653 12.759 1.00 0.00 O ATOM 0 H SER A 50 3.334 -8.820 15.335 1.00 0.00 H new ATOM 0 HA SER A 50 0.541 -8.705 15.650 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.815 -6.803 14.510 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.531 -7.158 14.472 1.00 0.00 H new ATOM 0 HG SER A 50 1.255 -6.787 12.368 1.00 0.00 H new ATOM 819 N ILE A 51 1.629 -10.286 12.954 1.00 0.00 N ATOM 820 CA ILE A 51 1.262 -11.257 11.937 1.00 0.00 C ATOM 821 C ILE A 51 1.015 -12.614 12.600 1.00 0.00 C ATOM 822 O ILE A 51 0.053 -13.305 12.268 1.00 0.00 O ATOM 823 CB ILE A 51 2.315 -11.297 10.829 1.00 0.00 C ATOM 824 CG1 ILE A 51 1.777 -12.009 9.586 1.00 0.00 C ATOM 825 CG2 ILE A 51 3.617 -11.925 11.331 1.00 0.00 C ATOM 826 CD1 ILE A 51 1.013 -11.038 8.685 1.00 0.00 C ATOM 0 H ILE A 51 2.589 -9.946 12.892 1.00 0.00 H new ATOM 0 HA ILE A 51 0.332 -10.965 11.450 1.00 0.00 H new ATOM 0 HB ILE A 51 2.544 -10.271 10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.603 -12.452 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.120 -12.825 9.886 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.348 -11.941 10.523 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.007 -11.338 12.162 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.424 -12.944 11.666 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.642 -11.570 7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.173 -10.615 9.236 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.679 -10.236 8.367 1.00 0.00 H new ATOM 838 N ARG A 52 1.900 -12.955 13.525 1.00 0.00 N ATOM 839 CA ARG A 52 1.791 -14.216 14.237 1.00 0.00 C ATOM 840 C ARG A 52 0.477 -14.272 15.019 1.00 0.00 C ATOM 841 O ARG A 52 -0.103 -15.343 15.190 1.00 0.00 O ATOM 842 CB ARG A 52 2.961 -14.407 15.204 1.00 0.00 C ATOM 843 CG ARG A 52 4.226 -14.835 14.457 1.00 0.00 C ATOM 844 CD ARG A 52 5.440 -14.828 15.387 1.00 0.00 C ATOM 845 NE ARG A 52 6.614 -14.266 14.683 1.00 0.00 N ATOM 846 CZ ARG A 52 7.880 -14.407 15.101 1.00 0.00 C ATOM 847 NH1 ARG A 52 8.143 -15.092 16.222 1.00 0.00 N ATOM 848 NH2 ARG A 52 8.882 -13.862 14.398 1.00 0.00 N ATOM 0 H ARG A 52 2.696 -12.379 13.798 1.00 0.00 H new ATOM 0 HA ARG A 52 1.812 -15.017 13.498 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.149 -13.477 15.741 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.702 -15.159 15.949 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.087 -15.833 14.042 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.402 -14.162 13.618 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.223 -14.238 16.277 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.658 -15.842 15.722 1.00 0.00 H new ATOM 0 HE ARG A 52 6.450 -13.738 13.826 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.380 -15.506 16.757 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.106 -15.199 16.540 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.682 -13.340 13.545 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.845 -13.969 14.716 1.00 0.00 H new ATOM 862 N HIS A 53 0.046 -13.104 15.474 1.00 0.00 N ATOM 863 CA HIS A 53 -1.188 -13.006 16.234 1.00 0.00 C ATOM 864 C HIS A 53 -2.378 -13.314 15.323 1.00 0.00 C ATOM 865 O HIS A 53 -3.136 -14.248 15.580 1.00 0.00 O ATOM 866 CB HIS A 53 -1.300 -11.640 16.914 1.00 0.00 C ATOM 867 CG HIS A 53 -2.720 -11.208 17.195 1.00 0.00 C ATOM 868 ND1 HIS A 53 -3.249 -11.155 18.472 1.00 0.00 N ATOM 869 CD2 HIS A 53 -3.713 -10.810 16.350 1.00 0.00 C ATOM 870 CE1 HIS A 53 -4.505 -10.742 18.388 1.00 0.00 C ATOM 871 NE2 HIS A 53 -4.791 -10.529 17.072 1.00 0.00 N ATOM 0 H HIS A 53 0.530 -12.218 15.331 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.186 -13.746 17.034 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.747 -11.666 17.853 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.821 -10.891 16.283 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.636 -10.736 15.275 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -5.183 -10.599 19.216 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.686 -10.207 16.703 1.00 0.00 H new ATOM 879 N ASN A 54 -2.505 -12.511 14.277 1.00 0.00 N ATOM 880 CA ASN A 54 -3.589 -12.686 13.326 1.00 0.00 C ATOM 881 C ASN A 54 -3.398 -14.007 12.579 1.00 0.00 C ATOM 882 O ASN A 54 -4.311 -14.479 11.902 1.00 0.00 O ATOM 883 CB ASN A 54 -3.605 -11.557 12.294 1.00 0.00 C ATOM 884 CG ASN A 54 -5.036 -11.212 11.880 1.00 0.00 C ATOM 885 OD1 ASN A 54 -5.756 -12.015 11.309 1.00 0.00 O ATOM 886 ND2 ASN A 54 -5.408 -9.975 12.198 1.00 0.00 N ATOM 0 H ASN A 54 -1.875 -11.737 14.067 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.528 -12.680 13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.120 -10.674 12.709 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.030 -11.854 11.417 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.345 -9.648 11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.756 -9.353 12.676 1.00 0.00 H new ATOM 893 N LEU A 55 -2.206 -14.567 12.726 1.00 0.00 N ATOM 894 CA LEU A 55 -1.884 -15.824 12.074 1.00 0.00 C ATOM 895 C LEU A 55 -2.420 -16.983 12.916 1.00 0.00 C ATOM 896 O LEU A 55 -3.133 -17.847 12.408 1.00 0.00 O ATOM 897 CB LEU A 55 -0.383 -15.912 11.791 1.00 0.00 C ATOM 898 CG LEU A 55 0.100 -17.203 11.128 1.00 0.00 C ATOM 899 CD1 LEU A 55 -0.841 -17.624 9.997 1.00 0.00 C ATOM 900 CD2 LEU A 55 1.546 -17.065 10.648 1.00 0.00 C ATOM 0 H LEU A 55 -1.451 -14.173 13.288 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.372 -15.884 11.101 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.104 -15.073 11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.152 -15.788 12.733 1.00 0.00 H new ATOM 0 HG LEU A 55 0.082 -17.997 11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.475 -18.545 9.543 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.841 -17.790 10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.879 -16.837 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.865 -17.997 10.181 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.613 -16.254 9.923 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.192 -16.846 11.498 1.00 0.00 H new ATOM 912 N SER A 56 -2.056 -16.965 14.190 1.00 0.00 N ATOM 913 CA SER A 56 -2.492 -18.003 15.108 1.00 0.00 C ATOM 914 C SER A 56 -3.944 -17.760 15.523 1.00 0.00 C ATOM 915 O SER A 56 -4.793 -18.637 15.370 1.00 0.00 O ATOM 916 CB SER A 56 -1.590 -18.061 16.343 1.00 0.00 C ATOM 917 OG SER A 56 -2.340 -18.035 17.554 1.00 0.00 O ATOM 0 H SER A 56 -1.464 -16.247 14.608 1.00 0.00 H new ATOM 0 HA SER A 56 -2.423 -18.963 14.595 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.987 -18.969 16.309 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.899 -17.219 16.327 1.00 0.00 H new ATOM 0 HG SER A 56 -1.728 -18.075 18.319 1.00 0.00 H new ATOM 923 N LEU A 57 -4.186 -16.564 16.040 1.00 0.00 N ATOM 924 CA LEU A 57 -5.521 -16.194 16.478 1.00 0.00 C ATOM 925 C LEU A 57 -6.412 -15.973 15.254 1.00 0.00 C ATOM 926 O LEU A 57 -6.608 -14.838 14.822 1.00 0.00 O ATOM 927 CB LEU A 57 -5.461 -14.991 17.421 1.00 0.00 C ATOM 928 CG LEU A 57 -5.086 -15.294 18.873 1.00 0.00 C ATOM 929 CD1 LEU A 57 -6.140 -16.181 19.538 1.00 0.00 C ATOM 930 CD2 LEU A 57 -3.685 -15.903 18.962 1.00 0.00 C ATOM 0 H LEU A 57 -3.480 -15.839 16.165 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.970 -17.001 17.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.740 -14.277 17.022 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.434 -14.500 17.413 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.064 -14.353 19.423 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.849 -16.381 20.569 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.104 -15.673 19.525 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.219 -17.122 18.994 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.443 -16.109 20.005 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.655 -16.832 18.392 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.957 -15.203 18.552 1.00 0.00 H new ATOM 942 N ASN A 58 -6.927 -17.075 14.730 1.00 0.00 N ATOM 943 CA ASN A 58 -7.792 -17.015 13.564 1.00 0.00 C ATOM 944 C ASN A 58 -7.937 -18.418 12.970 1.00 0.00 C ATOM 945 O ASN A 58 -9.050 -18.906 12.784 1.00 0.00 O ATOM 946 CB ASN A 58 -7.203 -16.103 12.487 1.00 0.00 C ATOM 947 CG ASN A 58 -8.183 -14.988 12.116 1.00 0.00 C ATOM 948 OD1 ASN A 58 -8.550 -14.805 10.967 1.00 0.00 O ATOM 949 ND2 ASN A 58 -8.585 -14.255 13.151 1.00 0.00 N ATOM 0 H ASN A 58 -6.762 -18.015 15.091 1.00 0.00 H new ATOM 0 HA ASN A 58 -8.758 -16.621 13.880 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.270 -15.668 12.845 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.962 -16.690 11.601 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.240 -13.486 13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.239 -14.462 14.088 1.00 0.00 H new ATOM 956 N ASP A 59 -6.794 -19.026 12.687 1.00 0.00 N ATOM 957 CA ASP A 59 -6.779 -20.363 12.117 1.00 0.00 C ATOM 958 C ASP A 59 -6.958 -21.391 13.235 1.00 0.00 C ATOM 959 O ASP A 59 -7.758 -22.317 13.110 1.00 0.00 O ATOM 960 CB ASP A 59 -5.448 -20.649 11.419 1.00 0.00 C ATOM 961 CG ASP A 59 -5.169 -19.794 10.182 1.00 0.00 C ATOM 962 OD1 ASP A 59 -4.595 -18.699 10.366 1.00 0.00 O ATOM 963 OD2 ASP A 59 -5.537 -20.254 9.079 1.00 0.00 O ATOM 0 H ASP A 59 -5.872 -18.618 12.842 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.588 -20.429 11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.640 -20.499 12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.426 -21.699 11.128 1.00 0.00 H new ATOM 968 N CYS A 60 -6.199 -21.195 14.304 1.00 0.00 N ATOM 969 CA CYS A 60 -6.263 -22.094 15.443 1.00 0.00 C ATOM 970 C CYS A 60 -5.511 -23.377 15.086 1.00 0.00 C ATOM 971 O CYS A 60 -6.103 -24.454 15.035 1.00 0.00 O ATOM 972 CB CYS A 60 -7.708 -22.376 15.860 1.00 0.00 C ATOM 973 SG CYS A 60 -7.743 -23.123 17.530 1.00 0.00 S ATOM 0 H CYS A 60 -5.536 -20.426 14.405 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.790 -21.626 16.306 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -8.284 -21.451 15.854 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -8.178 -23.048 15.142 1.00 0.00 H new ATOM 0 HG CYS A 60 -8.974 -23.357 17.875 1.00 0.00 H new ATOM 979 N PHE A 61 -4.217 -23.220 14.847 1.00 0.00 N ATOM 980 CA PHE A 61 -3.378 -24.353 14.496 1.00 0.00 C ATOM 981 C PHE A 61 -2.263 -24.549 15.525 1.00 0.00 C ATOM 982 O PHE A 61 -2.343 -24.033 16.639 1.00 0.00 O ATOM 983 CB PHE A 61 -2.751 -24.040 13.136 1.00 0.00 C ATOM 984 CG PHE A 61 -2.313 -22.583 12.972 1.00 0.00 C ATOM 985 CD1 PHE A 61 -1.481 -22.017 13.887 1.00 0.00 C ATOM 986 CD2 PHE A 61 -2.755 -21.855 11.913 1.00 0.00 C ATOM 987 CE1 PHE A 61 -1.074 -20.665 13.736 1.00 0.00 C ATOM 988 CE2 PHE A 61 -2.348 -20.503 11.761 1.00 0.00 C ATOM 989 CZ PHE A 61 -1.516 -19.937 12.676 1.00 0.00 C ATOM 0 H PHE A 61 -3.729 -22.325 14.890 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.975 -25.264 14.469 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.886 -24.687 12.989 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.468 -24.283 12.352 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.130 -22.596 14.728 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.416 -22.305 11.187 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.414 -20.215 14.463 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.699 -19.925 10.919 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.206 -18.909 12.561 1.00 0.00 H new ATOM 999 N VAL A 62 -1.249 -25.297 15.115 1.00 0.00 N ATOM 1000 CA VAL A 62 -0.119 -25.568 15.988 1.00 0.00 C ATOM 1001 C VAL A 62 1.159 -25.029 15.342 1.00 0.00 C ATOM 1002 O VAL A 62 1.272 -24.991 14.118 1.00 0.00 O ATOM 1003 CB VAL A 62 -0.046 -27.064 16.301 1.00 0.00 C ATOM 1004 CG1 VAL A 62 0.956 -27.341 17.423 1.00 0.00 C ATOM 1005 CG2 VAL A 62 -1.428 -27.618 16.651 1.00 0.00 C ATOM 0 H VAL A 62 -1.186 -25.724 14.191 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.242 -25.056 16.942 1.00 0.00 H new ATOM 0 HB VAL A 62 0.304 -27.577 15.405 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.988 -28.411 17.626 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.946 -26.999 17.120 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.649 -26.810 18.324 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.348 -28.683 16.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.818 -27.097 17.525 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.103 -27.470 15.808 1.00 0.00 H new ATOM 1015 N LYS A 63 2.090 -24.626 16.195 1.00 0.00 N ATOM 1016 CA LYS A 63 3.356 -24.091 15.722 1.00 0.00 C ATOM 1017 C LYS A 63 4.500 -24.724 16.517 1.00 0.00 C ATOM 1018 O LYS A 63 4.268 -25.379 17.532 1.00 0.00 O ATOM 1019 CB LYS A 63 3.344 -22.562 15.772 1.00 0.00 C ATOM 1020 CG LYS A 63 1.962 -22.013 15.415 1.00 0.00 C ATOM 1021 CD LYS A 63 1.204 -21.575 16.670 1.00 0.00 C ATOM 1022 CE LYS A 63 1.371 -20.074 16.915 1.00 0.00 C ATOM 1023 NZ LYS A 63 0.703 -19.678 18.175 1.00 0.00 N ATOM 0 H LYS A 63 1.993 -24.659 17.210 1.00 0.00 H new ATOM 0 HA LYS A 63 3.513 -24.351 14.675 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.627 -22.225 16.769 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.087 -22.166 15.079 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.067 -21.167 14.736 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.389 -22.776 14.888 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.146 -21.814 16.562 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.570 -22.131 17.533 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.431 -19.823 16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.949 -19.514 16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.796 -18.651 18.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.305 -19.931 18.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.147 -20.174 18.974 1.00 0.00 H new ATOM 1037 N ILE A 64 5.711 -24.505 16.027 1.00 0.00 N ATOM 1038 CA ILE A 64 6.892 -25.045 16.679 1.00 0.00 C ATOM 1039 C ILE A 64 7.794 -23.893 17.127 1.00 0.00 C ATOM 1040 O ILE A 64 8.245 -23.097 16.305 1.00 0.00 O ATOM 1041 CB ILE A 64 7.592 -26.055 15.768 1.00 0.00 C ATOM 1042 CG1 ILE A 64 8.358 -27.095 16.588 1.00 0.00 C ATOM 1043 CG2 ILE A 64 8.494 -25.347 14.755 1.00 0.00 C ATOM 1044 CD1 ILE A 64 8.780 -28.279 15.716 1.00 0.00 C ATOM 0 H ILE A 64 5.900 -23.961 15.185 1.00 0.00 H new ATOM 0 HA ILE A 64 6.613 -25.599 17.575 1.00 0.00 H new ATOM 0 HB ILE A 64 6.829 -26.589 15.202 1.00 0.00 H new ATOM 0 HG12 ILE A 64 9.240 -26.634 17.033 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.734 -27.448 17.409 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.980 -26.088 14.120 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.894 -24.678 14.138 1.00 0.00 H new ATOM 0 HG23 ILE A 64 9.252 -24.770 15.284 1.00 0.00 H new ATOM 0 HD11 ILE A 64 9.323 -29.003 16.324 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.894 -28.752 15.292 1.00 0.00 H new ATOM 0 HD13 ILE A 64 9.424 -27.926 14.910 1.00 0.00 H new ATOM 1056 N PRO A 65 8.036 -23.839 18.464 1.00 0.00 N ATOM 1057 CA PRO A 65 8.875 -22.798 19.032 1.00 0.00 C ATOM 1058 C PRO A 65 10.353 -23.066 18.740 1.00 0.00 C ATOM 1059 O PRO A 65 10.682 -23.842 17.845 1.00 0.00 O ATOM 1060 CB PRO A 65 8.553 -22.799 20.517 1.00 0.00 C ATOM 1061 CG PRO A 65 7.897 -24.140 20.801 1.00 0.00 C ATOM 1062 CD PRO A 65 7.518 -24.765 19.468 1.00 0.00 C ATOM 0 HA PRO A 65 8.681 -21.817 18.597 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.457 -22.673 21.113 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.886 -21.976 20.772 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.580 -24.791 21.347 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.014 -24.008 21.426 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.957 -25.756 19.356 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.438 -24.883 19.379 1.00 0.00 H new ATOM 1070 N ARG A 66 11.204 -22.408 19.514 1.00 0.00 N ATOM 1071 CA ARG A 66 12.640 -22.565 19.350 1.00 0.00 C ATOM 1072 C ARG A 66 12.971 -23.993 18.913 1.00 0.00 C ATOM 1073 O ARG A 66 12.722 -24.945 19.651 1.00 0.00 O ATOM 1074 CB ARG A 66 13.380 -22.252 20.651 1.00 0.00 C ATOM 1075 CG ARG A 66 13.076 -20.830 21.127 1.00 0.00 C ATOM 1076 CD ARG A 66 12.787 -20.805 22.630 1.00 0.00 C ATOM 1077 NE ARG A 66 11.718 -21.775 22.956 1.00 0.00 N ATOM 1078 CZ ARG A 66 10.414 -21.470 22.994 1.00 0.00 C ATOM 1079 NH1 ARG A 66 10.009 -20.221 22.727 1.00 0.00 N ATOM 1080 NH2 ARG A 66 9.514 -22.415 23.300 1.00 0.00 N ATOM 0 H ARG A 66 10.927 -21.765 20.256 1.00 0.00 H new ATOM 0 HA ARG A 66 12.965 -21.862 18.583 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.088 -22.967 21.420 1.00 0.00 H new ATOM 0 HB3 ARG A 66 14.453 -22.367 20.500 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.922 -20.180 20.905 1.00 0.00 H new ATOM 0 HG3 ARG A 66 12.219 -20.435 20.582 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.692 -21.048 23.187 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.485 -19.803 22.934 1.00 0.00 H new ATOM 0 HE ARG A 66 11.991 -22.735 23.165 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.694 -19.502 22.495 1.00 0.00 H new ATOM 0 HH12 ARG A 66 9.016 -19.990 22.756 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.822 -23.366 23.504 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.521 -22.183 23.329 1.00 0.00 H new ATOM 1094 N GLU A 67 13.526 -24.098 17.715 1.00 0.00 N ATOM 1095 CA GLU A 67 13.894 -25.395 17.171 1.00 0.00 C ATOM 1096 C GLU A 67 15.412 -25.578 17.216 1.00 0.00 C ATOM 1097 O GLU A 67 16.153 -24.794 16.625 1.00 0.00 O ATOM 1098 CB GLU A 67 13.363 -25.562 15.746 1.00 0.00 C ATOM 1099 CG GLU A 67 13.734 -26.934 15.181 1.00 0.00 C ATOM 1100 CD GLU A 67 15.187 -26.956 14.703 1.00 0.00 C ATOM 1101 OE1 GLU A 67 15.614 -25.927 14.136 1.00 0.00 O ATOM 1102 OE2 GLU A 67 15.839 -28.002 14.915 1.00 0.00 O ATOM 0 H GLU A 67 13.730 -23.306 17.105 1.00 0.00 H new ATOM 0 HA GLU A 67 13.436 -26.169 17.787 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.279 -25.444 15.741 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.772 -24.779 15.107 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.587 -27.698 15.945 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.071 -27.181 14.352 1.00 0.00 H new ATOM 1109 N PRO A 68 15.841 -26.645 17.941 1.00 0.00 N ATOM 1110 CA PRO A 68 17.258 -26.941 18.071 1.00 0.00 C ATOM 1111 C PRO A 68 17.811 -27.551 16.781 1.00 0.00 C ATOM 1112 O PRO A 68 17.933 -28.770 16.670 1.00 0.00 O ATOM 1113 CB PRO A 68 17.356 -27.881 19.262 1.00 0.00 C ATOM 1114 CG PRO A 68 15.959 -28.443 19.466 1.00 0.00 C ATOM 1115 CD PRO A 68 14.992 -27.595 18.654 1.00 0.00 C ATOM 0 HA PRO A 68 17.861 -26.048 18.235 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.074 -28.679 19.072 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.697 -27.351 20.151 1.00 0.00 H new ATOM 0 HG2 PRO A 68 15.916 -29.484 19.145 1.00 0.00 H new ATOM 0 HG3 PRO A 68 15.690 -28.423 20.522 1.00 0.00 H new ATOM 0 HD2 PRO A 68 14.414 -28.207 17.961 1.00 0.00 H new ATOM 0 HD3 PRO A 68 14.278 -27.082 19.298 1.00 0.00 H new ATOM 1123 N GLY A 69 18.130 -26.676 15.840 1.00 0.00 N ATOM 1124 CA GLY A 69 18.668 -27.113 14.562 1.00 0.00 C ATOM 1125 C GLY A 69 19.040 -25.916 13.686 1.00 0.00 C ATOM 1126 O GLY A 69 20.035 -25.956 12.964 1.00 0.00 O ATOM 0 H GLY A 69 18.027 -25.666 15.936 1.00 0.00 H new ATOM 0 HA2 GLY A 69 19.548 -27.735 14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 69 17.933 -27.731 14.046 1.00 0.00 H new ATOM 1130 N ASN A 70 18.221 -24.878 13.778 1.00 0.00 N ATOM 1131 CA ASN A 70 18.452 -23.671 13.002 1.00 0.00 C ATOM 1132 C ASN A 70 18.539 -22.471 13.947 1.00 0.00 C ATOM 1133 O ASN A 70 17.523 -21.857 14.270 1.00 0.00 O ATOM 1134 CB ASN A 70 17.305 -23.419 12.021 1.00 0.00 C ATOM 1135 CG ASN A 70 16.931 -24.701 11.275 1.00 0.00 C ATOM 1136 OD1 ASN A 70 17.697 -25.243 10.495 1.00 0.00 O ATOM 1137 ND2 ASN A 70 15.712 -25.154 11.556 1.00 0.00 N ATOM 0 H ASN A 70 17.397 -24.848 14.378 1.00 0.00 H new ATOM 0 HA ASN A 70 19.380 -23.800 12.446 1.00 0.00 H new ATOM 0 HB2 ASN A 70 16.436 -23.041 12.561 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.596 -22.649 11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 70 15.368 -26.004 11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.122 -24.652 12.219 1.00 0.00 H new ATOM 1144 N PRO A 71 19.793 -22.166 14.375 1.00 0.00 N ATOM 1145 CA PRO A 71 20.025 -21.050 15.276 1.00 0.00 C ATOM 1146 C PRO A 71 19.915 -19.715 14.537 1.00 0.00 C ATOM 1147 O PRO A 71 20.803 -19.353 13.766 1.00 0.00 O ATOM 1148 CB PRO A 71 21.408 -21.295 15.857 1.00 0.00 C ATOM 1149 CG PRO A 71 22.086 -22.279 14.918 1.00 0.00 C ATOM 1150 CD PRO A 71 21.019 -22.871 14.013 1.00 0.00 C ATOM 0 HA PRO A 71 19.279 -20.988 16.069 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.974 -20.366 15.924 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.341 -21.701 16.866 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.852 -21.777 14.327 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.585 -23.065 15.485 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.265 -22.723 12.961 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.919 -23.945 14.169 1.00 0.00 H new ATOM 1158 N GLY A 72 18.818 -19.020 14.797 1.00 0.00 N ATOM 1159 CA GLY A 72 18.580 -17.733 14.166 1.00 0.00 C ATOM 1160 C GLY A 72 17.081 -17.471 14.002 1.00 0.00 C ATOM 1161 O GLY A 72 16.422 -17.013 14.933 1.00 0.00 O ATOM 0 H GLY A 72 18.084 -19.324 15.436 1.00 0.00 H new ATOM 0 HA2 GLY A 72 19.028 -16.941 14.767 1.00 0.00 H new ATOM 0 HA3 GLY A 72 19.066 -17.707 13.191 1.00 0.00 H new ATOM 1165 N LYS A 73 16.588 -17.773 12.810 1.00 0.00 N ATOM 1166 CA LYS A 73 15.179 -17.577 12.511 1.00 0.00 C ATOM 1167 C LYS A 73 14.680 -18.734 11.645 1.00 0.00 C ATOM 1168 O LYS A 73 14.136 -18.515 10.563 1.00 0.00 O ATOM 1169 CB LYS A 73 14.951 -16.198 11.888 1.00 0.00 C ATOM 1170 CG LYS A 73 15.607 -16.106 10.508 1.00 0.00 C ATOM 1171 CD LYS A 73 16.694 -15.029 10.489 1.00 0.00 C ATOM 1172 CE LYS A 73 17.038 -14.622 9.055 1.00 0.00 C ATOM 1173 NZ LYS A 73 17.895 -13.416 9.050 1.00 0.00 N ATOM 0 H LYS A 73 17.139 -18.152 12.040 1.00 0.00 H new ATOM 0 HA LYS A 73 14.589 -17.588 13.428 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.882 -16.007 11.800 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.360 -15.427 12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.040 -17.070 10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.851 -15.878 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.356 -14.156 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.588 -15.401 10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.550 -15.442 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.122 -14.427 8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.119 -13.153 8.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.393 -12.631 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.776 -13.614 9.565 1.00 0.00 H new ATOM 1187 N GLY A 74 14.881 -19.941 12.152 1.00 0.00 N ATOM 1188 CA GLY A 74 14.458 -21.134 11.438 1.00 0.00 C ATOM 1189 C GLY A 74 13.439 -21.930 12.256 1.00 0.00 C ATOM 1190 O GLY A 74 13.809 -22.662 13.172 1.00 0.00 O ATOM 0 H GLY A 74 15.332 -20.119 13.050 1.00 0.00 H new ATOM 0 HA2 GLY A 74 14.021 -20.853 10.480 1.00 0.00 H new ATOM 0 HA3 GLY A 74 15.324 -21.759 11.222 1.00 0.00 H new ATOM 1194 N ASN A 75 12.176 -21.760 11.894 1.00 0.00 N ATOM 1195 CA ASN A 75 11.100 -22.454 12.583 1.00 0.00 C ATOM 1196 C ASN A 75 10.028 -22.857 11.569 1.00 0.00 C ATOM 1197 O ASN A 75 10.076 -22.444 10.412 1.00 0.00 O ATOM 1198 CB ASN A 75 10.445 -21.551 13.631 1.00 0.00 C ATOM 1199 CG ASN A 75 8.943 -21.416 13.375 1.00 0.00 C ATOM 1200 OD1 ASN A 75 8.121 -22.082 13.983 1.00 0.00 O ATOM 1201 ND2 ASN A 75 8.631 -20.519 12.444 1.00 0.00 N ATOM 0 H ASN A 75 11.873 -21.152 11.133 1.00 0.00 H new ATOM 0 HA ASN A 75 11.523 -23.329 13.075 1.00 0.00 H new ATOM 0 HB2 ASN A 75 10.613 -21.962 14.627 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.911 -20.566 13.610 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.654 -20.355 12.201 1.00 0.00 H new ATOM 0 HD22 ASN A 75 9.369 -19.995 11.973 1.00 0.00 H new ATOM 1208 N TYR A 76 9.085 -23.660 12.041 1.00 0.00 N ATOM 1209 CA TYR A 76 8.003 -24.124 11.190 1.00 0.00 C ATOM 1210 C TYR A 76 6.677 -24.146 11.953 1.00 0.00 C ATOM 1211 O TYR A 76 6.659 -24.317 13.171 1.00 0.00 O ATOM 1212 CB TYR A 76 8.368 -25.554 10.786 1.00 0.00 C ATOM 1213 CG TYR A 76 9.830 -25.921 11.049 1.00 0.00 C ATOM 1214 CD1 TYR A 76 10.835 -25.312 10.326 1.00 0.00 C ATOM 1215 CD2 TYR A 76 10.143 -26.862 12.009 1.00 0.00 C ATOM 1216 CE1 TYR A 76 12.211 -25.658 10.573 1.00 0.00 C ATOM 1217 CE2 TYR A 76 11.519 -27.207 12.257 1.00 0.00 C ATOM 1218 CZ TYR A 76 12.485 -26.588 11.527 1.00 0.00 C ATOM 1219 OH TYR A 76 13.784 -26.915 11.760 1.00 0.00 O ATOM 0 H TYR A 76 9.048 -24.001 13.002 1.00 0.00 H new ATOM 0 HA TYR A 76 7.881 -23.465 10.331 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.727 -26.249 11.328 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.156 -25.686 9.725 1.00 0.00 H new ATOM 0 HD1 TYR A 76 10.590 -24.576 9.575 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.356 -27.339 12.574 1.00 0.00 H new ATOM 0 HE1 TYR A 76 13.007 -25.190 10.013 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.778 -27.941 13.006 1.00 0.00 H new ATOM 0 HH TYR A 76 13.883 -27.890 11.749 1.00 0.00 H new ATOM 1229 N TRP A 77 5.598 -23.969 11.204 1.00 0.00 N ATOM 1230 CA TRP A 77 4.270 -23.966 11.794 1.00 0.00 C ATOM 1231 C TRP A 77 3.456 -25.081 11.134 1.00 0.00 C ATOM 1232 O TRP A 77 3.658 -25.390 9.960 1.00 0.00 O ATOM 1233 CB TRP A 77 3.615 -22.590 11.663 1.00 0.00 C ATOM 1234 CG TRP A 77 4.235 -21.517 12.561 1.00 0.00 C ATOM 1235 CD1 TRP A 77 5.488 -21.459 13.032 1.00 0.00 C ATOM 1236 CD2 TRP A 77 3.575 -20.343 13.079 1.00 0.00 C ATOM 1237 NE1 TRP A 77 5.684 -20.339 13.813 1.00 0.00 N ATOM 1238 CE2 TRP A 77 4.483 -19.638 13.843 1.00 0.00 C ATOM 1239 CE3 TRP A 77 2.255 -19.891 12.909 1.00 0.00 C ATOM 1240 CZ2 TRP A 77 4.169 -18.440 14.496 1.00 0.00 C ATOM 1241 CZ3 TRP A 77 1.957 -18.693 13.568 1.00 0.00 C ATOM 1242 CH2 TRP A 77 2.860 -17.971 14.340 1.00 0.00 C ATOM 0 H TRP A 77 5.617 -23.827 10.194 1.00 0.00 H new ATOM 0 HA TRP A 77 4.324 -24.162 12.865 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.683 -22.264 10.625 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.555 -22.680 11.900 1.00 0.00 H new ATOM 0 HD1 TRP A 77 6.249 -22.197 12.826 1.00 0.00 H new ATOM 0 HE1 TRP A 77 6.550 -20.074 14.282 1.00 0.00 H new ATOM 0 HE3 TRP A 77 1.528 -20.426 12.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.898 -17.907 15.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 0.955 -18.302 13.470 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.553 -17.052 14.817 1.00 0.00 H new ATOM 1253 N THR A 78 2.553 -25.654 11.916 1.00 0.00 N ATOM 1254 CA THR A 78 1.708 -26.727 11.422 1.00 0.00 C ATOM 1255 C THR A 78 0.237 -26.310 11.462 1.00 0.00 C ATOM 1256 O THR A 78 -0.197 -25.642 12.400 1.00 0.00 O ATOM 1257 CB THR A 78 2.007 -27.982 12.245 1.00 0.00 C ATOM 1258 OG1 THR A 78 3.417 -28.148 12.126 1.00 0.00 O ATOM 1259 CG2 THR A 78 1.427 -29.249 11.613 1.00 0.00 C ATOM 0 H THR A 78 2.388 -25.395 12.889 1.00 0.00 H new ATOM 0 HA THR A 78 1.921 -26.948 10.376 1.00 0.00 H new ATOM 0 HB THR A 78 1.603 -27.861 13.250 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.697 -28.939 12.632 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.668 -30.110 12.237 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.344 -29.152 11.531 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.855 -29.389 10.620 1.00 0.00 H new ATOM 1267 N LEU A 79 -0.490 -26.720 10.434 1.00 0.00 N ATOM 1268 CA LEU A 79 -1.904 -26.397 10.340 1.00 0.00 C ATOM 1269 C LEU A 79 -2.719 -27.692 10.328 1.00 0.00 C ATOM 1270 O LEU A 79 -2.288 -28.696 9.762 1.00 0.00 O ATOM 1271 CB LEU A 79 -2.168 -25.493 9.135 1.00 0.00 C ATOM 1272 CG LEU A 79 -3.232 -24.410 9.329 1.00 0.00 C ATOM 1273 CD1 LEU A 79 -2.798 -23.094 8.681 1.00 0.00 C ATOM 1274 CD2 LEU A 79 -4.594 -24.881 8.815 1.00 0.00 C ATOM 0 H LEU A 79 -0.127 -27.273 9.658 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.223 -25.827 11.213 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.232 -25.009 8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.465 -26.120 8.294 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.339 -24.223 10.397 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.571 -22.341 8.833 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.867 -22.755 9.135 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.646 -23.247 7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.332 -24.093 8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.522 -25.113 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.900 -25.773 9.361 1.00 0.00 H new ATOM 1286 N ASP A 80 -3.882 -27.627 10.959 1.00 0.00 N ATOM 1287 CA ASP A 80 -4.761 -28.782 11.028 1.00 0.00 C ATOM 1288 C ASP A 80 -5.564 -28.885 9.730 1.00 0.00 C ATOM 1289 O ASP A 80 -5.682 -27.909 8.990 1.00 0.00 O ATOM 1290 CB ASP A 80 -5.751 -28.653 12.187 1.00 0.00 C ATOM 1291 CG ASP A 80 -5.646 -29.745 13.253 1.00 0.00 C ATOM 1292 OD1 ASP A 80 -4.629 -30.471 13.223 1.00 0.00 O ATOM 1293 OD2 ASP A 80 -6.585 -29.830 14.073 1.00 0.00 O ATOM 0 H ASP A 80 -4.236 -26.793 11.427 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.143 -29.667 11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.603 -27.685 12.665 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.763 -28.658 11.782 1.00 0.00 H new ATOM 1298 N PRO A 81 -6.110 -30.106 9.486 1.00 0.00 N ATOM 1299 CA PRO A 81 -6.899 -30.349 8.290 1.00 0.00 C ATOM 1300 C PRO A 81 -8.286 -29.714 8.410 1.00 0.00 C ATOM 1301 O PRO A 81 -9.267 -30.405 8.682 1.00 0.00 O ATOM 1302 CB PRO A 81 -6.948 -31.862 8.151 1.00 0.00 C ATOM 1303 CG PRO A 81 -6.585 -32.418 9.519 1.00 0.00 C ATOM 1304 CD PRO A 81 -5.992 -31.284 10.340 1.00 0.00 C ATOM 0 HA PRO A 81 -6.464 -29.895 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.940 -32.194 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.248 -32.207 7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.468 -32.825 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.869 -33.234 9.422 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.532 -31.149 11.277 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.952 -31.484 10.598 1.00 0.00 H new ATOM 1312 N GLN A 82 -8.323 -28.406 8.201 1.00 0.00 N ATOM 1313 CA GLN A 82 -9.574 -27.671 8.283 1.00 0.00 C ATOM 1314 C GLN A 82 -9.333 -26.184 8.014 1.00 0.00 C ATOM 1315 O GLN A 82 -9.926 -25.328 8.670 1.00 0.00 O ATOM 1316 CB GLN A 82 -10.247 -27.881 9.640 1.00 0.00 C ATOM 1317 CG GLN A 82 -9.327 -27.443 10.782 1.00 0.00 C ATOM 1318 CD GLN A 82 -9.782 -28.043 12.114 1.00 0.00 C ATOM 1319 OE1 GLN A 82 -10.754 -28.776 12.194 1.00 0.00 O ATOM 1320 NE2 GLN A 82 -9.027 -27.693 13.151 1.00 0.00 N ATOM 0 H GLN A 82 -7.507 -27.837 7.975 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.249 -28.055 7.518 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.177 -27.315 9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.508 -28.932 9.762 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.304 -27.754 10.569 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -9.321 -26.355 10.852 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -8.227 -27.075 13.014 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.248 -28.042 14.084 1.00 0.00 H new ATOM 1329 N SER A 83 -8.463 -25.922 7.050 1.00 0.00 N ATOM 1330 CA SER A 83 -8.137 -24.553 6.687 1.00 0.00 C ATOM 1331 C SER A 83 -9.228 -23.978 5.782 1.00 0.00 C ATOM 1332 O SER A 83 -9.806 -22.936 6.085 1.00 0.00 O ATOM 1333 CB SER A 83 -6.776 -24.477 5.993 1.00 0.00 C ATOM 1334 OG SER A 83 -6.869 -24.769 4.602 1.00 0.00 O ATOM 0 H SER A 83 -7.973 -26.635 6.509 1.00 0.00 H new ATOM 0 HA SER A 83 -8.082 -23.960 7.600 1.00 0.00 H new ATOM 0 HB2 SER A 83 -6.356 -23.480 6.127 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.088 -25.179 6.465 1.00 0.00 H new ATOM 0 HG SER A 83 -5.980 -24.708 4.195 1.00 0.00 H new ATOM 1340 N GLU A 84 -9.476 -24.683 4.687 1.00 0.00 N ATOM 1341 CA GLU A 84 -10.487 -24.255 3.735 1.00 0.00 C ATOM 1342 C GLU A 84 -11.886 -24.437 4.329 1.00 0.00 C ATOM 1343 O GLU A 84 -12.855 -23.867 3.829 1.00 0.00 O ATOM 1344 CB GLU A 84 -10.350 -25.012 2.413 1.00 0.00 C ATOM 1345 CG GLU A 84 -10.686 -26.494 2.592 1.00 0.00 C ATOM 1346 CD GLU A 84 -11.909 -26.883 1.760 1.00 0.00 C ATOM 1347 OE1 GLU A 84 -11.767 -26.909 0.518 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -12.959 -27.147 2.384 1.00 0.00 O ATOM 0 H GLU A 84 -8.994 -25.547 4.438 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.337 -23.196 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.013 -24.573 1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.333 -24.909 2.035 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.832 -27.103 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.876 -26.703 3.645 1.00 0.00 H new ATOM 1355 N ASP A 85 -11.946 -25.233 5.386 1.00 0.00 N ATOM 1356 CA ASP A 85 -13.210 -25.498 6.053 1.00 0.00 C ATOM 1357 C ASP A 85 -13.555 -24.321 6.967 1.00 0.00 C ATOM 1358 O ASP A 85 -14.668 -23.800 6.921 1.00 0.00 O ATOM 1359 CB ASP A 85 -13.124 -26.758 6.916 1.00 0.00 C ATOM 1360 CG ASP A 85 -14.464 -27.439 7.201 1.00 0.00 C ATOM 1361 OD1 ASP A 85 -15.324 -26.766 7.810 1.00 0.00 O ATOM 1362 OD2 ASP A 85 -14.598 -28.616 6.804 1.00 0.00 O ATOM 0 H ASP A 85 -11.140 -25.703 5.797 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.973 -25.638 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.467 -27.474 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.656 -26.499 7.866 1.00 0.00 H new ATOM 1367 N MET A 86 -12.580 -23.936 7.777 1.00 0.00 N ATOM 1368 CA MET A 86 -12.766 -22.830 8.701 1.00 0.00 C ATOM 1369 C MET A 86 -12.818 -21.495 7.955 1.00 0.00 C ATOM 1370 O MET A 86 -13.284 -20.495 8.497 1.00 0.00 O ATOM 1371 CB MET A 86 -11.616 -22.808 9.710 1.00 0.00 C ATOM 1372 CG MET A 86 -10.326 -22.305 9.059 1.00 0.00 C ATOM 1373 SD MET A 86 -9.759 -20.829 9.888 1.00 0.00 S ATOM 1374 CE MET A 86 -8.302 -20.471 8.921 1.00 0.00 C ATOM 0 H MET A 86 -11.658 -24.371 7.813 1.00 0.00 H new ATOM 0 HA MET A 86 -13.714 -22.971 9.221 1.00 0.00 H new ATOM 0 HB2 MET A 86 -11.878 -22.166 10.551 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.459 -23.810 10.110 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.559 -23.078 9.109 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.499 -22.095 8.003 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.812 -19.582 9.318 1.00 0.00 H new ATOM 0 HE2 MET A 86 -7.616 -21.316 8.970 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.588 -20.296 7.884 1.00 0.00 H new ATOM 1384 N PHE A 87 -12.332 -21.524 6.722 1.00 0.00 N ATOM 1385 CA PHE A 87 -12.317 -20.328 5.897 1.00 0.00 C ATOM 1386 C PHE A 87 -13.622 -20.188 5.110 1.00 0.00 C ATOM 1387 O PHE A 87 -14.115 -19.079 4.911 1.00 0.00 O ATOM 1388 CB PHE A 87 -11.155 -20.479 4.912 1.00 0.00 C ATOM 1389 CG PHE A 87 -9.872 -19.772 5.351 1.00 0.00 C ATOM 1390 CD1 PHE A 87 -9.928 -18.505 5.843 1.00 0.00 C ATOM 1391 CD2 PHE A 87 -8.675 -20.409 5.248 1.00 0.00 C ATOM 1392 CE1 PHE A 87 -8.737 -17.848 6.250 1.00 0.00 C ATOM 1393 CE2 PHE A 87 -7.483 -19.752 5.655 1.00 0.00 C ATOM 1394 CZ PHE A 87 -7.539 -18.486 6.147 1.00 0.00 C ATOM 0 H PHE A 87 -11.946 -22.356 6.275 1.00 0.00 H new ATOM 0 HA PHE A 87 -12.206 -19.444 6.525 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.944 -21.540 4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.461 -20.086 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.879 -17.999 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -8.631 -21.415 4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.782 -16.842 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.532 -20.258 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.633 -17.986 6.456 1.00 0.00 H new