USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 891 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 13 HIS : no HD1:sc= -2.4 K(o=-5.9,f=-8!) USER MOD Set 1.2: A 86 ASN : amide:sc= -3.52! C(o=-5.9!,f=-6.2!) USER MOD Set 2.1: A 50 GLN : amide:sc= -0.47 K(o=-0.32,f=-2.8) USER MOD Set 2.2: A 54 ASN : amide:sc= 0.148 K(o=-0.32,f=-1.3) USER MOD Set 3.1: A 37 TYR OH : rot 165:sc= -0.693 USER MOD Set 3.2: A 41 LYS NZ :NH3+ -130:sc= -0.405 (180deg=-2.64!) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= -0.172 USER MOD Set 4.2: A 27 GLN : amide:sc= -0.912 X(o=-1.1,f=-0.8) USER MOD Set 5.1: A 21 THR OG1 : rot 6:sc= 0.855 USER MOD Set 5.2: A 117 THR OG1 : rot 35:sc= -0.891! USER MOD Set 6.1: A 15 ASN : amide:sc= 0 X(o=-0.84,f=-0.84) USER MOD Set 6.2: A 17 ASN : amide:sc= -0.835 X(o=-0.84,f=-1) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.36) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc=-0.000926 K(o=-0.00093,f=-0.61) USER MOD Single : A 33 SER OG : rot -56:sc= 0.0739 USER MOD Single : A 34 THR OG1 : rot -123:sc= 1.14 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.282 K(o=-0.28,f=-2.4!) USER MOD Single : A 39 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.5!) USER MOD Single : A 40 THR OG1 : rot 110:sc= 0.704 USER MOD Single : A 43 SER OG : rot -172:sc= 0.0057 USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 49 ASN : amide:sc= -0.345 X(o=-0.35,f=-0.39) USER MOD Single : A 55 SER OG : rot -26:sc= 0.414 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 8:sc= -3.17! USER MOD Single : A 65 GLN : amide:sc=-0.00936 K(o=-0.0094,f=-0.8) USER MOD Single : A 71 SER OG : rot 94:sc= 0.00443 USER MOD Single : A 77 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.18) USER MOD Single : A 78 HIS : no HD1:sc= -3.43 K(o=-3.4,f=-1.8) USER MOD Single : A 79 THR OG1 : rot 128:sc= 0.521 USER MOD Single : A 83 SER OG : rot -120:sc= -1.43 USER MOD Single : A 85 CYS SG : rot 106:sc= -9.78! USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 30:sc= 0.0877 USER MOD Single : A 106 MET CE :methyl -117:sc= -7.05! (180deg=-12.2!) USER MOD Single : A 107 THR OG1 : rot -89:sc= -0.295 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.1) USER MOD Single : A 111 THR OG1 : rot -78:sc= 0.642 USER MOD Single : A 112 GLN : amide:sc=-0.00383 X(o=-0.0038,f=-0.35) USER MOD Single : A 115 ASN : amide:sc= -0.0484 X(o=-0.048,f=-0.066) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -164:sc= -0.468 USER MOD Single : A 127 SER OG : rot 180:sc= -0.0902 USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 11 0.573 18.640 -4.476 1.00 0.00 N ATOM 102 CA SER A 11 0.975 17.279 -4.138 1.00 0.00 C ATOM 103 C SER A 11 0.882 16.365 -5.356 1.00 0.00 C ATOM 104 O SER A 11 0.303 16.732 -6.378 1.00 0.00 O ATOM 105 CB SER A 11 0.102 16.732 -3.006 1.00 0.00 C ATOM 106 OG SER A 11 -1.130 16.238 -3.502 1.00 0.00 O ATOM 0 HA SER A 11 2.013 17.306 -3.806 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.633 15.935 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.086 17.519 -2.276 1.00 0.00 H new ATOM 0 HG SER A 11 -1.667 15.893 -2.758 1.00 0.00 H new ATOM 111 N GLN A 12 1.456 15.172 -5.239 1.00 0.00 N ATOM 112 CA GLN A 12 1.438 14.205 -6.331 1.00 0.00 C ATOM 113 C GLN A 12 0.579 12.997 -5.974 1.00 0.00 C ATOM 114 O GLN A 12 0.257 12.774 -4.807 1.00 0.00 O ATOM 115 CB GLN A 12 2.861 13.754 -6.665 1.00 0.00 C ATOM 116 CG GLN A 12 3.706 13.447 -5.440 1.00 0.00 C ATOM 117 CD GLN A 12 4.673 14.565 -5.104 1.00 0.00 C ATOM 118 OE1 GLN A 12 4.289 15.583 -4.527 1.00 0.00 O ATOM 119 NE2 GLN A 12 5.938 14.383 -5.466 1.00 0.00 N ATOM 0 H GLN A 12 1.939 14.852 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 12 1.004 14.690 -7.205 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.813 12.866 -7.295 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.352 14.532 -7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.051 13.269 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.265 12.527 -5.610 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.214 13.524 -5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.634 15.102 -5.268 1.00 0.00 H new ATOM 128 N HIS A 13 0.211 12.220 -6.987 1.00 0.00 N ATOM 129 CA HIS A 13 -0.613 11.035 -6.782 1.00 0.00 C ATOM 130 C HIS A 13 -0.097 9.864 -7.613 1.00 0.00 C ATOM 131 O HIS A 13 -0.430 9.732 -8.791 1.00 0.00 O ATOM 132 CB HIS A 13 -2.068 11.331 -7.147 1.00 0.00 C ATOM 133 CG HIS A 13 -2.739 12.281 -6.204 1.00 0.00 C ATOM 134 ND1 HIS A 13 -3.766 13.120 -6.584 1.00 0.00 N ATOM 135 CD2 HIS A 13 -2.526 12.522 -4.889 1.00 0.00 C ATOM 136 CE1 HIS A 13 -4.155 13.836 -5.543 1.00 0.00 C ATOM 137 NE2 HIS A 13 -3.419 13.492 -4.503 1.00 0.00 N ATOM 0 H HIS A 13 0.471 12.390 -7.959 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.558 10.762 -5.728 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.104 11.745 -8.155 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.627 10.395 -7.167 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.791 12.041 -4.260 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.941 14.576 -5.544 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -3.500 13.883 -3.564 1.00 0.00 H new ATOM 146 N PHE A 14 0.716 9.015 -6.992 1.00 0.00 N ATOM 147 CA PHE A 14 1.274 7.853 -7.675 1.00 0.00 C ATOM 148 C PHE A 14 0.304 6.677 -7.624 1.00 0.00 C ATOM 149 O PHE A 14 0.032 6.130 -6.555 1.00 0.00 O ATOM 150 CB PHE A 14 2.611 7.458 -7.046 1.00 0.00 C ATOM 151 CG PHE A 14 3.770 8.277 -7.538 1.00 0.00 C ATOM 152 CD1 PHE A 14 4.397 7.966 -8.734 1.00 0.00 C ATOM 153 CD2 PHE A 14 4.234 9.357 -6.804 1.00 0.00 C ATOM 154 CE1 PHE A 14 5.463 8.717 -9.189 1.00 0.00 C ATOM 155 CE2 PHE A 14 5.300 10.112 -7.255 1.00 0.00 C ATOM 156 CZ PHE A 14 5.915 9.792 -8.449 1.00 0.00 C ATOM 0 H PHE A 14 1.003 9.110 -6.018 1.00 0.00 H new ATOM 0 HA PHE A 14 1.439 8.119 -8.719 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.538 7.560 -5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.805 6.406 -7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.048 7.127 -9.317 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.757 9.612 -5.869 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.943 8.464 -10.123 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.652 10.952 -6.674 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.748 10.381 -8.804 1.00 0.00 H new ATOM 166 N ASN A 15 -0.218 6.296 -8.786 1.00 0.00 N ATOM 167 CA ASN A 15 -1.162 5.186 -8.876 1.00 0.00 C ATOM 168 C ASN A 15 -0.602 3.928 -8.221 1.00 0.00 C ATOM 169 O ASN A 15 0.436 3.410 -8.632 1.00 0.00 O ATOM 170 CB ASN A 15 -1.508 4.903 -10.340 1.00 0.00 C ATOM 171 CG ASN A 15 -2.977 4.586 -10.535 1.00 0.00 C ATOM 172 OD1 ASN A 15 -3.479 3.581 -10.035 1.00 0.00 O ATOM 173 ND2 ASN A 15 -3.675 5.447 -11.268 1.00 0.00 N ATOM 0 H ASN A 15 -0.003 6.740 -9.679 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.067 5.473 -8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.242 5.768 -10.947 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.908 4.066 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.668 5.287 -11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.217 6.268 -11.664 1.00 0.00 H new ATOM 180 N LEU A 16 -1.300 3.439 -7.200 1.00 0.00 N ATOM 181 CA LEU A 16 -0.876 2.239 -6.487 1.00 0.00 C ATOM 182 C LEU A 16 -1.630 1.015 -6.994 1.00 0.00 C ATOM 183 O LEU A 16 -2.851 1.049 -7.152 1.00 0.00 O ATOM 184 CB LEU A 16 -1.105 2.408 -4.984 1.00 0.00 C ATOM 185 CG LEU A 16 -0.455 1.338 -4.103 1.00 0.00 C ATOM 186 CD1 LEU A 16 1.058 1.342 -4.279 1.00 0.00 C ATOM 187 CD2 LEU A 16 -0.827 1.554 -2.644 1.00 0.00 C ATOM 0 H LEU A 16 -2.162 3.856 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 16 0.188 2.091 -6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.726 3.384 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.178 2.410 -4.794 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.830 0.363 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.500 0.574 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.304 1.137 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.454 2.318 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.357 0.785 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.481 2.536 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.910 1.496 -2.532 1.00 0.00 H new ATOM 199 N ASN A 17 -0.899 -0.065 -7.249 1.00 0.00 N ATOM 200 CA ASN A 17 -1.505 -1.297 -7.738 1.00 0.00 C ATOM 201 C ASN A 17 -0.739 -2.521 -7.246 1.00 0.00 C ATOM 202 O ASN A 17 0.492 -2.539 -7.248 1.00 0.00 O ATOM 203 CB ASN A 17 -1.552 -1.294 -9.267 1.00 0.00 C ATOM 204 CG ASN A 17 -2.155 -0.018 -9.824 1.00 0.00 C ATOM 205 OD1 ASN A 17 -1.447 0.951 -10.092 1.00 0.00 O ATOM 206 ND2 ASN A 17 -3.472 -0.013 -9.999 1.00 0.00 N ATOM 0 H ASN A 17 0.112 -0.112 -7.125 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.521 -1.348 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.542 -1.417 -9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.134 -2.149 -9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.934 0.818 -10.369 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.021 -0.840 -9.763 1.00 0.00 H new ATOM 213 N PHE A 18 -1.479 -3.544 -6.829 1.00 0.00 N ATOM 214 CA PHE A 18 -0.875 -4.778 -6.336 1.00 0.00 C ATOM 215 C PHE A 18 -1.948 -5.803 -5.986 1.00 0.00 C ATOM 216 O PHE A 18 -2.836 -5.536 -5.175 1.00 0.00 O ATOM 217 CB PHE A 18 0.000 -4.494 -5.113 1.00 0.00 C ATOM 218 CG PHE A 18 -0.766 -3.973 -3.931 1.00 0.00 C ATOM 219 CD1 PHE A 18 -1.334 -2.710 -3.960 1.00 0.00 C ATOM 220 CD2 PHE A 18 -0.916 -4.747 -2.791 1.00 0.00 C ATOM 221 CE1 PHE A 18 -2.038 -2.227 -2.874 1.00 0.00 C ATOM 222 CE2 PHE A 18 -1.620 -4.268 -1.701 1.00 0.00 C ATOM 223 CZ PHE A 18 -2.182 -3.007 -1.744 1.00 0.00 C ATOM 0 H PHE A 18 -2.499 -3.543 -6.823 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.249 -5.189 -7.128 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.516 -5.410 -4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.767 -3.769 -5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.225 -2.096 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.479 -5.734 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.475 -1.240 -2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.730 -4.879 -0.817 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.733 -2.632 -0.895 1.00 0.00 H new ATOM 233 N THR A 19 -1.863 -6.976 -6.605 1.00 0.00 N ATOM 234 CA THR A 19 -2.829 -8.041 -6.362 1.00 0.00 C ATOM 235 C THR A 19 -2.584 -8.706 -5.010 1.00 0.00 C ATOM 236 O THR A 19 -1.454 -9.065 -4.680 1.00 0.00 O ATOM 237 CB THR A 19 -2.757 -9.085 -7.478 1.00 0.00 C ATOM 238 OG1 THR A 19 -2.860 -8.469 -8.749 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.844 -10.134 -7.387 1.00 0.00 C ATOM 0 H THR A 19 -1.135 -7.213 -7.279 1.00 0.00 H new ATOM 0 HA THR A 19 -3.825 -7.597 -6.350 1.00 0.00 H new ATOM 0 HB THR A 19 -1.791 -9.574 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.810 -9.153 -9.449 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.735 -10.843 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.761 -10.663 -6.437 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.820 -9.653 -7.450 1.00 0.00 H new ATOM 247 N ILE A 20 -3.652 -8.869 -4.235 1.00 0.00 N ATOM 248 CA ILE A 20 -3.556 -9.494 -2.922 1.00 0.00 C ATOM 249 C ILE A 20 -4.003 -10.951 -2.973 1.00 0.00 C ATOM 250 O ILE A 20 -5.197 -11.246 -2.919 1.00 0.00 O ATOM 251 CB ILE A 20 -4.406 -8.742 -1.877 1.00 0.00 C ATOM 252 CG1 ILE A 20 -4.032 -7.259 -1.853 1.00 0.00 C ATOM 253 CG2 ILE A 20 -4.230 -9.363 -0.496 1.00 0.00 C ATOM 254 CD1 ILE A 20 -5.032 -6.394 -1.117 1.00 0.00 C ATOM 0 H ILE A 20 -4.594 -8.576 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.508 -9.449 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.456 -8.828 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.054 -7.147 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.938 -6.900 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.837 -8.819 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.545 -10.406 -0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.181 -9.309 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.702 -5.356 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.007 -6.476 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.109 -6.727 -0.082 1.00 0.00 H new ATOM 266 N THR A 21 -3.037 -11.859 -3.075 1.00 0.00 N ATOM 267 CA THR A 21 -3.328 -13.287 -3.132 1.00 0.00 C ATOM 268 C THR A 21 -4.194 -13.720 -1.951 1.00 0.00 C ATOM 269 O THR A 21 -4.930 -14.704 -2.039 1.00 0.00 O ATOM 270 CB THR A 21 -2.027 -14.092 -3.148 1.00 0.00 C ATOM 271 OG1 THR A 21 -1.179 -13.696 -2.084 1.00 0.00 O ATOM 272 CG2 THR A 21 -1.248 -13.945 -4.436 1.00 0.00 C ATOM 0 H THR A 21 -2.044 -11.630 -3.120 1.00 0.00 H new ATOM 0 HA THR A 21 -3.881 -13.481 -4.051 1.00 0.00 H new ATOM 0 HB THR A 21 -2.331 -15.134 -3.044 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.653 -13.062 -1.507 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.337 -14.541 -4.380 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.857 -14.290 -5.271 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.987 -12.897 -4.586 1.00 0.00 H new ATOM 280 N ASN A 22 -4.103 -12.982 -0.849 1.00 0.00 N ATOM 281 CA ASN A 22 -4.881 -13.292 0.345 1.00 0.00 C ATOM 282 C ASN A 22 -6.249 -12.616 0.292 1.00 0.00 C ATOM 283 O ASN A 22 -6.645 -11.918 1.226 1.00 0.00 O ATOM 284 CB ASN A 22 -4.126 -12.851 1.600 1.00 0.00 C ATOM 285 CG ASN A 22 -4.445 -13.718 2.803 1.00 0.00 C ATOM 286 OD1 ASN A 22 -4.421 -14.946 2.721 1.00 0.00 O ATOM 287 ND2 ASN A 22 -4.748 -13.081 3.928 1.00 0.00 N ATOM 0 H ASN A 22 -3.498 -12.165 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.031 -14.371 0.383 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.054 -12.884 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.377 -11.815 1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.973 -13.611 4.770 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.756 -12.061 3.950 1.00 0.00 H new ATOM 294 N LEU A 23 -6.965 -12.829 -0.806 1.00 0.00 N ATOM 295 CA LEU A 23 -8.287 -12.243 -0.986 1.00 0.00 C ATOM 296 C LEU A 23 -8.937 -12.760 -2.269 1.00 0.00 C ATOM 297 O LEU A 23 -8.798 -12.153 -3.331 1.00 0.00 O ATOM 298 CB LEU A 23 -8.189 -10.716 -1.030 1.00 0.00 C ATOM 299 CG LEU A 23 -9.419 -9.972 -0.506 1.00 0.00 C ATOM 300 CD1 LEU A 23 -10.629 -10.257 -1.381 1.00 0.00 C ATOM 301 CD2 LEU A 23 -9.700 -10.361 0.938 1.00 0.00 C ATOM 0 H LEU A 23 -6.651 -13.405 -1.587 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.908 -12.535 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.321 -10.406 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.009 -10.408 -2.060 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.215 -8.902 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.494 -9.719 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.426 -9.929 -2.401 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.836 -11.327 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.578 -9.823 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.883 -11.434 0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.840 -10.105 1.558 1.00 0.00 H new ATOM 313 N PRO A 24 -9.656 -13.893 -2.187 1.00 0.00 N ATOM 314 CA PRO A 24 -10.325 -14.488 -3.350 1.00 0.00 C ATOM 315 C PRO A 24 -11.421 -13.590 -3.910 1.00 0.00 C ATOM 316 O PRO A 24 -12.314 -13.155 -3.184 1.00 0.00 O ATOM 317 CB PRO A 24 -10.924 -15.787 -2.801 1.00 0.00 C ATOM 318 CG PRO A 24 -11.024 -15.575 -1.330 1.00 0.00 C ATOM 319 CD PRO A 24 -9.873 -14.683 -0.961 1.00 0.00 C ATOM 0 HA PRO A 24 -9.633 -14.643 -4.178 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.902 -15.986 -3.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.291 -16.643 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.976 -15.113 -1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.970 -16.523 -0.795 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.113 -14.047 -0.109 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.988 -15.258 -0.690 1.00 0.00 H new ATOM 327 N TYR A 25 -11.346 -13.316 -5.210 1.00 0.00 N ATOM 328 CA TYR A 25 -12.331 -12.469 -5.872 1.00 0.00 C ATOM 329 C TYR A 25 -13.716 -13.106 -5.825 1.00 0.00 C ATOM 330 O TYR A 25 -14.042 -13.966 -6.643 1.00 0.00 O ATOM 331 CB TYR A 25 -11.921 -12.217 -7.324 1.00 0.00 C ATOM 332 CG TYR A 25 -12.632 -11.043 -7.960 1.00 0.00 C ATOM 333 CD1 TYR A 25 -12.455 -9.754 -7.476 1.00 0.00 C ATOM 334 CD2 TYR A 25 -13.479 -11.226 -9.047 1.00 0.00 C ATOM 335 CE1 TYR A 25 -13.102 -8.679 -8.056 1.00 0.00 C ATOM 336 CE2 TYR A 25 -14.130 -10.157 -9.631 1.00 0.00 C ATOM 337 CZ TYR A 25 -13.938 -8.886 -9.133 1.00 0.00 C ATOM 338 OH TYR A 25 -14.584 -7.818 -9.713 1.00 0.00 O ATOM 0 H TYR A 25 -10.613 -13.669 -5.825 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.372 -11.517 -5.342 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.845 -12.045 -7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.122 -13.114 -7.910 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.801 -9.588 -6.633 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.630 -12.220 -9.441 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.954 -7.682 -7.668 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -14.786 -10.316 -10.474 1.00 0.00 H new ATOM 0 HH TYR A 25 -15.134 -8.135 -10.460 1.00 0.00 H new ATOM 348 N SER A 26 -14.527 -12.678 -4.864 1.00 0.00 N ATOM 349 CA SER A 26 -15.878 -13.206 -4.712 1.00 0.00 C ATOM 350 C SER A 26 -16.913 -12.204 -5.213 1.00 0.00 C ATOM 351 O SER A 26 -16.592 -11.047 -5.483 1.00 0.00 O ATOM 352 CB SER A 26 -16.152 -13.550 -3.247 1.00 0.00 C ATOM 353 OG SER A 26 -17.265 -14.419 -3.126 1.00 0.00 O ATOM 0 H SER A 26 -14.273 -11.967 -4.178 1.00 0.00 H new ATOM 0 HA SER A 26 -15.956 -14.113 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.271 -14.020 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.338 -12.635 -2.684 1.00 0.00 H new ATOM 0 HG SER A 26 -17.418 -14.624 -2.180 1.00 0.00 H new ATOM 359 N GLN A 27 -18.157 -12.657 -5.337 1.00 0.00 N ATOM 360 CA GLN A 27 -19.239 -11.800 -5.807 1.00 0.00 C ATOM 361 C GLN A 27 -19.402 -10.580 -4.904 1.00 0.00 C ATOM 362 O GLN A 27 -19.847 -9.522 -5.347 1.00 0.00 O ATOM 363 CB GLN A 27 -20.551 -12.584 -5.866 1.00 0.00 C ATOM 364 CG GLN A 27 -21.035 -13.068 -4.509 1.00 0.00 C ATOM 365 CD GLN A 27 -20.497 -14.441 -4.154 1.00 0.00 C ATOM 366 OE1 GLN A 27 -20.462 -15.343 -4.992 1.00 0.00 O ATOM 367 NE2 GLN A 27 -20.074 -14.606 -2.906 1.00 0.00 N ATOM 0 H GLN A 27 -18.440 -13.612 -5.119 1.00 0.00 H new ATOM 0 HA GLN A 27 -18.984 -11.455 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -21.320 -11.954 -6.313 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -20.421 -13.444 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -20.732 -12.354 -3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -22.125 -13.096 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -20.122 -13.831 -2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.702 -15.508 -2.609 1.00 0.00 H new ATOM 376 N ASP A 28 -19.039 -10.736 -3.634 1.00 0.00 N ATOM 377 CA ASP A 28 -19.145 -9.648 -2.670 1.00 0.00 C ATOM 378 C ASP A 28 -18.151 -8.537 -2.991 1.00 0.00 C ATOM 379 O ASP A 28 -18.498 -7.356 -2.979 1.00 0.00 O ATOM 380 CB ASP A 28 -18.903 -10.170 -1.252 1.00 0.00 C ATOM 381 CG ASP A 28 -20.174 -10.669 -0.596 1.00 0.00 C ATOM 382 OD1 ASP A 28 -21.255 -10.120 -0.899 1.00 0.00 O ATOM 383 OD2 ASP A 28 -20.091 -11.611 0.222 1.00 0.00 O ATOM 0 H ASP A 28 -18.669 -11.605 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 28 -20.153 -9.238 -2.732 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -18.173 -10.979 -1.285 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -18.471 -9.375 -0.644 1.00 0.00 H new ATOM 388 N ILE A 29 -16.912 -8.923 -3.281 1.00 0.00 N ATOM 389 CA ILE A 29 -15.868 -7.960 -3.607 1.00 0.00 C ATOM 390 C ILE A 29 -16.142 -7.281 -4.945 1.00 0.00 C ATOM 391 O ILE A 29 -15.731 -6.144 -5.171 1.00 0.00 O ATOM 392 CB ILE A 29 -14.481 -8.630 -3.657 1.00 0.00 C ATOM 393 CG1 ILE A 29 -14.246 -9.465 -2.397 1.00 0.00 C ATOM 394 CG2 ILE A 29 -13.390 -7.580 -3.815 1.00 0.00 C ATOM 395 CD1 ILE A 29 -14.359 -8.670 -1.115 1.00 0.00 C ATOM 0 H ILE A 29 -16.607 -9.896 -3.297 1.00 0.00 H new ATOM 0 HA ILE A 29 -15.873 -7.210 -2.816 1.00 0.00 H new ATOM 0 HB ILE A 29 -14.447 -9.294 -4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -14.967 -10.282 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.255 -9.916 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.416 -8.069 -3.849 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.550 -7.026 -4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.422 -6.892 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -14.181 -9.326 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -13.620 -7.869 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -15.358 -8.241 -1.040 1.00 0.00 H new ATOM 407 N ALA A 30 -16.840 -7.987 -5.830 1.00 0.00 N ATOM 408 CA ALA A 30 -17.169 -7.451 -7.146 1.00 0.00 C ATOM 409 C ALA A 30 -18.250 -6.375 -7.058 1.00 0.00 C ATOM 410 O ALA A 30 -18.532 -5.689 -8.040 1.00 0.00 O ATOM 411 CB ALA A 30 -17.614 -8.571 -8.073 1.00 0.00 C ATOM 0 H ALA A 30 -17.188 -8.930 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 30 -16.270 -6.987 -7.552 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -17.857 -8.158 -9.052 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -16.810 -9.299 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -18.495 -9.059 -7.657 1.00 0.00 H new ATOM 417 N GLN A 31 -18.856 -6.230 -5.882 1.00 0.00 N ATOM 418 CA GLN A 31 -19.903 -5.236 -5.679 1.00 0.00 C ATOM 419 C GLN A 31 -19.561 -4.312 -4.509 1.00 0.00 C ATOM 420 O GLN A 31 -19.584 -4.734 -3.354 1.00 0.00 O ATOM 421 CB GLN A 31 -21.244 -5.927 -5.419 1.00 0.00 C ATOM 422 CG GLN A 31 -22.057 -6.171 -6.680 1.00 0.00 C ATOM 423 CD GLN A 31 -22.963 -5.004 -7.023 1.00 0.00 C ATOM 424 OE1 GLN A 31 -22.715 -3.870 -6.614 1.00 0.00 O ATOM 425 NE2 GLN A 31 -24.021 -5.279 -7.777 1.00 0.00 N ATOM 0 H GLN A 31 -18.639 -6.789 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 31 -19.978 -4.634 -6.584 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -21.062 -6.881 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -21.830 -5.318 -4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -21.380 -6.359 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -22.661 -7.069 -6.551 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -24.187 -6.234 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -24.667 -4.535 -8.040 1.00 0.00 H new ATOM 434 N PRO A 32 -19.234 -3.035 -4.792 1.00 0.00 N ATOM 435 CA PRO A 32 -18.884 -2.059 -3.754 1.00 0.00 C ATOM 436 C PRO A 32 -20.074 -1.705 -2.864 1.00 0.00 C ATOM 437 O PRO A 32 -20.506 -0.554 -2.810 1.00 0.00 O ATOM 438 CB PRO A 32 -18.423 -0.823 -4.543 1.00 0.00 C ATOM 439 CG PRO A 32 -18.234 -1.290 -5.946 1.00 0.00 C ATOM 440 CD PRO A 32 -19.172 -2.444 -6.135 1.00 0.00 C ATOM 0 HA PRO A 32 -18.124 -2.451 -3.078 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -19.165 -0.026 -4.492 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -17.495 -0.421 -4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.453 -0.491 -6.655 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -17.202 -1.595 -6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -20.153 -2.116 -6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -18.797 -3.154 -6.872 1.00 0.00 H new ATOM 448 N SER A 33 -20.599 -2.706 -2.168 1.00 0.00 N ATOM 449 CA SER A 33 -21.737 -2.506 -1.280 1.00 0.00 C ATOM 450 C SER A 33 -21.995 -3.751 -0.436 1.00 0.00 C ATOM 451 O SER A 33 -23.142 -4.079 -0.131 1.00 0.00 O ATOM 452 CB SER A 33 -22.988 -2.155 -2.088 1.00 0.00 C ATOM 453 OG SER A 33 -23.963 -1.530 -1.273 1.00 0.00 O ATOM 0 H SER A 33 -20.254 -3.665 -2.202 1.00 0.00 H new ATOM 0 HA SER A 33 -21.502 -1.678 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 33 -22.719 -1.493 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 33 -23.405 -3.060 -2.530 1.00 0.00 H new ATOM 0 HG SER A 33 -24.175 -2.111 -0.513 1.00 0.00 H new ATOM 459 N THR A 34 -20.922 -4.439 -0.063 1.00 0.00 N ATOM 460 CA THR A 34 -21.031 -5.649 0.745 1.00 0.00 C ATOM 461 C THR A 34 -20.116 -5.574 1.962 1.00 0.00 C ATOM 462 O THR A 34 -19.474 -4.552 2.207 1.00 0.00 O ATOM 463 CB THR A 34 -20.687 -6.880 -0.094 1.00 0.00 C ATOM 464 OG1 THR A 34 -19.303 -6.912 -0.394 1.00 0.00 O ATOM 465 CG2 THR A 34 -21.443 -6.942 -1.404 1.00 0.00 C ATOM 0 H THR A 34 -19.966 -4.180 -0.307 1.00 0.00 H new ATOM 0 HA THR A 34 -22.061 -5.733 1.093 1.00 0.00 H new ATOM 0 HB THR A 34 -20.978 -7.735 0.516 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.180 -6.953 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.152 -7.839 -1.950 1.00 0.00 H new ATOM 0 HG22 THR A 34 -22.514 -6.970 -1.205 1.00 0.00 H new ATOM 0 HG23 THR A 34 -21.208 -6.061 -2.002 1.00 0.00 H new ATOM 473 N THR A 35 -20.061 -6.661 2.725 1.00 0.00 N ATOM 474 CA THR A 35 -19.227 -6.716 3.918 1.00 0.00 C ATOM 475 C THR A 35 -17.784 -7.066 3.564 1.00 0.00 C ATOM 476 O THR A 35 -16.852 -6.366 3.958 1.00 0.00 O ATOM 477 CB THR A 35 -19.784 -7.741 4.908 1.00 0.00 C ATOM 478 OG1 THR A 35 -21.182 -7.579 5.064 1.00 0.00 O ATOM 479 CG2 THR A 35 -19.155 -7.650 6.282 1.00 0.00 C ATOM 0 H THR A 35 -20.585 -7.516 2.537 1.00 0.00 H new ATOM 0 HA THR A 35 -19.237 -5.729 4.381 1.00 0.00 H new ATOM 0 HB THR A 35 -19.544 -8.715 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.520 -8.244 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.595 -8.404 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 35 -18.081 -7.821 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 35 -19.335 -6.659 6.700 1.00 0.00 H new ATOM 487 N LYS A 36 -17.607 -8.154 2.820 1.00 0.00 N ATOM 488 CA LYS A 36 -16.276 -8.597 2.417 1.00 0.00 C ATOM 489 C LYS A 36 -15.543 -7.503 1.647 1.00 0.00 C ATOM 490 O LYS A 36 -14.315 -7.429 1.673 1.00 0.00 O ATOM 491 CB LYS A 36 -16.373 -9.861 1.560 1.00 0.00 C ATOM 492 CG LYS A 36 -15.164 -10.774 1.688 1.00 0.00 C ATOM 493 CD LYS A 36 -15.371 -12.083 0.943 1.00 0.00 C ATOM 494 CE LYS A 36 -14.257 -13.074 1.240 1.00 0.00 C ATOM 495 NZ LYS A 36 -14.768 -14.469 1.345 1.00 0.00 N ATOM 0 H LYS A 36 -18.368 -8.745 2.484 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.709 -8.820 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.268 -10.415 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.493 -9.574 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.282 -10.268 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.973 -10.980 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -16.330 -12.516 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.412 -11.890 -0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.505 -13.021 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.764 -12.797 2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.978 -15.114 1.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.467 -14.526 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.216 -14.743 0.448 1.00 0.00 H new ATOM 509 N TYR A 37 -16.304 -6.654 0.962 1.00 0.00 N ATOM 510 CA TYR A 37 -15.725 -5.565 0.185 1.00 0.00 C ATOM 511 C TYR A 37 -15.296 -4.416 1.094 1.00 0.00 C ATOM 512 O TYR A 37 -14.173 -3.922 0.998 1.00 0.00 O ATOM 513 CB TYR A 37 -16.730 -5.061 -0.853 1.00 0.00 C ATOM 514 CG TYR A 37 -16.217 -3.911 -1.689 1.00 0.00 C ATOM 515 CD1 TYR A 37 -15.533 -4.141 -2.876 1.00 0.00 C ATOM 516 CD2 TYR A 37 -16.418 -2.596 -1.292 1.00 0.00 C ATOM 517 CE1 TYR A 37 -15.062 -3.093 -3.644 1.00 0.00 C ATOM 518 CE2 TYR A 37 -15.952 -1.541 -2.054 1.00 0.00 C ATOM 519 CZ TYR A 37 -15.275 -1.795 -3.229 1.00 0.00 C ATOM 520 OH TYR A 37 -14.809 -0.748 -3.991 1.00 0.00 O ATOM 0 H TYR A 37 -17.322 -6.700 0.930 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.843 -5.947 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.001 -5.885 -1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.641 -4.749 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.366 -5.156 -3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -16.947 -2.394 -0.373 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.530 -3.289 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.117 -0.524 -1.731 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.237 0.084 -3.700 1.00 0.00 H new ATOM 530 N GLN A 38 -16.197 -3.997 1.976 1.00 0.00 N ATOM 531 CA GLN A 38 -15.913 -2.907 2.901 1.00 0.00 C ATOM 532 C GLN A 38 -14.890 -3.332 3.950 1.00 0.00 C ATOM 533 O GLN A 38 -14.114 -2.512 4.442 1.00 0.00 O ATOM 534 CB GLN A 38 -17.200 -2.443 3.585 1.00 0.00 C ATOM 535 CG GLN A 38 -18.280 -2.000 2.612 1.00 0.00 C ATOM 536 CD GLN A 38 -18.364 -0.491 2.481 1.00 0.00 C ATOM 537 OE1 GLN A 38 -17.934 0.244 3.368 1.00 0.00 O ATOM 538 NE2 GLN A 38 -18.920 -0.024 1.369 1.00 0.00 N ATOM 0 H GLN A 38 -17.131 -4.396 2.069 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.494 -2.079 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -17.588 -3.255 4.200 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -16.967 -1.617 4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.082 -2.436 1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -19.244 -2.386 2.944 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.263 -0.672 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -19.004 0.982 1.224 1.00 0.00 H new ATOM 547 N GLN A 39 -14.896 -4.616 4.291 1.00 0.00 N ATOM 548 CA GLN A 39 -13.969 -5.149 5.284 1.00 0.00 C ATOM 549 C GLN A 39 -12.559 -5.260 4.713 1.00 0.00 C ATOM 550 O GLN A 39 -11.579 -4.948 5.389 1.00 0.00 O ATOM 551 CB GLN A 39 -14.442 -6.520 5.772 1.00 0.00 C ATOM 552 CG GLN A 39 -15.381 -6.451 6.965 1.00 0.00 C ATOM 553 CD GLN A 39 -15.149 -7.576 7.954 1.00 0.00 C ATOM 554 OE1 GLN A 39 -14.026 -8.054 8.115 1.00 0.00 O ATOM 555 NE2 GLN A 39 -16.212 -8.004 8.624 1.00 0.00 N ATOM 0 H GLN A 39 -15.532 -5.308 3.895 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.946 -4.458 6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.946 -7.034 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.573 -7.121 6.039 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.250 -5.494 7.471 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -16.412 -6.488 6.614 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -17.124 -7.579 8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -16.117 -8.758 9.304 1.00 0.00 H new ATOM 564 N THR A 40 -12.464 -5.707 3.465 1.00 0.00 N ATOM 565 CA THR A 40 -11.173 -5.860 2.805 1.00 0.00 C ATOM 566 C THR A 40 -10.577 -4.502 2.449 1.00 0.00 C ATOM 567 O THR A 40 -9.401 -4.243 2.708 1.00 0.00 O ATOM 568 CB THR A 40 -11.320 -6.712 1.543 1.00 0.00 C ATOM 569 OG1 THR A 40 -11.882 -7.975 1.854 1.00 0.00 O ATOM 570 CG2 THR A 40 -10.008 -6.957 0.830 1.00 0.00 C ATOM 0 H THR A 40 -13.265 -5.969 2.891 1.00 0.00 H new ATOM 0 HA THR A 40 -10.497 -6.361 3.498 1.00 0.00 H new ATOM 0 HB THR A 40 -11.972 -6.140 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.793 -8.025 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 40 -10.184 -7.567 -0.056 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.572 -6.003 0.533 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.322 -7.477 1.499 1.00 0.00 H new ATOM 578 N LYS A 41 -11.395 -3.639 1.856 1.00 0.00 N ATOM 579 CA LYS A 41 -10.946 -2.307 1.465 1.00 0.00 C ATOM 580 C LYS A 41 -10.433 -1.528 2.671 1.00 0.00 C ATOM 581 O LYS A 41 -9.352 -0.939 2.629 1.00 0.00 O ATOM 582 CB LYS A 41 -12.087 -1.538 0.794 1.00 0.00 C ATOM 583 CG LYS A 41 -11.653 -0.215 0.185 1.00 0.00 C ATOM 584 CD LYS A 41 -12.844 0.582 -0.324 1.00 0.00 C ATOM 585 CE LYS A 41 -13.005 0.448 -1.832 1.00 0.00 C ATOM 586 NZ LYS A 41 -13.025 1.774 -2.510 1.00 0.00 N ATOM 0 H LYS A 41 -12.371 -3.837 1.636 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.127 -2.422 0.755 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.525 -2.161 0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.870 -1.351 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.114 0.370 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.961 -0.401 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.752 0.237 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.718 1.633 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.188 -0.152 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.929 -0.086 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.845 1.825 -3.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.094 2.528 -1.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.150 1.896 -3.059 1.00 0.00 H new ATOM 600 N ARG A 42 -11.215 -1.528 3.745 1.00 0.00 N ATOM 601 CA ARG A 42 -10.839 -0.821 4.964 1.00 0.00 C ATOM 602 C ARG A 42 -9.553 -1.394 5.553 1.00 0.00 C ATOM 603 O ARG A 42 -8.777 -0.679 6.186 1.00 0.00 O ATOM 604 CB ARG A 42 -11.967 -0.905 5.995 1.00 0.00 C ATOM 605 CG ARG A 42 -11.962 0.239 6.997 1.00 0.00 C ATOM 606 CD ARG A 42 -12.230 1.575 6.321 1.00 0.00 C ATOM 607 NE ARG A 42 -11.227 2.577 6.671 1.00 0.00 N ATOM 608 CZ ARG A 42 -11.072 3.076 7.895 1.00 0.00 C ATOM 609 NH1 ARG A 42 -11.852 2.667 8.889 1.00 0.00 N ATOM 610 NH2 ARG A 42 -10.136 3.986 8.127 1.00 0.00 N ATOM 0 H ARG A 42 -12.113 -2.009 3.796 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.665 0.224 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -12.924 -0.916 5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.886 -1.849 6.534 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.719 0.058 7.760 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.998 0.274 7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.243 1.438 5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.218 1.935 6.609 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.608 2.915 5.934 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -12.574 1.967 8.716 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.729 3.052 9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.534 4.304 7.367 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.018 4.368 9.065 1.00 0.00 H new ATOM 624 N SER A 43 -9.336 -2.688 5.340 1.00 0.00 N ATOM 625 CA SER A 43 -8.145 -3.356 5.851 1.00 0.00 C ATOM 626 C SER A 43 -6.898 -2.901 5.096 1.00 0.00 C ATOM 627 O SER A 43 -5.844 -2.685 5.693 1.00 0.00 O ATOM 628 CB SER A 43 -8.299 -4.875 5.738 1.00 0.00 C ATOM 629 OG SER A 43 -8.360 -5.479 7.019 1.00 0.00 O ATOM 0 H SER A 43 -9.969 -3.294 4.818 1.00 0.00 H new ATOM 0 HA SER A 43 -8.030 -3.086 6.901 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.204 -5.111 5.178 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.460 -5.288 5.178 1.00 0.00 H new ATOM 0 HG SER A 43 -8.331 -6.454 6.923 1.00 0.00 H new ATOM 635 N ILE A 44 -7.028 -2.758 3.781 1.00 0.00 N ATOM 636 CA ILE A 44 -5.912 -2.330 2.946 1.00 0.00 C ATOM 637 C ILE A 44 -5.570 -0.864 3.196 1.00 0.00 C ATOM 638 O ILE A 44 -4.407 -0.514 3.397 1.00 0.00 O ATOM 639 CB ILE A 44 -6.220 -2.526 1.448 1.00 0.00 C ATOM 640 CG1 ILE A 44 -6.702 -3.955 1.186 1.00 0.00 C ATOM 641 CG2 ILE A 44 -4.991 -2.216 0.608 1.00 0.00 C ATOM 642 CD1 ILE A 44 -7.585 -4.079 -0.036 1.00 0.00 C ATOM 0 H ILE A 44 -7.894 -2.932 3.271 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.059 -2.952 3.217 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.014 -1.836 1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.836 -4.606 1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.250 -4.311 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.226 -2.359 -0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.687 -1.183 0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.178 -2.884 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.889 -5.118 -0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -8.469 -3.454 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.033 -3.754 -0.918 1.00 0.00 H new ATOM 654 N GLU A 45 -6.589 -0.012 3.183 1.00 0.00 N ATOM 655 CA GLU A 45 -6.396 1.416 3.409 1.00 0.00 C ATOM 656 C GLU A 45 -5.776 1.670 4.780 1.00 0.00 C ATOM 657 O GLU A 45 -4.871 2.493 4.919 1.00 0.00 O ATOM 658 CB GLU A 45 -7.729 2.158 3.289 1.00 0.00 C ATOM 659 CG GLU A 45 -7.740 3.217 2.199 1.00 0.00 C ATOM 660 CD GLU A 45 -7.162 4.539 2.665 1.00 0.00 C ATOM 661 OE1 GLU A 45 -5.955 4.580 2.982 1.00 0.00 O ATOM 662 OE2 GLU A 45 -7.917 5.533 2.713 1.00 0.00 O ATOM 0 H GLU A 45 -7.558 -0.285 3.018 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.712 1.791 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.521 1.436 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.960 2.629 4.244 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.170 2.857 1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.764 3.372 1.858 1.00 0.00 H new ATOM 669 N ASN A 46 -6.269 0.958 5.788 1.00 0.00 N ATOM 670 CA ASN A 46 -5.763 1.106 7.148 1.00 0.00 C ATOM 671 C ASN A 46 -4.345 0.558 7.265 1.00 0.00 C ATOM 672 O ASN A 46 -3.454 1.221 7.796 1.00 0.00 O ATOM 673 CB ASN A 46 -6.683 0.388 8.136 1.00 0.00 C ATOM 674 CG ASN A 46 -6.267 0.607 9.578 1.00 0.00 C ATOM 675 OD1 ASN A 46 -5.813 1.690 9.947 1.00 0.00 O ATOM 676 ND2 ASN A 46 -6.419 -0.424 10.401 1.00 0.00 N ATOM 0 H ASN A 46 -7.018 0.273 5.689 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.742 2.169 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.705 0.740 7.998 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.682 -0.680 7.919 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.155 -0.336 11.382 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.800 -1.304 10.052 1.00 0.00 H new ATOM 683 N ALA A 47 -4.142 -0.657 6.766 1.00 0.00 N ATOM 684 CA ALA A 47 -2.832 -1.295 6.815 1.00 0.00 C ATOM 685 C ALA A 47 -1.809 -0.513 5.999 1.00 0.00 C ATOM 686 O ALA A 47 -0.621 -0.497 6.322 1.00 0.00 O ATOM 687 CB ALA A 47 -2.924 -2.728 6.314 1.00 0.00 C ATOM 0 H ALA A 47 -4.868 -1.219 6.323 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.499 -1.305 7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.939 -3.192 6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.617 -3.289 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.283 -2.731 5.285 1.00 0.00 H new ATOM 693 N LEU A 48 -2.278 0.137 4.939 1.00 0.00 N ATOM 694 CA LEU A 48 -1.404 0.921 4.074 1.00 0.00 C ATOM 695 C LEU A 48 -0.966 2.208 4.767 1.00 0.00 C ATOM 696 O LEU A 48 0.148 2.687 4.561 1.00 0.00 O ATOM 697 CB LEU A 48 -2.115 1.250 2.760 1.00 0.00 C ATOM 698 CG LEU A 48 -1.931 0.216 1.648 1.00 0.00 C ATOM 699 CD1 LEU A 48 -2.866 0.510 0.486 1.00 0.00 C ATOM 700 CD2 LEU A 48 -0.484 0.192 1.178 1.00 0.00 C ATOM 0 H LEU A 48 -3.259 0.136 4.658 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.516 0.326 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.181 1.361 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.755 2.215 2.402 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.179 -0.767 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.721 -0.236 -0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.899 0.476 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.650 1.501 0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.371 -0.549 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.209 1.175 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.166 -0.067 2.014 1.00 0.00 H new ATOM 712 N ASN A 49 -1.852 2.761 5.590 1.00 0.00 N ATOM 713 CA ASN A 49 -1.556 3.992 6.314 1.00 0.00 C ATOM 714 C ASN A 49 -0.395 3.788 7.283 1.00 0.00 C ATOM 715 O ASN A 49 0.456 4.663 7.442 1.00 0.00 O ATOM 716 CB ASN A 49 -2.797 4.470 7.073 1.00 0.00 C ATOM 717 CG ASN A 49 -3.320 5.794 6.553 1.00 0.00 C ATOM 718 OD1 ASN A 49 -2.800 6.856 6.894 1.00 0.00 O ATOM 719 ND2 ASN A 49 -4.354 5.736 5.722 1.00 0.00 N ATOM 0 H ASN A 49 -2.779 2.377 5.772 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.267 4.753 5.589 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.581 3.717 6.993 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.556 4.568 8.132 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.749 6.595 5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.753 4.833 5.467 1.00 0.00 H new ATOM 726 N GLN A 50 -0.369 2.626 7.927 1.00 0.00 N ATOM 727 CA GLN A 50 0.683 2.301 8.881 1.00 0.00 C ATOM 728 C GLN A 50 2.038 2.206 8.186 1.00 0.00 C ATOM 729 O GLN A 50 2.995 2.878 8.571 1.00 0.00 O ATOM 730 CB GLN A 50 0.360 0.980 9.581 1.00 0.00 C ATOM 731 CG GLN A 50 0.460 1.055 11.094 1.00 0.00 C ATOM 732 CD GLN A 50 1.783 0.533 11.619 1.00 0.00 C ATOM 733 OE1 GLN A 50 2.487 1.222 12.357 1.00 0.00 O ATOM 734 NE2 GLN A 50 2.130 -0.692 11.238 1.00 0.00 N ATOM 0 H GLN A 50 -1.067 1.892 7.805 1.00 0.00 H new ATOM 0 HA GLN A 50 0.734 3.099 9.622 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.648 0.670 9.307 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.040 0.210 9.218 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.330 2.090 11.412 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.354 0.481 11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.516 -1.229 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.010 -1.096 11.559 1.00 0.00 H new ATOM 743 N LEU A 51 2.111 1.361 7.162 1.00 0.00 N ATOM 744 CA LEU A 51 3.346 1.165 6.407 1.00 0.00 C ATOM 745 C LEU A 51 3.965 2.497 5.993 1.00 0.00 C ATOM 746 O LEU A 51 5.185 2.662 6.025 1.00 0.00 O ATOM 747 CB LEU A 51 3.075 0.310 5.167 1.00 0.00 C ATOM 748 CG LEU A 51 4.315 -0.325 4.534 1.00 0.00 C ATOM 749 CD1 LEU A 51 3.954 -1.638 3.857 1.00 0.00 C ATOM 750 CD2 LEU A 51 4.952 0.633 3.538 1.00 0.00 C ATOM 0 H LEU A 51 1.326 0.798 6.834 1.00 0.00 H new ATOM 0 HA LEU A 51 4.055 0.650 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.377 -0.483 5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.580 0.929 4.419 1.00 0.00 H new ATOM 0 HG LEU A 51 5.038 -0.533 5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.848 -2.076 3.412 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.541 -2.326 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.214 -1.454 3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.833 0.166 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.235 0.871 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.245 1.549 4.051 1.00 0.00 H new ATOM 762 N PHE A 52 3.119 3.445 5.602 1.00 0.00 N ATOM 763 CA PHE A 52 3.590 4.760 5.179 1.00 0.00 C ATOM 764 C PHE A 52 4.364 5.450 6.298 1.00 0.00 C ATOM 765 O PHE A 52 5.454 5.976 6.078 1.00 0.00 O ATOM 766 CB PHE A 52 2.411 5.636 4.747 1.00 0.00 C ATOM 767 CG PHE A 52 1.552 5.016 3.678 1.00 0.00 C ATOM 768 CD1 PHE A 52 2.104 4.186 2.716 1.00 0.00 C ATOM 769 CD2 PHE A 52 0.190 5.270 3.638 1.00 0.00 C ATOM 770 CE1 PHE A 52 1.313 3.618 1.735 1.00 0.00 C ATOM 771 CE2 PHE A 52 -0.604 4.705 2.659 1.00 0.00 C ATOM 772 CZ PHE A 52 -0.043 3.879 1.706 1.00 0.00 C ATOM 0 H PHE A 52 2.106 3.328 5.569 1.00 0.00 H new ATOM 0 HA PHE A 52 4.260 4.619 4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.792 5.851 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.793 6.590 4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.164 3.980 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.255 5.916 4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.755 2.971 0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.664 4.910 2.639 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.663 3.438 0.939 1.00 0.00 H new ATOM 782 N ARG A 53 3.793 5.445 7.498 1.00 0.00 N ATOM 783 CA ARG A 53 4.430 6.073 8.650 1.00 0.00 C ATOM 784 C ARG A 53 5.593 5.230 9.175 1.00 0.00 C ATOM 785 O ARG A 53 6.332 5.664 10.059 1.00 0.00 O ATOM 786 CB ARG A 53 3.405 6.298 9.764 1.00 0.00 C ATOM 787 CG ARG A 53 2.537 7.526 9.552 1.00 0.00 C ATOM 788 CD ARG A 53 1.486 7.666 10.643 1.00 0.00 C ATOM 789 NE ARG A 53 0.781 6.409 10.889 1.00 0.00 N ATOM 790 CZ ARG A 53 1.189 5.483 11.756 1.00 0.00 C ATOM 791 NH1 ARG A 53 2.299 5.661 12.461 1.00 0.00 N ATOM 792 NH2 ARG A 53 0.482 4.372 11.917 1.00 0.00 N ATOM 0 H ARG A 53 2.891 5.013 7.698 1.00 0.00 H new ATOM 0 HA ARG A 53 4.829 7.034 8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.765 5.419 9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 53 3.929 6.394 10.715 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.165 8.417 9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.047 7.462 8.580 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.962 8.001 11.564 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.768 8.435 10.358 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.076 6.230 10.365 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.848 6.512 12.342 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.603 4.946 13.122 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.372 4.228 11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.792 3.662 12.580 1.00 0.00 H new ATOM 806 N ASN A 54 5.753 4.026 8.631 1.00 0.00 N ATOM 807 CA ASN A 54 6.828 3.136 9.053 1.00 0.00 C ATOM 808 C ASN A 54 7.994 3.184 8.070 1.00 0.00 C ATOM 809 O ASN A 54 9.145 2.967 8.446 1.00 0.00 O ATOM 810 CB ASN A 54 6.312 1.702 9.180 1.00 0.00 C ATOM 811 CG ASN A 54 5.854 1.374 10.587 1.00 0.00 C ATOM 812 OD1 ASN A 54 6.671 1.194 11.492 1.00 0.00 O ATOM 813 ND2 ASN A 54 4.543 1.295 10.780 1.00 0.00 N ATOM 0 H ASN A 54 5.153 3.646 7.899 1.00 0.00 H new ATOM 0 HA ASN A 54 7.183 3.474 10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.483 1.555 8.488 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.100 1.008 8.886 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.176 1.078 11.707 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.903 1.452 10.002 1.00 0.00 H new ATOM 820 N SER A 55 7.687 3.471 6.808 1.00 0.00 N ATOM 821 CA SER A 55 8.711 3.547 5.771 1.00 0.00 C ATOM 822 C SER A 55 9.656 4.717 6.021 1.00 0.00 C ATOM 823 O SER A 55 9.468 5.492 6.959 1.00 0.00 O ATOM 824 CB SER A 55 8.061 3.686 4.393 1.00 0.00 C ATOM 825 OG SER A 55 7.172 4.788 4.357 1.00 0.00 O ATOM 0 H SER A 55 6.739 3.654 6.479 1.00 0.00 H new ATOM 0 HA SER A 55 9.291 2.624 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.833 3.813 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.521 2.771 4.148 1.00 0.00 H new ATOM 0 HG SER A 55 6.845 4.974 5.262 1.00 0.00 H new ATOM 831 N SER A 56 10.673 4.839 5.175 1.00 0.00 N ATOM 832 CA SER A 56 11.651 5.914 5.300 1.00 0.00 C ATOM 833 C SER A 56 11.122 7.212 4.692 1.00 0.00 C ATOM 834 O SER A 56 11.572 8.302 5.045 1.00 0.00 O ATOM 835 CB SER A 56 12.966 5.517 4.625 1.00 0.00 C ATOM 836 OG SER A 56 13.998 5.346 5.581 1.00 0.00 O ATOM 0 H SER A 56 10.842 4.205 4.394 1.00 0.00 H new ATOM 0 HA SER A 56 11.832 6.083 6.362 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.827 4.592 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.255 6.283 3.906 1.00 0.00 H new ATOM 0 HG SER A 56 14.827 5.091 5.125 1.00 0.00 H new ATOM 842 N ILE A 57 10.164 7.089 3.777 1.00 0.00 N ATOM 843 CA ILE A 57 9.578 8.253 3.123 1.00 0.00 C ATOM 844 C ILE A 57 8.327 8.726 3.860 1.00 0.00 C ATOM 845 O ILE A 57 7.300 9.011 3.243 1.00 0.00 O ATOM 846 CB ILE A 57 9.219 7.953 1.654 1.00 0.00 C ATOM 847 CG1 ILE A 57 8.211 6.805 1.574 1.00 0.00 C ATOM 848 CG2 ILE A 57 10.473 7.621 0.860 1.00 0.00 C ATOM 849 CD1 ILE A 57 7.746 6.506 0.165 1.00 0.00 C ATOM 0 H ILE A 57 9.778 6.195 3.473 1.00 0.00 H new ATOM 0 HA ILE A 57 10.329 9.042 3.148 1.00 0.00 H new ATOM 0 HB ILE A 57 8.762 8.842 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 57 8.661 5.907 1.998 1.00 0.00 H new ATOM 0 HG13 ILE A 57 7.345 7.049 2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.203 7.412 -0.175 1.00 0.00 H new ATOM 0 HG22 ILE A 57 11.159 8.468 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 57 10.957 6.746 1.293 1.00 0.00 H new ATOM 0 HD11 ILE A 57 7.033 5.682 0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.267 7.390 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.603 6.231 -0.450 1.00 0.00 H new ATOM 861 N LYS A 58 8.423 8.806 5.182 1.00 0.00 N ATOM 862 CA LYS A 58 7.301 9.244 6.006 1.00 0.00 C ATOM 863 C LYS A 58 7.397 10.736 6.309 1.00 0.00 C ATOM 864 O LYS A 58 7.091 11.176 7.417 1.00 0.00 O ATOM 865 CB LYS A 58 7.265 8.449 7.312 1.00 0.00 C ATOM 866 CG LYS A 58 8.596 8.430 8.045 1.00 0.00 C ATOM 867 CD LYS A 58 8.436 7.970 9.486 1.00 0.00 C ATOM 868 CE LYS A 58 8.594 9.124 10.462 1.00 0.00 C ATOM 869 NZ LYS A 58 9.985 9.224 10.983 1.00 0.00 N ATOM 0 H LYS A 58 9.266 8.573 5.707 1.00 0.00 H new ATOM 0 HA LYS A 58 6.381 9.064 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.504 8.875 7.967 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.963 7.424 7.096 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.288 7.767 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.036 9.427 8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.454 7.514 9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.176 7.201 9.708 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.324 10.057 9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.903 8.992 11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.051 10.023 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.235 8.344 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.642 9.375 10.191 1.00 0.00 H new ATOM 883 N SER A 59 7.825 11.510 5.317 1.00 0.00 N ATOM 884 CA SER A 59 7.961 12.953 5.478 1.00 0.00 C ATOM 885 C SER A 59 6.822 13.689 4.782 1.00 0.00 C ATOM 886 O SER A 59 6.232 14.613 5.342 1.00 0.00 O ATOM 887 CB SER A 59 9.306 13.424 4.921 1.00 0.00 C ATOM 888 OG SER A 59 9.801 14.532 5.651 1.00 0.00 O ATOM 0 H SER A 59 8.083 11.162 4.394 1.00 0.00 H new ATOM 0 HA SER A 59 7.917 13.180 6.543 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.026 12.607 4.962 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.193 13.697 3.872 1.00 0.00 H new ATOM 0 HG SER A 59 10.662 14.812 5.276 1.00 0.00 H new ATOM 894 N TYR A 60 6.519 13.275 3.556 1.00 0.00 N ATOM 895 CA TYR A 60 5.450 13.897 2.782 1.00 0.00 C ATOM 896 C TYR A 60 4.261 12.952 2.629 1.00 0.00 C ATOM 897 O TYR A 60 3.122 13.395 2.474 1.00 0.00 O ATOM 898 CB TYR A 60 5.967 14.312 1.403 1.00 0.00 C ATOM 899 CG TYR A 60 7.129 15.278 1.456 1.00 0.00 C ATOM 900 CD1 TYR A 60 7.004 16.509 2.087 1.00 0.00 C ATOM 901 CD2 TYR A 60 8.351 14.957 0.877 1.00 0.00 C ATOM 902 CE1 TYR A 60 8.064 17.395 2.139 1.00 0.00 C ATOM 903 CE2 TYR A 60 9.415 15.838 0.925 1.00 0.00 C ATOM 904 CZ TYR A 60 9.267 17.054 1.557 1.00 0.00 C ATOM 905 OH TYR A 60 10.324 17.933 1.607 1.00 0.00 O ATOM 0 H TYR A 60 6.998 12.512 3.077 1.00 0.00 H new ATOM 0 HA TYR A 60 5.116 14.783 3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.272 13.420 0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.152 14.768 0.841 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.063 16.778 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.471 14.005 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.951 18.349 2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.358 15.575 0.469 1.00 0.00 H new ATOM 0 HH TYR A 60 11.098 17.540 1.151 1.00 0.00 H new ATOM 915 N PHE A 61 4.531 11.651 2.672 1.00 0.00 N ATOM 916 CA PHE A 61 3.481 10.646 2.537 1.00 0.00 C ATOM 917 C PHE A 61 2.382 10.861 3.574 1.00 0.00 C ATOM 918 O PHE A 61 2.654 10.965 4.769 1.00 0.00 O ATOM 919 CB PHE A 61 4.068 9.242 2.685 1.00 0.00 C ATOM 920 CG PHE A 61 3.323 8.196 1.906 1.00 0.00 C ATOM 921 CD1 PHE A 61 1.965 8.002 2.105 1.00 0.00 C ATOM 922 CD2 PHE A 61 3.979 7.406 0.976 1.00 0.00 C ATOM 923 CE1 PHE A 61 1.276 7.041 1.389 1.00 0.00 C ATOM 924 CE2 PHE A 61 3.296 6.444 0.257 1.00 0.00 C ATOM 925 CZ PHE A 61 1.943 6.261 0.465 1.00 0.00 C ATOM 0 H PHE A 61 5.468 11.268 2.799 1.00 0.00 H new ATOM 0 HA PHE A 61 3.043 10.748 1.544 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.108 9.255 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.069 8.966 3.740 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.439 8.609 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.037 7.544 0.811 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.218 6.900 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.819 5.836 -0.466 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.407 5.509 -0.094 1.00 0.00 H new ATOM 935 N SER A 62 1.141 10.926 3.105 1.00 0.00 N ATOM 936 CA SER A 62 -0.001 11.129 3.989 1.00 0.00 C ATOM 937 C SER A 62 -0.811 9.844 4.135 1.00 0.00 C ATOM 938 O SER A 62 -0.877 9.259 5.215 1.00 0.00 O ATOM 939 CB SER A 62 -0.894 12.250 3.456 1.00 0.00 C ATOM 940 OG SER A 62 -1.465 12.996 4.516 1.00 0.00 O ATOM 0 H SER A 62 0.900 10.841 2.118 1.00 0.00 H new ATOM 0 HA SER A 62 0.378 11.413 4.971 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.310 12.911 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.686 11.826 2.838 1.00 0.00 H new ATOM 0 HG SER A 62 -2.030 13.707 4.148 1.00 0.00 H new ATOM 946 N ASP A 63 -1.426 9.412 3.039 1.00 0.00 N ATOM 947 CA ASP A 63 -2.232 8.196 3.046 1.00 0.00 C ATOM 948 C ASP A 63 -2.502 7.713 1.624 1.00 0.00 C ATOM 949 O ASP A 63 -2.017 8.298 0.655 1.00 0.00 O ATOM 950 CB ASP A 63 -3.556 8.440 3.772 1.00 0.00 C ATOM 951 CG ASP A 63 -4.340 9.592 3.175 1.00 0.00 C ATOM 952 OD1 ASP A 63 -3.807 10.720 3.143 1.00 0.00 O ATOM 953 OD2 ASP A 63 -5.488 9.364 2.737 1.00 0.00 O ATOM 0 H ASP A 63 -1.382 9.885 2.136 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.672 7.424 3.574 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.161 7.534 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.358 8.646 4.824 1.00 0.00 H new ATOM 958 N CYS A 64 -3.280 6.642 1.508 1.00 0.00 N ATOM 959 CA CYS A 64 -3.616 6.080 0.205 1.00 0.00 C ATOM 960 C CYS A 64 -5.106 6.232 -0.085 1.00 0.00 C ATOM 961 O CYS A 64 -5.899 6.508 0.816 1.00 0.00 O ATOM 962 CB CYS A 64 -3.220 4.603 0.145 1.00 0.00 C ATOM 963 SG CYS A 64 -2.442 4.110 -1.411 1.00 0.00 S ATOM 0 H CYS A 64 -3.689 6.146 2.300 1.00 0.00 H new ATOM 0 HA CYS A 64 -3.059 6.629 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.535 4.388 0.965 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -4.109 3.993 0.304 1.00 0.00 H new ATOM 0 HG CYS A 64 -2.211 5.165 -2.134 1.00 0.00 H new ATOM 969 N GLN A 65 -5.479 6.049 -1.346 1.00 0.00 N ATOM 970 CA GLN A 65 -6.874 6.165 -1.755 1.00 0.00 C ATOM 971 C GLN A 65 -7.284 4.976 -2.619 1.00 0.00 C ATOM 972 O GLN A 65 -7.036 4.956 -3.824 1.00 0.00 O ATOM 973 CB GLN A 65 -7.095 7.470 -2.523 1.00 0.00 C ATOM 974 CG GLN A 65 -8.519 7.652 -3.023 1.00 0.00 C ATOM 975 CD GLN A 65 -9.517 7.821 -1.894 1.00 0.00 C ATOM 976 OE1 GLN A 65 -9.184 8.334 -0.826 1.00 0.00 O ATOM 977 NE2 GLN A 65 -10.751 7.388 -2.127 1.00 0.00 N ATOM 0 H GLN A 65 -4.835 5.820 -2.103 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.493 6.172 -0.858 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.836 8.309 -1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.414 7.500 -3.374 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.562 8.525 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.801 6.789 -3.626 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.983 6.969 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.467 7.475 -1.405 1.00 0.00 H new ATOM 986 N VAL A 66 -7.913 3.987 -1.992 1.00 0.00 N ATOM 987 CA VAL A 66 -8.358 2.794 -2.704 1.00 0.00 C ATOM 988 C VAL A 66 -9.491 3.124 -3.669 1.00 0.00 C ATOM 989 O VAL A 66 -10.608 3.430 -3.251 1.00 0.00 O ATOM 990 CB VAL A 66 -8.826 1.699 -1.725 1.00 0.00 C ATOM 991 CG1 VAL A 66 -9.998 2.189 -0.888 1.00 0.00 C ATOM 992 CG2 VAL A 66 -9.194 0.428 -2.479 1.00 0.00 C ATOM 0 H VAL A 66 -8.126 3.988 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.504 2.421 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 66 -8.002 1.469 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -10.312 1.400 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -9.695 3.066 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -10.828 2.453 -1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.522 -0.333 -1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -10.000 0.642 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.324 0.064 -3.026 1.00 0.00 H new ATOM 1002 N LEU A 67 -9.196 3.060 -4.964 1.00 0.00 N ATOM 1003 CA LEU A 67 -10.189 3.352 -5.990 1.00 0.00 C ATOM 1004 C LEU A 67 -11.155 2.185 -6.159 1.00 0.00 C ATOM 1005 O LEU A 67 -12.366 2.339 -5.995 1.00 0.00 O ATOM 1006 CB LEU A 67 -9.502 3.656 -7.322 1.00 0.00 C ATOM 1007 CG LEU A 67 -8.340 4.649 -7.240 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -7.659 4.785 -8.593 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.831 6.003 -6.749 1.00 0.00 C ATOM 0 H LEU A 67 -8.277 2.808 -5.327 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.756 4.227 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.132 2.722 -7.744 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.246 4.047 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.610 4.268 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.835 5.495 -8.516 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.274 3.814 -8.906 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.379 5.143 -9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.992 6.697 -6.697 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.580 6.391 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.273 5.893 -5.759 1.00 0.00 H new ATOM 1021 N ALA A 68 -10.613 1.017 -6.488 1.00 0.00 N ATOM 1022 CA ALA A 68 -11.428 -0.177 -6.679 1.00 0.00 C ATOM 1023 C ALA A 68 -10.558 -1.422 -6.813 1.00 0.00 C ATOM 1024 O ALA A 68 -9.332 -1.345 -6.746 1.00 0.00 O ATOM 1025 CB ALA A 68 -12.317 -0.017 -7.904 1.00 0.00 C ATOM 0 H ALA A 68 -9.613 0.872 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.058 -0.301 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.920 -0.915 -8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.972 0.844 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.696 0.135 -8.787 1.00 0.00 H new ATOM 1031 N PHE A 69 -11.202 -2.569 -7.002 1.00 0.00 N ATOM 1032 CA PHE A 69 -10.488 -3.833 -7.146 1.00 0.00 C ATOM 1033 C PHE A 69 -10.541 -4.327 -8.587 1.00 0.00 C ATOM 1034 O PHE A 69 -11.186 -3.716 -9.440 1.00 0.00 O ATOM 1035 CB PHE A 69 -11.083 -4.887 -6.210 1.00 0.00 C ATOM 1036 CG PHE A 69 -10.857 -4.596 -4.754 1.00 0.00 C ATOM 1037 CD1 PHE A 69 -9.573 -4.434 -4.258 1.00 0.00 C ATOM 1038 CD2 PHE A 69 -11.927 -4.484 -3.882 1.00 0.00 C ATOM 1039 CE1 PHE A 69 -9.362 -4.166 -2.918 1.00 0.00 C ATOM 1040 CE2 PHE A 69 -11.723 -4.217 -2.542 1.00 0.00 C ATOM 1041 CZ PHE A 69 -10.437 -4.057 -2.059 1.00 0.00 C ATOM 0 H PHE A 69 -12.217 -2.650 -7.059 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.445 -3.666 -6.878 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.155 -4.961 -6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -10.650 -5.858 -6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.728 -4.518 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.933 -4.607 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.357 -4.042 -2.544 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.566 -4.133 -1.873 1.00 0.00 H new ATOM 0 HZ PHE A 69 -10.274 -3.847 -1.012 1.00 0.00 H new ATOM 1051 N ARG A 70 -9.857 -5.435 -8.854 1.00 0.00 N ATOM 1052 CA ARG A 70 -9.826 -6.012 -10.194 1.00 0.00 C ATOM 1053 C ARG A 70 -9.719 -7.532 -10.128 1.00 0.00 C ATOM 1054 O ARG A 70 -9.227 -8.088 -9.146 1.00 0.00 O ATOM 1055 CB ARG A 70 -8.651 -5.441 -10.990 1.00 0.00 C ATOM 1056 CG ARG A 70 -8.714 -3.933 -11.174 1.00 0.00 C ATOM 1057 CD ARG A 70 -9.865 -3.526 -12.079 1.00 0.00 C ATOM 1058 NE ARG A 70 -9.527 -3.665 -13.495 1.00 0.00 N ATOM 1059 CZ ARG A 70 -9.724 -4.775 -14.205 1.00 0.00 C ATOM 1060 NH1 ARG A 70 -10.247 -5.856 -13.638 1.00 0.00 N ATOM 1061 NH2 ARG A 70 -9.392 -4.807 -15.488 1.00 0.00 N ATOM 0 H ARG A 70 -9.316 -5.952 -8.160 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.757 -5.752 -10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.721 -5.698 -10.483 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.622 -5.917 -11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.827 -3.452 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.775 -3.578 -11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.737 -4.139 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.140 -2.492 -11.872 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.114 -2.862 -13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.502 -5.841 -12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.394 -6.701 -14.190 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.986 -3.982 -15.931 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.542 -5.656 -16.033 1.00 0.00 H new ATOM 1075 N SER A 71 -10.183 -8.199 -11.180 1.00 0.00 N ATOM 1076 CA SER A 71 -10.139 -9.655 -11.242 1.00 0.00 C ATOM 1077 C SER A 71 -8.855 -10.132 -11.915 1.00 0.00 C ATOM 1078 O SER A 71 -8.028 -9.325 -12.338 1.00 0.00 O ATOM 1079 CB SER A 71 -11.354 -10.193 -11.998 1.00 0.00 C ATOM 1080 OG SER A 71 -11.400 -11.608 -11.951 1.00 0.00 O ATOM 0 H SER A 71 -10.594 -7.754 -12.001 1.00 0.00 H new ATOM 0 HA SER A 71 -10.158 -10.037 -10.221 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.266 -9.782 -11.565 1.00 0.00 H new ATOM 0 HB3 SER A 71 -11.316 -9.862 -13.036 1.00 0.00 H new ATOM 0 HG SER A 71 -11.960 -11.892 -11.199 1.00 0.00 H new ATOM 1154 N ASN A 77 -8.261 -16.947 -7.323 1.00 0.00 N ATOM 1155 CA ASN A 77 -8.090 -16.873 -5.876 1.00 0.00 C ATOM 1156 C ASN A 77 -7.331 -15.609 -5.476 1.00 0.00 C ATOM 1157 O ASN A 77 -6.818 -15.512 -4.361 1.00 0.00 O ATOM 1158 CB ASN A 77 -7.350 -18.110 -5.366 1.00 0.00 C ATOM 1159 CG ASN A 77 -7.543 -18.326 -3.877 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -6.592 -18.251 -3.099 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -8.778 -18.597 -3.473 1.00 0.00 N ATOM 0 HA ASN A 77 -9.080 -16.836 -5.422 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.701 -18.989 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.286 -18.008 -5.581 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.968 -18.753 -2.483 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.537 -18.650 -4.153 1.00 0.00 H new ATOM 1168 N HIS A 78 -7.262 -14.643 -6.389 1.00 0.00 N ATOM 1169 CA HIS A 78 -6.567 -13.389 -6.125 1.00 0.00 C ATOM 1170 C HIS A 78 -7.465 -12.196 -6.433 1.00 0.00 C ATOM 1171 O HIS A 78 -8.613 -12.361 -6.843 1.00 0.00 O ATOM 1172 CB HIS A 78 -5.286 -13.306 -6.959 1.00 0.00 C ATOM 1173 CG HIS A 78 -4.381 -14.487 -6.791 1.00 0.00 C ATOM 1174 ND1 HIS A 78 -3.557 -14.953 -7.794 1.00 0.00 N ATOM 1175 CD2 HIS A 78 -4.170 -15.299 -5.727 1.00 0.00 C ATOM 1176 CE1 HIS A 78 -2.880 -15.999 -7.355 1.00 0.00 C ATOM 1177 NE2 HIS A 78 -3.234 -16.229 -6.104 1.00 0.00 N ATOM 0 H HIS A 78 -7.679 -14.706 -7.318 1.00 0.00 H new ATOM 0 HA HIS A 78 -6.306 -13.362 -5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -5.554 -13.211 -8.011 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -4.743 -12.401 -6.686 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.649 -15.228 -4.762 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.160 -16.569 -7.923 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -2.871 -16.977 -5.513 1.00 0.00 H new ATOM 1186 N THR A 79 -6.934 -10.994 -6.233 1.00 0.00 N ATOM 1187 CA THR A 79 -7.690 -9.773 -6.491 1.00 0.00 C ATOM 1188 C THR A 79 -6.756 -8.582 -6.678 1.00 0.00 C ATOM 1189 O THR A 79 -5.905 -8.308 -5.831 1.00 0.00 O ATOM 1190 CB THR A 79 -8.663 -9.497 -5.343 1.00 0.00 C ATOM 1191 OG1 THR A 79 -9.521 -10.605 -5.137 1.00 0.00 O ATOM 1192 CG2 THR A 79 -9.531 -8.280 -5.573 1.00 0.00 C ATOM 0 H THR A 79 -5.985 -10.839 -5.894 1.00 0.00 H new ATOM 0 HA THR A 79 -8.256 -9.915 -7.412 1.00 0.00 H new ATOM 0 HB THR A 79 -8.036 -9.315 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 79 -9.495 -10.868 -4.193 1.00 0.00 H new ATOM 0 HG21 THR A 79 -10.197 -8.142 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.899 -7.399 -5.686 1.00 0.00 H new ATOM 0 HG23 THR A 79 -10.123 -8.421 -6.477 1.00 0.00 H new ATOM 1200 N GLY A 80 -6.920 -7.877 -7.792 1.00 0.00 N ATOM 1201 CA GLY A 80 -6.084 -6.723 -8.071 1.00 0.00 C ATOM 1202 C GLY A 80 -6.563 -5.474 -7.357 1.00 0.00 C ATOM 1203 O GLY A 80 -7.755 -5.168 -7.360 1.00 0.00 O ATOM 0 H GLY A 80 -7.617 -8.084 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.059 -6.939 -7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.069 -6.540 -9.145 1.00 0.00 H new ATOM 1207 N VAL A 81 -5.632 -4.753 -6.742 1.00 0.00 N ATOM 1208 CA VAL A 81 -5.966 -3.531 -6.020 1.00 0.00 C ATOM 1209 C VAL A 81 -5.607 -2.293 -6.834 1.00 0.00 C ATOM 1210 O VAL A 81 -4.550 -2.235 -7.463 1.00 0.00 O ATOM 1211 CB VAL A 81 -5.241 -3.466 -4.662 1.00 0.00 C ATOM 1212 CG1 VAL A 81 -5.685 -2.242 -3.873 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -5.483 -4.739 -3.865 1.00 0.00 C ATOM 0 H VAL A 81 -4.641 -4.993 -6.729 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.042 -3.550 -5.850 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.171 -3.379 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.161 -2.215 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.453 -1.340 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.759 -2.293 -3.696 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.963 -4.674 -2.909 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.552 -4.861 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.108 -5.596 -4.425 1.00 0.00 H new ATOM 1223 N ASP A 82 -6.493 -1.302 -6.814 1.00 0.00 N ATOM 1224 CA ASP A 82 -6.272 -0.059 -7.544 1.00 0.00 C ATOM 1225 C ASP A 82 -6.319 1.134 -6.595 1.00 0.00 C ATOM 1226 O ASP A 82 -7.308 1.866 -6.550 1.00 0.00 O ATOM 1227 CB ASP A 82 -7.319 0.103 -8.649 1.00 0.00 C ATOM 1228 CG ASP A 82 -6.745 -0.146 -10.029 1.00 0.00 C ATOM 1229 OD1 ASP A 82 -6.675 -1.323 -10.440 1.00 0.00 O ATOM 1230 OD2 ASP A 82 -6.364 0.837 -10.700 1.00 0.00 O ATOM 0 H ASP A 82 -7.373 -1.336 -6.299 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.284 -0.100 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.142 -0.589 -8.470 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.734 1.110 -8.607 1.00 0.00 H new ATOM 1235 N SER A 83 -5.245 1.319 -5.835 1.00 0.00 N ATOM 1236 CA SER A 83 -5.162 2.420 -4.882 1.00 0.00 C ATOM 1237 C SER A 83 -4.346 3.576 -5.450 1.00 0.00 C ATOM 1238 O SER A 83 -3.889 3.524 -6.592 1.00 0.00 O ATOM 1239 CB SER A 83 -4.544 1.936 -3.569 1.00 0.00 C ATOM 1240 OG SER A 83 -3.634 0.873 -3.796 1.00 0.00 O ATOM 0 H SER A 83 -4.419 0.720 -5.860 1.00 0.00 H new ATOM 0 HA SER A 83 -6.173 2.779 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.028 2.762 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.332 1.606 -2.892 1.00 0.00 H new ATOM 0 HG SER A 83 -3.932 0.077 -3.308 1.00 0.00 H new ATOM 1246 N LEU A 84 -4.169 4.618 -4.645 1.00 0.00 N ATOM 1247 CA LEU A 84 -3.410 5.790 -5.066 1.00 0.00 C ATOM 1248 C LEU A 84 -2.463 6.252 -3.964 1.00 0.00 C ATOM 1249 O LEU A 84 -2.897 6.607 -2.868 1.00 0.00 O ATOM 1250 CB LEU A 84 -4.364 6.927 -5.446 1.00 0.00 C ATOM 1251 CG LEU A 84 -3.711 8.131 -6.133 1.00 0.00 C ATOM 1252 CD1 LEU A 84 -2.896 8.942 -5.135 1.00 0.00 C ATOM 1253 CD2 LEU A 84 -2.839 7.675 -7.293 1.00 0.00 C ATOM 0 H LEU A 84 -4.541 4.675 -3.697 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.815 5.515 -5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.134 6.527 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.867 7.274 -4.543 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.500 8.771 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.441 9.792 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.548 9.301 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.115 8.314 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.383 8.543 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.057 7.013 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.451 7.142 -8.021 1.00 0.00 H new ATOM 1265 N CYS A 85 -1.167 6.249 -4.262 1.00 0.00 N ATOM 1266 CA CYS A 85 -0.161 6.673 -3.296 1.00 0.00 C ATOM 1267 C CYS A 85 -0.187 8.189 -3.125 1.00 0.00 C ATOM 1268 O CYS A 85 0.593 8.909 -3.748 1.00 0.00 O ATOM 1269 CB CYS A 85 1.231 6.220 -3.745 1.00 0.00 C ATOM 1270 SG CYS A 85 1.497 4.435 -3.632 1.00 0.00 S ATOM 0 H CYS A 85 -0.790 5.958 -5.164 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.391 6.210 -2.336 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.389 6.536 -4.776 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.980 6.728 -3.138 1.00 0.00 H new ATOM 0 HG CYS A 85 1.475 3.917 -4.824 1.00 0.00 H new ATOM 1276 N ASN A 86 -1.096 8.668 -2.280 1.00 0.00 N ATOM 1277 CA ASN A 86 -1.232 10.099 -2.030 1.00 0.00 C ATOM 1278 C ASN A 86 -0.042 10.640 -1.241 1.00 0.00 C ATOM 1279 O ASN A 86 0.446 9.995 -0.313 1.00 0.00 O ATOM 1280 CB ASN A 86 -2.534 10.382 -1.275 1.00 0.00 C ATOM 1281 CG ASN A 86 -3.488 11.249 -2.074 1.00 0.00 C ATOM 1282 OD1 ASN A 86 -3.411 12.477 -2.033 1.00 0.00 O ATOM 1283 ND2 ASN A 86 -4.395 10.613 -2.806 1.00 0.00 N ATOM 0 H ASN A 86 -1.750 8.085 -1.757 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.258 10.607 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.022 9.438 -1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -2.304 10.875 -0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -5.064 11.144 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.423 9.593 -2.811 1.00 0.00 H new ATOM 1290 N PHE A 87 0.414 11.830 -1.617 1.00 0.00 N ATOM 1291 CA PHE A 87 1.542 12.467 -0.946 1.00 0.00 C ATOM 1292 C PHE A 87 1.211 13.909 -0.575 1.00 0.00 C ATOM 1293 O PHE A 87 0.093 14.375 -0.793 1.00 0.00 O ATOM 1294 CB PHE A 87 2.783 12.433 -1.841 1.00 0.00 C ATOM 1295 CG PHE A 87 3.634 11.212 -1.643 1.00 0.00 C ATOM 1296 CD1 PHE A 87 3.126 9.947 -1.891 1.00 0.00 C ATOM 1297 CD2 PHE A 87 4.944 11.330 -1.207 1.00 0.00 C ATOM 1298 CE1 PHE A 87 3.908 8.823 -1.708 1.00 0.00 C ATOM 1299 CE2 PHE A 87 5.731 10.210 -1.023 1.00 0.00 C ATOM 1300 CZ PHE A 87 5.213 8.955 -1.274 1.00 0.00 C ATOM 0 H PHE A 87 0.019 12.374 -2.384 1.00 0.00 H new ATOM 0 HA PHE A 87 1.747 11.911 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.470 12.482 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.385 13.321 -1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.107 9.838 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.354 12.309 -1.009 1.00 0.00 H new ATOM 0 HE1 PHE A 87 3.500 7.842 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.751 10.316 -0.683 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.827 8.078 -1.131 1.00 0.00 H new ATOM 1310 N SER A 88 2.191 14.610 -0.014 1.00 0.00 N ATOM 1311 CA SER A 88 2.004 16.000 0.386 1.00 0.00 C ATOM 1312 C SER A 88 2.428 16.950 -0.734 1.00 0.00 C ATOM 1313 O SER A 88 3.087 16.539 -1.689 1.00 0.00 O ATOM 1314 CB SER A 88 2.802 16.300 1.657 1.00 0.00 C ATOM 1315 OG SER A 88 1.967 16.279 2.801 1.00 0.00 O ATOM 0 H SER A 88 3.122 14.239 0.174 1.00 0.00 H new ATOM 0 HA SER A 88 0.944 16.155 0.588 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.599 15.565 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.279 17.276 1.569 1.00 0.00 H new ATOM 0 HG SER A 88 2.501 16.472 3.600 1.00 0.00 H new ATOM 1321 N PRO A 89 2.052 18.236 -0.631 1.00 0.00 N ATOM 1322 CA PRO A 89 2.397 19.242 -1.640 1.00 0.00 C ATOM 1323 C PRO A 89 3.880 19.599 -1.621 1.00 0.00 C ATOM 1324 O PRO A 89 4.472 19.889 -2.660 1.00 0.00 O ATOM 1325 CB PRO A 89 1.550 20.451 -1.238 1.00 0.00 C ATOM 1326 CG PRO A 89 1.334 20.291 0.227 1.00 0.00 C ATOM 1327 CD PRO A 89 1.263 18.809 0.476 1.00 0.00 C ATOM 0 HA PRO A 89 2.205 18.887 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.063 21.386 -1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.603 20.469 -1.778 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.148 20.743 0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.414 20.784 0.542 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.682 18.545 1.447 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.234 18.449 0.464 1.00 0.00 H new ATOM 1335 N LEU A 90 4.473 19.576 -0.432 1.00 0.00 N ATOM 1336 CA LEU A 90 5.888 19.899 -0.278 1.00 0.00 C ATOM 1337 C LEU A 90 6.756 18.947 -1.095 1.00 0.00 C ATOM 1338 O LEU A 90 7.824 19.322 -1.574 1.00 0.00 O ATOM 1339 CB LEU A 90 6.290 19.834 1.197 1.00 0.00 C ATOM 1340 CG LEU A 90 5.970 21.089 2.011 1.00 0.00 C ATOM 1341 CD1 LEU A 90 4.536 21.048 2.513 1.00 0.00 C ATOM 1342 CD2 LEU A 90 6.940 21.232 3.174 1.00 0.00 C ATOM 0 H LEU A 90 3.997 19.338 0.438 1.00 0.00 H new ATOM 0 HA LEU A 90 6.045 20.913 -0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.788 18.983 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.361 19.643 1.258 1.00 0.00 H new ATOM 0 HG LEU A 90 6.081 21.958 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.327 21.949 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.855 20.994 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.397 20.171 3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.697 22.130 3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.861 20.360 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.958 21.309 2.792 1.00 0.00 H new ATOM 1354 N ALA A 91 6.287 17.713 -1.249 1.00 0.00 N ATOM 1355 CA ALA A 91 7.020 16.707 -2.009 1.00 0.00 C ATOM 1356 C ALA A 91 7.226 17.151 -3.453 1.00 0.00 C ATOM 1357 O ALA A 91 6.586 18.093 -3.920 1.00 0.00 O ATOM 1358 CB ALA A 91 6.288 15.374 -1.964 1.00 0.00 C ATOM 0 H ALA A 91 5.404 17.386 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 91 8.001 16.586 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.847 14.633 -2.535 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.199 15.043 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.294 15.490 -2.395 1.00 0.00 H new ATOM 1364 N ARG A 92 8.121 16.465 -4.155 1.00 0.00 N ATOM 1365 CA ARG A 92 8.411 16.787 -5.548 1.00 0.00 C ATOM 1366 C ARG A 92 9.449 15.828 -6.122 1.00 0.00 C ATOM 1367 O ARG A 92 9.354 15.414 -7.277 1.00 0.00 O ATOM 1368 CB ARG A 92 8.907 18.230 -5.669 1.00 0.00 C ATOM 1369 CG ARG A 92 8.268 18.997 -6.814 1.00 0.00 C ATOM 1370 CD ARG A 92 8.399 20.499 -6.620 1.00 0.00 C ATOM 1371 NE ARG A 92 7.223 21.072 -5.969 1.00 0.00 N ATOM 1372 CZ ARG A 92 6.009 21.094 -6.515 1.00 0.00 C ATOM 1373 NH1 ARG A 92 5.807 20.578 -7.721 1.00 0.00 N ATOM 1374 NH2 ARG A 92 4.995 21.635 -5.855 1.00 0.00 N ATOM 0 H ARG A 92 8.659 15.682 -3.783 1.00 0.00 H new ATOM 0 HA ARG A 92 7.489 16.680 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 92 8.706 18.754 -4.735 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.988 18.224 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.738 18.708 -7.754 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.214 18.729 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.284 20.711 -6.021 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.547 20.978 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 92 7.339 21.479 -5.041 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.584 20.162 -8.234 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.875 20.598 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.145 22.035 -4.929 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.065 21.652 -6.274 1.00 0.00 H new ATOM 1388 N ARG A 93 10.439 15.478 -5.306 1.00 0.00 N ATOM 1389 CA ARG A 93 11.494 14.567 -5.734 1.00 0.00 C ATOM 1390 C ARG A 93 11.161 13.129 -5.344 1.00 0.00 C ATOM 1391 O ARG A 93 12.006 12.403 -4.820 1.00 0.00 O ATOM 1392 CB ARG A 93 12.834 14.985 -5.122 1.00 0.00 C ATOM 1393 CG ARG A 93 13.667 15.873 -6.032 1.00 0.00 C ATOM 1394 CD ARG A 93 14.271 15.079 -7.180 1.00 0.00 C ATOM 1395 NE ARG A 93 14.787 15.950 -8.234 1.00 0.00 N ATOM 1396 CZ ARG A 93 14.017 16.685 -9.033 1.00 0.00 C ATOM 1397 NH1 ARG A 93 12.696 16.660 -8.900 1.00 0.00 N ATOM 1398 NH2 ARG A 93 14.568 17.449 -9.966 1.00 0.00 N ATOM 0 H ARG A 93 10.532 15.811 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 93 11.570 14.618 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.648 15.511 -4.186 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.407 14.091 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.045 16.675 -6.430 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.463 16.344 -5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 93 15.077 14.450 -6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.516 14.413 -7.597 1.00 0.00 H new ATOM 0 HE ARG A 93 15.797 15.997 -8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.267 16.076 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.111 17.225 -9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.582 17.474 -10.072 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.978 18.012 -10.578 1.00 0.00 H new ATOM 1412 N VAL A 94 9.922 12.723 -5.606 1.00 0.00 N ATOM 1413 CA VAL A 94 9.476 11.373 -5.284 1.00 0.00 C ATOM 1414 C VAL A 94 9.193 10.574 -6.552 1.00 0.00 C ATOM 1415 O VAL A 94 8.369 10.970 -7.377 1.00 0.00 O ATOM 1416 CB VAL A 94 8.209 11.392 -4.410 1.00 0.00 C ATOM 1417 CG1 VAL A 94 7.873 9.991 -3.924 1.00 0.00 C ATOM 1418 CG2 VAL A 94 8.384 12.344 -3.237 1.00 0.00 C ATOM 0 H VAL A 94 9.210 13.310 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 94 10.283 10.897 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 94 7.377 11.749 -5.017 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.974 10.025 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.701 9.340 -4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 94 8.703 9.602 -3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.478 12.344 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 94 9.228 12.020 -2.628 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.571 13.351 -3.610 1.00 0.00 H new ATOM 1428 N ASP A 95 9.882 9.447 -6.701 1.00 0.00 N ATOM 1429 CA ASP A 95 9.704 8.592 -7.870 1.00 0.00 C ATOM 1430 C ASP A 95 8.808 7.401 -7.543 1.00 0.00 C ATOM 1431 O ASP A 95 8.628 7.049 -6.377 1.00 0.00 O ATOM 1432 CB ASP A 95 11.060 8.101 -8.378 1.00 0.00 C ATOM 1433 CG ASP A 95 11.727 9.099 -9.303 1.00 0.00 C ATOM 1434 OD1 ASP A 95 11.439 9.068 -10.517 1.00 0.00 O ATOM 1435 OD2 ASP A 95 12.539 9.913 -8.812 1.00 0.00 O ATOM 0 H ASP A 95 10.568 9.105 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 95 9.222 9.181 -8.650 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.714 7.904 -7.528 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.927 7.155 -8.903 1.00 0.00 H new ATOM 1440 N ARG A 96 8.248 6.787 -8.579 1.00 0.00 N ATOM 1441 CA ARG A 96 7.371 5.636 -8.404 1.00 0.00 C ATOM 1442 C ARG A 96 8.126 4.467 -7.778 1.00 0.00 C ATOM 1443 O ARG A 96 7.552 3.666 -7.040 1.00 0.00 O ATOM 1444 CB ARG A 96 6.775 5.212 -9.747 1.00 0.00 C ATOM 1445 CG ARG A 96 7.799 5.129 -10.868 1.00 0.00 C ATOM 1446 CD ARG A 96 7.460 4.021 -11.851 1.00 0.00 C ATOM 1447 NE ARG A 96 8.656 3.367 -12.374 1.00 0.00 N ATOM 1448 CZ ARG A 96 8.637 2.445 -13.335 1.00 0.00 C ATOM 1449 NH1 ARG A 96 7.488 2.068 -13.880 1.00 0.00 N ATOM 1450 NH2 ARG A 96 9.772 1.901 -13.754 1.00 0.00 N ATOM 0 H ARG A 96 8.386 7.068 -9.550 1.00 0.00 H new ATOM 0 HA ARG A 96 6.563 5.926 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.295 4.240 -9.632 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.996 5.920 -10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.842 6.083 -11.394 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.788 4.952 -10.446 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.828 3.281 -11.359 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.882 4.434 -12.678 1.00 0.00 H new ATOM 0 HE ARG A 96 9.559 3.632 -11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.612 2.485 -13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.480 1.361 -14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.659 2.189 -13.340 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.758 1.195 -14.490 1.00 0.00 H new ATOM 1464 N VAL A 97 9.418 4.375 -8.079 1.00 0.00 N ATOM 1465 CA VAL A 97 10.253 3.305 -7.547 1.00 0.00 C ATOM 1466 C VAL A 97 10.404 3.423 -6.034 1.00 0.00 C ATOM 1467 O VAL A 97 10.587 2.424 -5.339 1.00 0.00 O ATOM 1468 CB VAL A 97 11.651 3.313 -8.193 1.00 0.00 C ATOM 1469 CG1 VAL A 97 12.437 2.077 -7.780 1.00 0.00 C ATOM 1470 CG2 VAL A 97 11.542 3.402 -9.707 1.00 0.00 C ATOM 0 H VAL A 97 9.909 5.029 -8.689 1.00 0.00 H new ATOM 0 HA VAL A 97 9.754 2.366 -7.786 1.00 0.00 H new ATOM 0 HB VAL A 97 12.188 4.193 -7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 97 13.422 2.100 -8.246 1.00 0.00 H new ATOM 0 HG12 VAL A 97 12.549 2.062 -6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.904 1.182 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 97 12.541 3.406 -10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 97 10.985 2.544 -10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.022 4.320 -9.981 1.00 0.00 H new ATOM 1480 N ALA A 98 10.326 4.650 -5.529 1.00 0.00 N ATOM 1481 CA ALA A 98 10.455 4.896 -4.098 1.00 0.00 C ATOM 1482 C ALA A 98 9.372 4.162 -3.315 1.00 0.00 C ATOM 1483 O ALA A 98 9.667 3.283 -2.504 1.00 0.00 O ATOM 1484 CB ALA A 98 10.393 6.390 -3.813 1.00 0.00 C ATOM 0 H ALA A 98 10.174 5.489 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 98 11.423 4.514 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.490 6.560 -2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.206 6.894 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.438 6.787 -4.158 1.00 0.00 H new ATOM 1490 N ILE A 99 8.118 4.526 -3.562 1.00 0.00 N ATOM 1491 CA ILE A 99 6.991 3.900 -2.880 1.00 0.00 C ATOM 1492 C ILE A 99 6.885 2.418 -3.236 1.00 0.00 C ATOM 1493 O ILE A 99 6.252 1.643 -2.520 1.00 0.00 O ATOM 1494 CB ILE A 99 5.663 4.600 -3.230 1.00 0.00 C ATOM 1495 CG1 ILE A 99 5.776 6.106 -2.986 1.00 0.00 C ATOM 1496 CG2 ILE A 99 4.520 4.012 -2.414 1.00 0.00 C ATOM 1497 CD1 ILE A 99 4.904 6.935 -3.905 1.00 0.00 C ATOM 0 H ILE A 99 7.856 5.251 -4.230 1.00 0.00 H new ATOM 0 HA ILE A 99 7.173 4.000 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 99 5.452 4.435 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.506 6.320 -1.952 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.815 6.409 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.590 4.518 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.427 2.948 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.723 4.149 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.035 7.992 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.189 6.751 -4.941 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.859 6.660 -3.762 1.00 0.00 H new ATOM 1509 N TYR A 100 7.508 2.030 -4.346 1.00 0.00 N ATOM 1510 CA TYR A 100 7.481 0.642 -4.793 1.00 0.00 C ATOM 1511 C TYR A 100 8.529 -0.189 -4.060 1.00 0.00 C ATOM 1512 O TYR A 100 8.247 -1.293 -3.596 1.00 0.00 O ATOM 1513 CB TYR A 100 7.725 0.569 -6.301 1.00 0.00 C ATOM 1514 CG TYR A 100 7.654 -0.833 -6.861 1.00 0.00 C ATOM 1515 CD1 TYR A 100 6.463 -1.549 -6.845 1.00 0.00 C ATOM 1516 CD2 TYR A 100 8.777 -1.442 -7.405 1.00 0.00 C ATOM 1517 CE1 TYR A 100 6.394 -2.831 -7.357 1.00 0.00 C ATOM 1518 CE2 TYR A 100 8.716 -2.724 -7.919 1.00 0.00 C ATOM 1519 CZ TYR A 100 7.523 -3.414 -7.892 1.00 0.00 C ATOM 1520 OH TYR A 100 7.459 -4.690 -8.401 1.00 0.00 O ATOM 0 H TYR A 100 8.037 2.658 -4.951 1.00 0.00 H new ATOM 0 HA TYR A 100 6.496 0.233 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.989 1.192 -6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.706 0.990 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.577 -1.096 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 100 9.714 -0.905 -7.427 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.460 -3.373 -7.338 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.599 -3.183 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 100 6.559 -4.857 -8.752 1.00 0.00 H new ATOM 1530 N GLU A 101 9.740 0.347 -3.965 1.00 0.00 N ATOM 1531 CA GLU A 101 10.834 -0.346 -3.294 1.00 0.00 C ATOM 1532 C GLU A 101 10.636 -0.358 -1.780 1.00 0.00 C ATOM 1533 O GLU A 101 11.091 -1.273 -1.094 1.00 0.00 O ATOM 1534 CB GLU A 101 12.170 0.314 -3.639 1.00 0.00 C ATOM 1535 CG GLU A 101 12.795 -0.214 -4.920 1.00 0.00 C ATOM 1536 CD GLU A 101 14.281 -0.484 -4.775 1.00 0.00 C ATOM 1537 OE1 GLU A 101 14.912 0.130 -3.890 1.00 0.00 O ATOM 1538 OE2 GLU A 101 14.812 -1.308 -5.549 1.00 0.00 O ATOM 0 H GLU A 101 9.990 1.260 -4.344 1.00 0.00 H new ATOM 0 HA GLU A 101 10.841 -1.378 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.021 1.390 -3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 101 12.866 0.160 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.289 -1.134 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.637 0.508 -5.722 1.00 0.00 H new ATOM 1545 N GLU A 102 9.961 0.664 -1.265 1.00 0.00 N ATOM 1546 CA GLU A 102 9.711 0.768 0.169 1.00 0.00 C ATOM 1547 C GLU A 102 8.485 -0.047 0.573 1.00 0.00 C ATOM 1548 O GLU A 102 8.406 -0.551 1.695 1.00 0.00 O ATOM 1549 CB GLU A 102 9.521 2.233 0.569 1.00 0.00 C ATOM 1550 CG GLU A 102 10.515 2.711 1.616 1.00 0.00 C ATOM 1551 CD GLU A 102 10.896 4.168 1.434 1.00 0.00 C ATOM 1552 OE1 GLU A 102 11.404 4.519 0.350 1.00 0.00 O ATOM 1553 OE2 GLU A 102 10.687 4.958 2.380 1.00 0.00 O ATOM 0 H GLU A 102 9.578 1.431 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 102 10.578 0.364 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.612 2.858 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.509 2.368 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.087 2.572 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.413 2.095 1.567 1.00 0.00 H new ATOM 1560 N PHE A 103 7.532 -0.172 -0.343 1.00 0.00 N ATOM 1561 CA PHE A 103 6.310 -0.924 -0.078 1.00 0.00 C ATOM 1562 C PHE A 103 6.564 -2.427 -0.144 1.00 0.00 C ATOM 1563 O PHE A 103 5.886 -3.210 0.520 1.00 0.00 O ATOM 1564 CB PHE A 103 5.220 -0.534 -1.078 1.00 0.00 C ATOM 1565 CG PHE A 103 3.915 -1.241 -0.853 1.00 0.00 C ATOM 1566 CD1 PHE A 103 3.215 -1.072 0.331 1.00 0.00 C ATOM 1567 CD2 PHE A 103 3.386 -2.075 -1.826 1.00 0.00 C ATOM 1568 CE1 PHE A 103 2.014 -1.721 0.541 1.00 0.00 C ATOM 1569 CE2 PHE A 103 2.185 -2.727 -1.621 1.00 0.00 C ATOM 1570 CZ PHE A 103 1.497 -2.550 -0.436 1.00 0.00 C ATOM 0 H PHE A 103 7.581 0.237 -1.276 1.00 0.00 H new ATOM 0 HA PHE A 103 5.976 -0.678 0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.055 0.542 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.571 -0.750 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 103 3.613 -0.425 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.919 -2.217 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.479 -1.581 1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.784 -3.375 -2.387 1.00 0.00 H new ATOM 0 HZ PHE A 103 0.558 -3.058 -0.274 1.00 0.00 H new ATOM 1580 N LEU A 104 7.542 -2.824 -0.951 1.00 0.00 N ATOM 1581 CA LEU A 104 7.881 -4.235 -1.104 1.00 0.00 C ATOM 1582 C LEU A 104 8.832 -4.695 -0.004 1.00 0.00 C ATOM 1583 O LEU A 104 8.719 -5.812 0.502 1.00 0.00 O ATOM 1584 CB LEU A 104 8.512 -4.482 -2.475 1.00 0.00 C ATOM 1585 CG LEU A 104 7.644 -4.084 -3.669 1.00 0.00 C ATOM 1586 CD1 LEU A 104 8.511 -3.769 -4.878 1.00 0.00 C ATOM 1587 CD2 LEU A 104 6.650 -5.189 -3.995 1.00 0.00 C ATOM 0 H LEU A 104 8.114 -2.190 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 104 6.960 -4.812 -1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.452 -3.933 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.756 -5.541 -2.560 1.00 0.00 H new ATOM 0 HG LEU A 104 7.085 -3.186 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.876 -3.488 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.183 -2.945 -4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.097 -4.649 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.040 -4.890 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.190 -6.104 -4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.007 -5.366 -3.133 1.00 0.00 H new ATOM 1599 N ARG A 105 9.771 -3.829 0.360 1.00 0.00 N ATOM 1600 CA ARG A 105 10.746 -4.147 1.398 1.00 0.00 C ATOM 1601 C ARG A 105 10.059 -4.404 2.736 1.00 0.00 C ATOM 1602 O ARG A 105 10.297 -5.426 3.381 1.00 0.00 O ATOM 1603 CB ARG A 105 11.758 -3.011 1.542 1.00 0.00 C ATOM 1604 CG ARG A 105 13.094 -3.455 2.117 1.00 0.00 C ATOM 1605 CD ARG A 105 13.577 -2.512 3.207 1.00 0.00 C ATOM 1606 NE ARG A 105 14.917 -2.857 3.676 1.00 0.00 N ATOM 1607 CZ ARG A 105 15.529 -2.245 4.687 1.00 0.00 C ATOM 1608 NH1 ARG A 105 14.926 -1.257 5.336 1.00 0.00 N ATOM 1609 NH2 ARG A 105 16.748 -2.622 5.048 1.00 0.00 N ATOM 0 H ARG A 105 9.878 -2.900 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 105 11.269 -5.056 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.925 -2.558 0.565 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.335 -2.238 2.183 1.00 0.00 H new ATOM 0 HG2 ARG A 105 12.999 -4.462 2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.836 -3.501 1.320 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.578 -1.490 2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 105 12.881 -2.541 4.045 1.00 0.00 H new ATOM 0 HE ARG A 105 15.413 -3.611 3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 105 13.989 -0.963 5.061 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.400 -0.791 6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 105 17.215 -3.380 4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 105 17.218 -2.154 5.823 1.00 0.00 H new ATOM 1623 N MET A 106 9.208 -3.470 3.148 1.00 0.00 N ATOM 1624 CA MET A 106 8.490 -3.594 4.412 1.00 0.00 C ATOM 1625 C MET A 106 7.560 -4.804 4.401 1.00 0.00 C ATOM 1626 O MET A 106 7.227 -5.350 5.453 1.00 0.00 O ATOM 1627 CB MET A 106 7.687 -2.323 4.692 1.00 0.00 C ATOM 1628 CG MET A 106 7.176 -2.231 6.121 1.00 0.00 C ATOM 1629 SD MET A 106 7.805 -0.785 6.997 1.00 0.00 S ATOM 1630 CE MET A 106 7.500 0.502 5.789 1.00 0.00 C ATOM 0 H MET A 106 8.999 -2.619 2.626 1.00 0.00 H new ATOM 0 HA MET A 106 9.226 -3.735 5.203 1.00 0.00 H new ATOM 0 HB2 MET A 106 8.311 -1.455 4.481 1.00 0.00 H new ATOM 0 HB3 MET A 106 6.839 -2.280 4.008 1.00 0.00 H new ATOM 0 HG2 MET A 106 6.087 -2.198 6.111 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.463 -3.132 6.663 1.00 0.00 H new ATOM 0 HE1 MET A 106 8.448 0.937 5.474 1.00 0.00 H new ATOM 0 HE2 MET A 106 6.991 0.076 4.924 1.00 0.00 H new ATOM 0 HE3 MET A 106 6.875 1.277 6.233 1.00 0.00 H new ATOM 1640 N THR A 107 7.140 -5.218 3.209 1.00 0.00 N ATOM 1641 CA THR A 107 6.245 -6.362 3.070 1.00 0.00 C ATOM 1642 C THR A 107 7.026 -7.633 2.751 1.00 0.00 C ATOM 1643 O THR A 107 6.513 -8.539 2.093 1.00 0.00 O ATOM 1644 CB THR A 107 5.214 -6.096 1.973 1.00 0.00 C ATOM 1645 OG1 THR A 107 5.852 -5.784 0.748 1.00 0.00 O ATOM 1646 CG2 THR A 107 4.271 -4.959 2.303 1.00 0.00 C ATOM 0 H THR A 107 7.405 -4.779 2.327 1.00 0.00 H new ATOM 0 HA THR A 107 5.730 -6.505 4.020 1.00 0.00 H new ATOM 0 HB THR A 107 4.635 -7.016 1.892 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.008 -4.818 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.565 -4.822 1.484 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.725 -5.193 3.217 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.843 -4.042 2.446 1.00 0.00 H new ATOM 1654 N HIS A 108 8.270 -7.696 3.220 1.00 0.00 N ATOM 1655 CA HIS A 108 9.118 -8.859 2.981 1.00 0.00 C ATOM 1656 C HIS A 108 9.191 -9.182 1.490 1.00 0.00 C ATOM 1657 O HIS A 108 8.819 -10.273 1.057 1.00 0.00 O ATOM 1658 CB HIS A 108 8.591 -10.067 3.764 1.00 0.00 C ATOM 1659 CG HIS A 108 9.533 -10.548 4.825 1.00 0.00 C ATOM 1660 ND1 HIS A 108 10.728 -11.175 4.541 1.00 0.00 N ATOM 1661 CD2 HIS A 108 9.450 -10.492 6.175 1.00 0.00 C ATOM 1662 CE1 HIS A 108 11.339 -11.484 5.671 1.00 0.00 C ATOM 1663 NE2 HIS A 108 10.586 -11.080 6.677 1.00 0.00 N ATOM 0 H HIS A 108 8.712 -6.957 3.766 1.00 0.00 H new ATOM 0 HA HIS A 108 10.125 -8.627 3.327 1.00 0.00 H new ATOM 0 HB2 HIS A 108 7.640 -9.804 4.226 1.00 0.00 H new ATOM 0 HB3 HIS A 108 8.393 -10.882 3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 108 8.642 -10.065 6.750 1.00 0.00 H new ATOM 0 HE1 HIS A 108 12.293 -11.983 5.757 1.00 0.00 H new ATOM 0 HE2 HIS A 108 10.811 -11.187 7.666 1.00 0.00 H new ATOM 1672 N ASN A 109 9.671 -8.221 0.707 1.00 0.00 N ATOM 1673 CA ASN A 109 9.787 -8.397 -0.735 1.00 0.00 C ATOM 1674 C ASN A 109 8.415 -8.617 -1.363 1.00 0.00 C ATOM 1675 O ASN A 109 8.266 -9.407 -2.295 1.00 0.00 O ATOM 1676 CB ASN A 109 10.704 -9.580 -1.055 1.00 0.00 C ATOM 1677 CG ASN A 109 12.090 -9.415 -0.463 1.00 0.00 C ATOM 1678 OD1 ASN A 109 12.392 -8.402 0.166 1.00 0.00 O ATOM 1679 ND2 ASN A 109 12.942 -10.413 -0.665 1.00 0.00 N ATOM 0 H ASN A 109 9.986 -7.313 1.048 1.00 0.00 H new ATOM 0 HA ASN A 109 10.220 -7.489 -1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 109 10.256 -10.497 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 109 10.785 -9.691 -2.136 1.00 0.00 H new ATOM 0 HD21 ASN A 109 13.890 -10.358 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 109 12.649 -11.235 -1.193 1.00 0.00 H new ATOM 1686 N GLY A 110 7.413 -7.915 -0.842 1.00 0.00 N ATOM 1687 CA GLY A 110 6.064 -8.048 -1.359 1.00 0.00 C ATOM 1688 C GLY A 110 5.531 -9.460 -1.221 1.00 0.00 C ATOM 1689 O GLY A 110 5.372 -10.169 -2.215 1.00 0.00 O ATOM 0 H GLY A 110 7.512 -7.256 -0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.405 -7.360 -0.829 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.050 -7.758 -2.410 1.00 0.00 H new ATOM 1693 N THR A 111 5.258 -9.871 0.013 1.00 0.00 N ATOM 1694 CA THR A 111 4.744 -11.210 0.275 1.00 0.00 C ATOM 1695 C THR A 111 3.696 -11.192 1.382 1.00 0.00 C ATOM 1696 O THR A 111 2.638 -11.809 1.257 1.00 0.00 O ATOM 1697 CB THR A 111 5.888 -12.150 0.657 1.00 0.00 C ATOM 1698 OG1 THR A 111 6.640 -11.613 1.730 1.00 0.00 O ATOM 1699 CG2 THR A 111 6.845 -12.424 -0.483 1.00 0.00 C ATOM 0 H THR A 111 5.384 -9.297 0.846 1.00 0.00 H new ATOM 0 HA THR A 111 4.270 -11.572 -0.638 1.00 0.00 H new ATOM 0 HB THR A 111 5.409 -13.087 0.940 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.240 -10.916 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.632 -13.097 -0.144 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.304 -12.885 -1.309 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.289 -11.487 -0.818 1.00 0.00 H new ATOM 1707 N GLN A 112 3.995 -10.488 2.470 1.00 0.00 N ATOM 1708 CA GLN A 112 3.076 -10.401 3.598 1.00 0.00 C ATOM 1709 C GLN A 112 2.840 -8.951 4.012 1.00 0.00 C ATOM 1710 O GLN A 112 3.646 -8.362 4.731 1.00 0.00 O ATOM 1711 CB GLN A 112 3.619 -11.198 4.786 1.00 0.00 C ATOM 1712 CG GLN A 112 2.541 -11.914 5.583 1.00 0.00 C ATOM 1713 CD GLN A 112 2.873 -12.007 7.059 1.00 0.00 C ATOM 1714 OE1 GLN A 112 4.042 -12.069 7.442 1.00 0.00 O ATOM 1715 NE2 GLN A 112 1.844 -12.019 7.898 1.00 0.00 N ATOM 0 H GLN A 112 4.865 -9.971 2.593 1.00 0.00 H new ATOM 0 HA GLN A 112 2.122 -10.825 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.338 -11.932 4.422 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.161 -10.523 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.594 -11.389 5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 112 2.404 -12.918 5.181 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.891 -11.966 7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 112 2.006 -12.081 8.903 1.00 0.00 H new ATOM 1724 N LEU A 113 1.725 -8.384 3.558 1.00 0.00 N ATOM 1725 CA LEU A 113 1.381 -7.005 3.890 1.00 0.00 C ATOM 1726 C LEU A 113 0.642 -6.942 5.223 1.00 0.00 C ATOM 1727 O LEU A 113 -0.587 -6.952 5.263 1.00 0.00 O ATOM 1728 CB LEU A 113 0.523 -6.389 2.779 1.00 0.00 C ATOM 1729 CG LEU A 113 0.116 -4.921 2.983 1.00 0.00 C ATOM 1730 CD1 LEU A 113 -1.204 -4.831 3.732 1.00 0.00 C ATOM 1731 CD2 LEU A 113 1.201 -4.146 3.718 1.00 0.00 C ATOM 0 H LEU A 113 1.046 -8.857 2.961 1.00 0.00 H new ATOM 0 HA LEU A 113 2.304 -6.432 3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.069 -6.468 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -0.383 -6.986 2.672 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.012 -4.469 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -1.475 -3.784 3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.982 -5.337 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.102 -5.308 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.885 -3.111 3.848 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.373 -4.598 4.695 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.124 -4.173 3.138 1.00 0.00 H new ATOM 1743 N LEU A 114 1.404 -6.879 6.311 1.00 0.00 N ATOM 1744 CA LEU A 114 0.827 -6.817 7.650 1.00 0.00 C ATOM 1745 C LEU A 114 -0.013 -8.059 7.945 1.00 0.00 C ATOM 1746 O LEU A 114 0.453 -8.993 8.596 1.00 0.00 O ATOM 1747 CB LEU A 114 -0.026 -5.555 7.804 1.00 0.00 C ATOM 1748 CG LEU A 114 0.761 -4.245 7.866 1.00 0.00 C ATOM 1749 CD1 LEU A 114 -0.177 -3.052 7.773 1.00 0.00 C ATOM 1750 CD2 LEU A 114 1.587 -4.180 9.143 1.00 0.00 C ATOM 0 H LEU A 114 2.424 -6.870 6.291 1.00 0.00 H new ATOM 0 HA LEU A 114 1.646 -6.781 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.724 -5.503 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.622 -5.646 8.712 1.00 0.00 H new ATOM 0 HG LEU A 114 1.441 -4.211 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.402 -2.130 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.723 -3.091 6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.883 -3.079 8.603 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.141 -3.241 9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.926 -4.237 10.007 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.287 -5.015 9.166 1.00 0.00 H new ATOM 1762 N ASN A 115 -1.252 -8.062 7.462 1.00 0.00 N ATOM 1763 CA ASN A 115 -2.153 -9.189 7.675 1.00 0.00 C ATOM 1764 C ASN A 115 -2.830 -9.599 6.372 1.00 0.00 C ATOM 1765 O ASN A 115 -3.959 -10.088 6.373 1.00 0.00 O ATOM 1766 CB ASN A 115 -3.211 -8.832 8.721 1.00 0.00 C ATOM 1767 CG ASN A 115 -2.608 -8.205 9.964 1.00 0.00 C ATOM 1768 OD1 ASN A 115 -2.499 -6.982 10.066 1.00 0.00 O ATOM 1769 ND2 ASN A 115 -2.211 -9.042 10.915 1.00 0.00 N ATOM 0 H ASN A 115 -1.654 -7.297 6.921 1.00 0.00 H new ATOM 0 HA ASN A 115 -1.562 -10.030 8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -3.932 -8.142 8.283 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -3.759 -9.732 9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.796 -8.679 11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -2.321 -10.048 10.787 1.00 0.00 H new ATOM 1776 N PHE A 116 -2.131 -9.396 5.259 1.00 0.00 N ATOM 1777 CA PHE A 116 -2.665 -9.745 3.948 1.00 0.00 C ATOM 1778 C PHE A 116 -1.543 -10.128 2.987 1.00 0.00 C ATOM 1779 O PHE A 116 -0.898 -9.264 2.394 1.00 0.00 O ATOM 1780 CB PHE A 116 -3.465 -8.575 3.373 1.00 0.00 C ATOM 1781 CG PHE A 116 -4.876 -8.502 3.887 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -5.148 -7.945 5.125 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -5.928 -8.990 3.129 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -6.443 -7.877 5.600 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -7.226 -8.924 3.599 1.00 0.00 C ATOM 1786 CZ PHE A 116 -7.485 -8.367 4.836 1.00 0.00 C ATOM 0 H PHE A 116 -1.195 -8.992 5.239 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.325 -10.604 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.952 -7.643 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.487 -8.659 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.338 -7.559 5.726 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -5.732 -9.426 2.161 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -6.641 -7.441 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -8.038 -9.308 2.999 1.00 0.00 H new ATOM 0 HZ PHE A 116 -8.499 -8.315 5.205 1.00 0.00 H new ATOM 1796 N THR A 117 -1.316 -11.429 2.840 1.00 0.00 N ATOM 1797 CA THR A 117 -0.272 -11.927 1.952 1.00 0.00 C ATOM 1798 C THR A 117 -0.583 -11.584 0.499 1.00 0.00 C ATOM 1799 O THR A 117 -1.640 -11.939 -0.020 1.00 0.00 O ATOM 1800 CB THR A 117 -0.118 -13.441 2.110 1.00 0.00 C ATOM 1801 OG1 THR A 117 -1.183 -14.122 1.470 1.00 0.00 O ATOM 1802 CG2 THR A 117 -0.084 -13.893 3.553 1.00 0.00 C ATOM 0 H THR A 117 -1.841 -12.157 3.324 1.00 0.00 H new ATOM 0 HA THR A 117 0.665 -11.443 2.227 1.00 0.00 H new ATOM 0 HB THR A 117 0.840 -13.683 1.649 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.449 -13.630 0.665 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.027 -14.977 3.592 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.758 -13.423 4.062 1.00 0.00 H new ATOM 0 HG23 THR A 117 -1.012 -13.605 4.046 1.00 0.00 H new ATOM 1810 N LEU A 118 0.345 -10.889 -0.153 1.00 0.00 N ATOM 1811 CA LEU A 118 0.165 -10.498 -1.546 1.00 0.00 C ATOM 1812 C LEU A 118 1.442 -10.729 -2.349 1.00 0.00 C ATOM 1813 O LEU A 118 2.534 -10.817 -1.788 1.00 0.00 O ATOM 1814 CB LEU A 118 -0.261 -9.032 -1.637 1.00 0.00 C ATOM 1815 CG LEU A 118 0.728 -8.026 -1.046 1.00 0.00 C ATOM 1816 CD1 LEU A 118 1.717 -7.563 -2.103 1.00 0.00 C ATOM 1817 CD2 LEU A 118 -0.017 -6.841 -0.454 1.00 0.00 C ATOM 0 H LEU A 118 1.227 -10.586 0.261 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.622 -11.120 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -0.425 -8.783 -2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -1.218 -8.917 -1.129 1.00 0.00 H new ATOM 0 HG LEU A 118 1.287 -8.517 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 118 2.412 -6.848 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.272 -8.421 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.178 -7.088 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.699 -6.133 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -0.600 -6.351 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -0.685 -7.188 0.334 1.00 0.00 H new ATOM 1829 N ASP A 119 1.293 -10.832 -3.666 1.00 0.00 N ATOM 1830 CA ASP A 119 2.432 -11.060 -4.551 1.00 0.00 C ATOM 1831 C ASP A 119 3.291 -9.807 -4.680 1.00 0.00 C ATOM 1832 O ASP A 119 2.883 -8.717 -4.281 1.00 0.00 O ATOM 1833 CB ASP A 119 1.946 -11.505 -5.933 1.00 0.00 C ATOM 1834 CG ASP A 119 2.697 -12.719 -6.445 1.00 0.00 C ATOM 1835 OD1 ASP A 119 3.879 -12.572 -6.818 1.00 0.00 O ATOM 1836 OD2 ASP A 119 2.101 -13.816 -6.475 1.00 0.00 O ATOM 0 H ASP A 119 0.395 -10.761 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 119 3.045 -11.848 -4.114 1.00 0.00 H new ATOM 0 HB2 ASP A 119 0.881 -11.733 -5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 119 2.064 -10.683 -6.639 1.00 0.00 H new ATOM 1841 N ARG A 120 4.485 -9.973 -5.241 1.00 0.00 N ATOM 1842 CA ARG A 120 5.405 -8.856 -5.426 1.00 0.00 C ATOM 1843 C ARG A 120 5.469 -8.437 -6.890 1.00 0.00 C ATOM 1844 O ARG A 120 5.350 -7.256 -7.214 1.00 0.00 O ATOM 1845 CB ARG A 120 6.804 -9.236 -4.933 1.00 0.00 C ATOM 1846 CG ARG A 120 7.794 -8.081 -4.968 1.00 0.00 C ATOM 1847 CD ARG A 120 8.962 -8.366 -5.899 1.00 0.00 C ATOM 1848 NE ARG A 120 8.894 -7.571 -7.123 1.00 0.00 N ATOM 1849 CZ ARG A 120 9.935 -7.346 -7.922 1.00 0.00 C ATOM 1850 NH1 ARG A 120 11.125 -7.857 -7.632 1.00 0.00 N ATOM 1851 NH2 ARG A 120 9.786 -6.608 -9.013 1.00 0.00 N ATOM 0 H ARG A 120 4.838 -10.870 -5.575 1.00 0.00 H new ATOM 0 HA ARG A 120 5.034 -8.013 -4.842 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.731 -9.611 -3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.188 -10.052 -5.546 1.00 0.00 H new ATOM 0 HG2 ARG A 120 7.283 -7.174 -5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.169 -7.893 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 120 9.898 -8.155 -5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.971 -9.425 -6.155 1.00 0.00 H new ATOM 0 HE ARG A 120 7.995 -7.164 -7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 120 11.245 -8.425 -6.794 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.919 -7.682 -8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 120 8.874 -6.212 -9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.584 -6.436 -9.625 1.00 0.00 H new ATOM 1865 N LYS A 121 5.659 -9.413 -7.773 1.00 0.00 N ATOM 1866 CA LYS A 121 5.740 -9.145 -9.205 1.00 0.00 C ATOM 1867 C LYS A 121 4.480 -8.440 -9.700 1.00 0.00 C ATOM 1868 O LYS A 121 4.532 -7.640 -10.634 1.00 0.00 O ATOM 1869 CB LYS A 121 5.948 -10.448 -9.979 1.00 0.00 C ATOM 1870 CG LYS A 121 4.812 -11.443 -9.813 1.00 0.00 C ATOM 1871 CD LYS A 121 4.899 -12.563 -10.836 1.00 0.00 C ATOM 1872 CE LYS A 121 3.612 -13.371 -10.888 1.00 0.00 C ATOM 1873 NZ LYS A 121 3.868 -14.804 -11.200 1.00 0.00 N ATOM 0 H LYS A 121 5.760 -10.396 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 121 6.593 -8.489 -9.378 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.065 -10.217 -11.038 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.877 -10.912 -9.649 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.840 -11.864 -8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 121 3.857 -10.927 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 121 5.106 -12.143 -11.820 1.00 0.00 H new ATOM 0 HD3 LYS A 121 5.733 -13.220 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.096 -13.294 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 121 2.948 -12.948 -11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 2.966 -15.320 -11.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.337 -14.879 -12.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 4.481 -15.215 -10.467 1.00 0.00 H new ATOM 1887 N SER A 122 3.352 -8.742 -9.067 1.00 0.00 N ATOM 1888 CA SER A 122 2.080 -8.135 -9.442 1.00 0.00 C ATOM 1889 C SER A 122 2.049 -6.662 -9.053 1.00 0.00 C ATOM 1890 O SER A 122 1.398 -5.849 -9.709 1.00 0.00 O ATOM 1891 CB SER A 122 0.920 -8.878 -8.775 1.00 0.00 C ATOM 1892 OG SER A 122 0.970 -8.741 -7.366 1.00 0.00 O ATOM 0 H SER A 122 3.292 -9.403 -8.292 1.00 0.00 H new ATOM 0 HA SER A 122 1.973 -8.209 -10.524 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.028 -8.489 -9.148 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.959 -9.934 -9.042 1.00 0.00 H new ATOM 0 HG SER A 122 0.390 -9.413 -6.951 1.00 0.00 H new ATOM 1898 N VAL A 123 2.758 -6.324 -7.980 1.00 0.00 N ATOM 1899 CA VAL A 123 2.814 -4.948 -7.502 1.00 0.00 C ATOM 1900 C VAL A 123 3.398 -4.023 -8.565 1.00 0.00 C ATOM 1901 O VAL A 123 4.309 -4.404 -9.300 1.00 0.00 O ATOM 1902 CB VAL A 123 3.657 -4.835 -6.217 1.00 0.00 C ATOM 1903 CG1 VAL A 123 3.607 -3.420 -5.661 1.00 0.00 C ATOM 1904 CG2 VAL A 123 3.182 -5.840 -5.176 1.00 0.00 C ATOM 0 H VAL A 123 3.302 -6.985 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 123 1.790 -4.645 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 123 4.693 -5.064 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 123 4.209 -3.364 -4.754 1.00 0.00 H new ATOM 0 HG12 VAL A 123 4.001 -2.724 -6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.575 -3.157 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 123 3.789 -5.746 -4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.138 -5.645 -4.932 1.00 0.00 H new ATOM 0 HG23 VAL A 123 3.279 -6.850 -5.574 1.00 0.00 H new ATOM 1914 N PHE A 124 2.868 -2.807 -8.640 1.00 0.00 N ATOM 1915 CA PHE A 124 3.337 -1.828 -9.613 1.00 0.00 C ATOM 1916 C PHE A 124 2.720 -0.459 -9.346 1.00 0.00 C ATOM 1917 O PHE A 124 1.515 -0.342 -9.124 1.00 0.00 O ATOM 1918 CB PHE A 124 2.997 -2.284 -11.033 1.00 0.00 C ATOM 1919 CG PHE A 124 3.610 -1.425 -12.102 1.00 0.00 C ATOM 1920 CD1 PHE A 124 3.162 -0.130 -12.312 1.00 0.00 C ATOM 1921 CD2 PHE A 124 4.636 -1.913 -12.898 1.00 0.00 C ATOM 1922 CE1 PHE A 124 3.725 0.662 -13.294 1.00 0.00 C ATOM 1923 CE2 PHE A 124 5.203 -1.125 -13.881 1.00 0.00 C ATOM 1924 CZ PHE A 124 4.747 0.164 -14.080 1.00 0.00 C ATOM 0 H PHE A 124 2.114 -2.476 -8.039 1.00 0.00 H new ATOM 0 HA PHE A 124 4.419 -1.746 -9.515 1.00 0.00 H new ATOM 0 HB2 PHE A 124 3.334 -3.312 -11.166 1.00 0.00 H new ATOM 0 HB3 PHE A 124 1.914 -2.285 -11.156 1.00 0.00 H new ATOM 0 HD1 PHE A 124 2.364 0.264 -11.701 1.00 0.00 H new ATOM 0 HD2 PHE A 124 4.996 -2.920 -12.748 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.367 1.669 -13.447 1.00 0.00 H new ATOM 0 HE2 PHE A 124 6.002 -1.516 -14.493 1.00 0.00 H new ATOM 0 HZ PHE A 124 5.188 0.781 -14.848 1.00 0.00 H new ATOM 1934 N VAL A 125 3.555 0.575 -9.370 1.00 0.00 N ATOM 1935 CA VAL A 125 3.090 1.935 -9.131 1.00 0.00 C ATOM 1936 C VAL A 125 3.624 2.891 -10.194 1.00 0.00 C ATOM 1937 O VAL A 125 4.805 2.856 -10.539 1.00 0.00 O ATOM 1938 CB VAL A 125 3.515 2.438 -7.737 1.00 0.00 C ATOM 1939 CG1 VAL A 125 5.032 2.496 -7.623 1.00 0.00 C ATOM 1940 CG2 VAL A 125 2.897 3.798 -7.447 1.00 0.00 C ATOM 0 H VAL A 125 4.555 0.496 -9.552 1.00 0.00 H new ATOM 0 HA VAL A 125 2.001 1.913 -9.181 1.00 0.00 H new ATOM 0 HB VAL A 125 3.148 1.732 -6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 125 5.309 2.854 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 125 5.447 1.500 -7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 125 5.428 3.176 -8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 125 3.209 4.136 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 125 3.229 4.516 -8.197 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.810 3.718 -7.477 1.00 0.00 H new ATOM 1950 N ASP A 126 2.746 3.743 -10.711 1.00 0.00 N ATOM 1951 CA ASP A 126 3.128 4.708 -11.736 1.00 0.00 C ATOM 1952 C ASP A 126 2.784 6.129 -11.300 1.00 0.00 C ATOM 1953 O ASP A 126 2.166 6.337 -10.257 1.00 0.00 O ATOM 1954 CB ASP A 126 2.429 4.382 -13.058 1.00 0.00 C ATOM 1955 CG ASP A 126 3.348 4.546 -14.252 1.00 0.00 C ATOM 1956 OD1 ASP A 126 4.096 5.545 -14.294 1.00 0.00 O ATOM 1957 OD2 ASP A 126 3.319 3.676 -15.148 1.00 0.00 O ATOM 0 H ASP A 126 1.764 3.785 -10.437 1.00 0.00 H new ATOM 0 HA ASP A 126 4.207 4.643 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 126 2.057 3.358 -13.027 1.00 0.00 H new ATOM 0 HB3 ASP A 126 1.562 5.032 -13.178 1.00 0.00 H new ATOM 1962 N SER A 127 3.189 7.103 -12.109 1.00 0.00 N ATOM 1963 CA SER A 127 2.924 8.506 -11.808 1.00 0.00 C ATOM 1964 C SER A 127 1.546 8.919 -12.313 1.00 0.00 C ATOM 1965 O SER A 127 1.305 8.968 -13.519 1.00 0.00 O ATOM 1966 CB SER A 127 3.998 9.396 -12.436 1.00 0.00 C ATOM 1967 OG SER A 127 5.285 8.817 -12.299 1.00 0.00 O ATOM 0 H SER A 127 3.701 6.947 -12.977 1.00 0.00 H new ATOM 0 HA SER A 127 2.947 8.630 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.776 9.550 -13.492 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.985 10.377 -11.961 1.00 0.00 H new ATOM 0 HG SER A 127 5.953 9.404 -12.710 1.00 0.00 H new