USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 651 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 84 ASN : amide:sc= 0 X(o=-0.026,f=-0.13) USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 87 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=-0.13) USER MOD Set 2.1: A 70 GLN :FLIP amide:sc= 0.283 F(o=-0.14,f=0.53) USER MOD Set 2.2: A 109 ASN :FLIP amide:sc= 0.248 F(o=-0.14,f=0.53) USER MOD Single : A 38 ASN : amide:sc= -0.0252 X(o=-0.025,f=0) USER MOD Single : A 39 SER OG : rot 47:sc= 0.64 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 53 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.8!) USER MOD Single : A 59 SER OG : rot 72:sc= 0.125 USER MOD Single : A 74 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -129:sc= -0.0467 (180deg=-1.31!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.174 F(o=-1.8!,f=-0.17) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0173 X(o=-0.017,f=-0.017) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.0577 X(o=-0.058,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 108 GLN : amide:sc= -0.0249 X(o=-0.025,f=-0.25) USER MOD Single : A 110 ASN : amide:sc= -0.131 X(o=-0.13,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 36 -23.471 -0.251 3.500 1.00 0.00 N ATOM 2 CA GLY A 36 -23.133 -1.523 4.200 1.00 0.00 C ATOM 3 C GLY A 36 -23.418 -2.747 3.349 1.00 0.00 C ATOM 4 O GLY A 36 -24.579 -3.092 3.122 1.00 0.00 O ATOM 0 HA2 GLY A 36 -22.078 -1.513 4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -23.704 -1.587 5.126 1.00 0.00 H new ATOM 10 N GLU A 37 -22.357 -3.400 2.878 1.00 0.00 N ATOM 11 CA GLU A 37 -22.492 -4.593 2.044 1.00 0.00 C ATOM 12 C GLU A 37 -22.571 -5.859 2.896 1.00 0.00 C ATOM 13 O GLU A 37 -23.318 -6.784 2.579 1.00 0.00 O ATOM 14 CB GLU A 37 -21.317 -4.691 1.068 1.00 0.00 C ATOM 15 CG GLU A 37 -21.721 -5.155 -0.320 1.00 0.00 C ATOM 16 CD GLU A 37 -21.291 -6.582 -0.605 1.00 0.00 C ATOM 17 OE1 GLU A 37 -21.966 -7.514 -0.121 1.00 0.00 O ATOM 18 OE2 GLU A 37 -20.277 -6.766 -1.310 1.00 0.00 O ATOM 0 H GLU A 37 -21.393 -3.122 3.060 1.00 0.00 H new ATOM 0 HA GLU A 37 -23.421 -4.505 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -20.836 -3.716 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -20.576 -5.381 1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -22.803 -5.078 -0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -21.281 -4.491 -1.064 1.00 0.00 H new ATOM 25 N ASN A 38 -21.793 -5.886 3.979 1.00 0.00 N ATOM 26 CA ASN A 38 -21.763 -7.029 4.895 1.00 0.00 C ATOM 27 C ASN A 38 -21.212 -8.288 4.220 1.00 0.00 C ATOM 28 O ASN A 38 -21.527 -9.408 4.631 1.00 0.00 O ATOM 29 CB ASN A 38 -23.164 -7.299 5.457 1.00 0.00 C ATOM 30 CG ASN A 38 -23.444 -6.500 6.715 1.00 0.00 C ATOM 31 OD1 ASN A 38 -23.696 -7.065 7.780 1.00 0.00 O ATOM 32 ND2 ASN A 38 -23.401 -5.176 6.602 1.00 0.00 N ATOM 0 H ASN A 38 -21.170 -5.123 4.245 1.00 0.00 H new ATOM 0 HA ASN A 38 -21.091 -6.774 5.714 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -23.910 -7.054 4.701 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -23.267 -8.362 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -23.581 -4.589 7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -23.188 -4.748 5.701 1.00 0.00 H new ATOM 39 N SER A 39 -20.380 -8.104 3.193 1.00 0.00 N ATOM 40 CA SER A 39 -19.786 -9.230 2.478 1.00 0.00 C ATOM 41 C SER A 39 -18.670 -8.757 1.542 1.00 0.00 C ATOM 42 O SER A 39 -18.763 -8.905 0.322 1.00 0.00 O ATOM 43 CB SER A 39 -20.864 -9.983 1.686 1.00 0.00 C ATOM 44 OG SER A 39 -21.324 -11.119 2.400 1.00 0.00 O ATOM 0 H SER A 39 -20.104 -7.188 2.840 1.00 0.00 H new ATOM 0 HA SER A 39 -19.349 -9.908 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.701 -9.316 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 39 -20.461 -10.294 0.722 1.00 0.00 H new ATOM 0 HG SER A 39 -21.514 -10.867 3.328 1.00 0.00 H new ATOM 50 N ALA A 40 -17.614 -8.182 2.122 1.00 0.00 N ATOM 51 CA ALA A 40 -16.487 -7.686 1.336 1.00 0.00 C ATOM 52 C ALA A 40 -15.170 -7.799 2.104 1.00 0.00 C ATOM 53 O ALA A 40 -14.898 -7.001 3.002 1.00 0.00 O ATOM 54 CB ALA A 40 -16.736 -6.244 0.916 1.00 0.00 C ATOM 0 H ALA A 40 -17.518 -8.050 3.129 1.00 0.00 H new ATOM 0 HA ALA A 40 -16.401 -8.308 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.890 -5.884 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.643 -6.192 0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.854 -5.622 1.803 1.00 0.00 H new ATOM 60 N PRO A 41 -14.331 -8.798 1.754 1.00 0.00 N ATOM 61 CA PRO A 41 -13.029 -9.019 2.406 1.00 0.00 C ATOM 62 C PRO A 41 -12.148 -7.771 2.405 1.00 0.00 C ATOM 63 O PRO A 41 -12.287 -6.903 1.541 1.00 0.00 O ATOM 64 CB PRO A 41 -12.383 -10.111 1.549 1.00 0.00 C ATOM 65 CG PRO A 41 -13.526 -10.832 0.930 1.00 0.00 C ATOM 66 CD PRO A 41 -14.586 -9.792 0.694 1.00 0.00 C ATOM 0 HA PRO A 41 -13.149 -9.285 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.728 -9.683 0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.774 -10.781 2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.229 -11.307 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.892 -11.622 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -14.502 -9.351 -0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.588 -10.214 0.772 1.00 0.00 H new ATOM 74 N VAL A 42 -11.236 -7.694 3.374 1.00 0.00 N ATOM 75 CA VAL A 42 -10.323 -6.559 3.484 1.00 0.00 C ATOM 76 C VAL A 42 -8.891 -7.025 3.737 1.00 0.00 C ATOM 77 O VAL A 42 -8.570 -7.520 4.819 1.00 0.00 O ATOM 78 CB VAL A 42 -10.748 -5.589 4.609 1.00 0.00 C ATOM 79 CG1 VAL A 42 -12.017 -4.847 4.221 1.00 0.00 C ATOM 80 CG2 VAL A 42 -10.936 -6.330 5.929 1.00 0.00 C ATOM 0 H VAL A 42 -11.111 -8.405 4.094 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.367 -6.030 2.532 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.951 -4.859 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -12.302 -4.168 5.025 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.840 -4.276 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.820 -5.564 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.235 -5.624 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.709 -7.090 5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.999 -6.807 6.215 1.00 0.00 H new ATOM 90 N GLY A 43 -8.035 -6.871 2.728 1.00 0.00 N ATOM 91 CA GLY A 43 -6.647 -7.284 2.860 1.00 0.00 C ATOM 92 C GLY A 43 -6.396 -8.691 2.343 1.00 0.00 C ATOM 93 O GLY A 43 -5.336 -8.965 1.784 1.00 0.00 O ATOM 0 H GLY A 43 -8.278 -6.468 1.823 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.012 -6.584 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.356 -7.231 3.909 1.00 0.00 H new ATOM 97 N ALA A 44 -7.371 -9.584 2.531 1.00 0.00 N ATOM 98 CA ALA A 44 -7.247 -10.970 2.077 1.00 0.00 C ATOM 99 C ALA A 44 -7.163 -11.057 0.552 1.00 0.00 C ATOM 100 O ALA A 44 -6.413 -11.873 0.011 1.00 0.00 O ATOM 101 CB ALA A 44 -8.415 -11.803 2.590 1.00 0.00 C ATOM 0 H ALA A 44 -8.254 -9.371 2.994 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.319 -11.370 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.308 -12.831 2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.423 -11.786 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.350 -11.389 2.214 1.00 0.00 H new ATOM 107 N ALA A 45 -7.937 -10.215 -0.136 1.00 0.00 N ATOM 108 CA ALA A 45 -7.950 -10.199 -1.599 1.00 0.00 C ATOM 109 C ALA A 45 -6.610 -9.733 -2.168 1.00 0.00 C ATOM 110 O ALA A 45 -6.161 -10.232 -3.201 1.00 0.00 O ATOM 111 CB ALA A 45 -9.080 -9.315 -2.113 1.00 0.00 C ATOM 0 H ALA A 45 -8.563 -9.536 0.297 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.118 -11.221 -1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.075 -9.315 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.035 -9.700 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.940 -8.297 -1.749 1.00 0.00 H new ATOM 117 N ILE A 46 -5.976 -8.772 -1.494 1.00 0.00 N ATOM 118 CA ILE A 46 -4.689 -8.242 -1.945 1.00 0.00 C ATOM 119 C ILE A 46 -3.509 -9.008 -1.343 1.00 0.00 C ATOM 120 O ILE A 46 -2.427 -9.037 -1.929 1.00 0.00 O ATOM 121 CB ILE A 46 -4.536 -6.738 -1.616 1.00 0.00 C ATOM 122 CG1 ILE A 46 -4.827 -6.464 -0.136 1.00 0.00 C ATOM 123 CG2 ILE A 46 -5.449 -5.906 -2.505 1.00 0.00 C ATOM 124 CD1 ILE A 46 -4.085 -5.263 0.412 1.00 0.00 C ATOM 0 H ILE A 46 -6.331 -8.347 -0.638 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.678 -8.371 -3.027 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.503 -6.451 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.898 -6.310 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.559 -7.344 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.330 -4.850 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.187 -6.069 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.485 -6.202 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.338 -5.128 1.464 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.011 -5.423 0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.371 -4.372 -0.147 1.00 0.00 H new ATOM 136 N ALA A 47 -3.717 -9.627 -0.179 1.00 0.00 N ATOM 137 CA ALA A 47 -2.660 -10.388 0.490 1.00 0.00 C ATOM 138 C ALA A 47 -2.084 -11.482 -0.413 1.00 0.00 C ATOM 139 O ALA A 47 -0.917 -11.852 -0.279 1.00 0.00 O ATOM 140 CB ALA A 47 -3.179 -10.997 1.784 1.00 0.00 C ATOM 0 H ALA A 47 -4.607 -9.616 0.319 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.855 -9.690 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.380 -11.559 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.518 -10.203 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.011 -11.666 1.563 1.00 0.00 H new ATOM 146 N ASN A 48 -2.903 -11.991 -1.335 1.00 0.00 N ATOM 147 CA ASN A 48 -2.464 -13.036 -2.260 1.00 0.00 C ATOM 148 C ASN A 48 -1.513 -12.472 -3.317 1.00 0.00 C ATOM 149 O ASN A 48 -0.728 -13.212 -3.912 1.00 0.00 O ATOM 150 CB ASN A 48 -3.671 -13.693 -2.939 1.00 0.00 C ATOM 151 CG ASN A 48 -4.550 -14.446 -1.957 1.00 0.00 C ATOM 152 OD1 ASN A 48 -5.701 -14.073 -1.728 1.00 0.00 O ATOM 153 ND2 ASN A 48 -4.015 -15.513 -1.373 1.00 0.00 N ATOM 0 H ASN A 48 -3.872 -11.697 -1.461 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.928 -13.789 -1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.264 -12.927 -3.440 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.321 -14.380 -3.710 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.562 -16.058 -0.706 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.057 -15.787 -1.591 1.00 0.00 H new ATOM 160 N PHE A 49 -1.586 -11.159 -3.546 1.00 0.00 N ATOM 161 CA PHE A 49 -0.735 -10.496 -4.529 1.00 0.00 C ATOM 162 C PHE A 49 0.515 -9.889 -3.876 1.00 0.00 C ATOM 163 O PHE A 49 0.999 -8.836 -4.300 1.00 0.00 O ATOM 164 CB PHE A 49 -1.535 -9.410 -5.252 1.00 0.00 C ATOM 165 CG PHE A 49 -1.566 -9.578 -6.746 1.00 0.00 C ATOM 166 CD1 PHE A 49 -1.887 -10.800 -7.317 1.00 0.00 C ATOM 167 CD2 PHE A 49 -1.275 -8.511 -7.579 1.00 0.00 C ATOM 168 CE1 PHE A 49 -1.918 -10.953 -8.690 1.00 0.00 C ATOM 169 CE2 PHE A 49 -1.303 -8.657 -8.951 1.00 0.00 C ATOM 170 CZ PHE A 49 -1.625 -9.880 -9.508 1.00 0.00 C ATOM 0 H PHE A 49 -2.229 -10.534 -3.060 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.400 -11.243 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.557 -9.411 -4.874 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.108 -8.436 -5.013 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.116 -11.642 -6.681 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.023 -7.553 -7.150 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.171 -11.910 -9.122 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.073 -7.816 -9.589 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.647 -9.996 -10.581 1.00 0.00 H new ATOM 180 N LEU A 50 1.040 -10.563 -2.853 1.00 0.00 N ATOM 181 CA LEU A 50 2.235 -10.099 -2.153 1.00 0.00 C ATOM 182 C LEU A 50 3.216 -11.251 -1.949 1.00 0.00 C ATOM 183 O LEU A 50 2.805 -12.403 -1.799 1.00 0.00 O ATOM 184 CB LEU A 50 1.863 -9.493 -0.796 1.00 0.00 C ATOM 185 CG LEU A 50 1.424 -8.026 -0.828 1.00 0.00 C ATOM 186 CD1 LEU A 50 -0.091 -7.918 -0.769 1.00 0.00 C ATOM 187 CD2 LEU A 50 2.058 -7.253 0.320 1.00 0.00 C ATOM 0 H LEU A 50 0.654 -11.435 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 50 2.709 -9.332 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.058 -10.086 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.721 -9.583 -0.130 1.00 0.00 H new ATOM 0 HG LEU A 50 1.763 -7.589 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.382 -6.868 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.526 -8.435 -1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.453 -8.374 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.734 -6.213 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.751 -7.693 1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.144 -7.299 0.234 1.00 0.00 H new ATOM 199 N GLU A 51 4.512 -10.935 -1.935 1.00 0.00 N ATOM 200 CA GLU A 51 5.544 -11.950 -1.736 1.00 0.00 C ATOM 201 C GLU A 51 6.173 -11.819 -0.349 1.00 0.00 C ATOM 202 O GLU A 51 6.150 -10.743 0.252 1.00 0.00 O ATOM 203 CB GLU A 51 6.623 -11.855 -2.825 1.00 0.00 C ATOM 204 CG GLU A 51 7.202 -10.459 -3.014 1.00 0.00 C ATOM 205 CD GLU A 51 8.689 -10.472 -3.331 1.00 0.00 C ATOM 206 OE1 GLU A 51 9.150 -11.418 -4.002 1.00 0.00 O ATOM 207 OE2 GLU A 51 9.390 -9.529 -2.913 1.00 0.00 O ATOM 0 H GLU A 51 4.870 -9.988 -2.059 1.00 0.00 H new ATOM 0 HA GLU A 51 5.070 -12.929 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.433 -12.541 -2.578 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.198 -12.191 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.668 -9.956 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.034 -9.876 -2.108 1.00 0.00 H new ATOM 214 N PRO A 52 6.744 -12.920 0.180 1.00 0.00 N ATOM 215 CA PRO A 52 7.381 -12.931 1.506 1.00 0.00 C ATOM 216 C PRO A 52 8.544 -11.946 1.614 1.00 0.00 C ATOM 217 O PRO A 52 8.780 -11.371 2.677 1.00 0.00 O ATOM 218 CB PRO A 52 7.884 -14.374 1.661 1.00 0.00 C ATOM 219 CG PRO A 52 7.921 -14.926 0.277 1.00 0.00 C ATOM 220 CD PRO A 52 6.814 -14.240 -0.469 1.00 0.00 C ATOM 0 HA PRO A 52 6.682 -12.625 2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.872 -14.399 2.122 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.220 -14.956 2.299 1.00 0.00 H new ATOM 0 HG2 PRO A 52 8.886 -14.736 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.777 -16.006 0.283 1.00 0.00 H new ATOM 0 HD2 PRO A 52 7.036 -14.155 -1.533 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.873 -14.783 -0.382 1.00 0.00 H new ATOM 228 N GLN A 53 9.267 -11.754 0.509 1.00 0.00 N ATOM 229 CA GLN A 53 10.404 -10.835 0.487 1.00 0.00 C ATOM 230 C GLN A 53 9.940 -9.388 0.642 1.00 0.00 C ATOM 231 O GLN A 53 10.494 -8.633 1.443 1.00 0.00 O ATOM 232 CB GLN A 53 11.192 -10.993 -0.817 1.00 0.00 C ATOM 233 CG GLN A 53 12.572 -11.595 -0.623 1.00 0.00 C ATOM 234 CD GLN A 53 13.261 -11.903 -1.938 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.510 -11.009 -2.746 1.00 0.00 O ATOM 236 NE2 GLN A 53 13.571 -13.175 -2.161 1.00 0.00 N ATOM 0 H GLN A 53 9.085 -12.222 -0.379 1.00 0.00 H new ATOM 0 HA GLN A 53 11.053 -11.082 1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.623 -11.622 -1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 53 11.294 -10.017 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.188 -10.905 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.486 -12.511 -0.038 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.346 -13.885 -1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.034 -13.442 -3.030 1.00 0.00 H new ATOM 245 N ALA A 54 8.922 -9.011 -0.128 1.00 0.00 N ATOM 246 CA ALA A 54 8.381 -7.656 -0.078 1.00 0.00 C ATOM 247 C ALA A 54 7.685 -7.386 1.255 1.00 0.00 C ATOM 248 O ALA A 54 7.849 -6.315 1.841 1.00 0.00 O ATOM 249 CB ALA A 54 7.420 -7.426 -1.232 1.00 0.00 C ATOM 0 H ALA A 54 8.455 -9.626 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 54 9.214 -6.959 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.026 -6.411 -1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.946 -7.563 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.598 -8.139 -1.168 1.00 0.00 H new ATOM 255 N LEU A 55 6.911 -8.365 1.729 1.00 0.00 N ATOM 256 CA LEU A 55 6.191 -8.236 2.997 1.00 0.00 C ATOM 257 C LEU A 55 7.163 -7.998 4.151 1.00 0.00 C ATOM 258 O LEU A 55 6.910 -7.166 5.024 1.00 0.00 O ATOM 259 CB LEU A 55 5.353 -9.489 3.271 1.00 0.00 C ATOM 260 CG LEU A 55 3.860 -9.349 2.956 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.361 -10.555 2.174 1.00 0.00 C ATOM 262 CD2 LEU A 55 3.058 -9.171 4.239 1.00 0.00 C ATOM 0 H LEU A 55 6.767 -9.256 1.253 1.00 0.00 H new ATOM 0 HA LEU A 55 5.525 -7.377 2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.757 -10.314 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.464 -9.760 4.321 1.00 0.00 H new ATOM 0 HG LEU A 55 3.721 -8.462 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.299 -10.436 1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.913 -10.635 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.513 -11.459 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.000 -9.073 3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.204 -10.039 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.396 -8.274 4.758 1.00 0.00 H new ATOM 274 N GLU A 56 8.280 -8.728 4.142 1.00 0.00 N ATOM 275 CA GLU A 56 9.300 -8.592 5.179 1.00 0.00 C ATOM 276 C GLU A 56 9.825 -7.156 5.231 1.00 0.00 C ATOM 277 O GLU A 56 10.021 -6.596 6.311 1.00 0.00 O ATOM 278 CB GLU A 56 10.452 -9.566 4.913 1.00 0.00 C ATOM 279 CG GLU A 56 11.488 -9.618 6.029 1.00 0.00 C ATOM 280 CD GLU A 56 11.540 -10.964 6.731 1.00 0.00 C ATOM 281 OE1 GLU A 56 11.481 -12.004 6.040 1.00 0.00 O ATOM 282 OE2 GLU A 56 11.646 -10.977 7.975 1.00 0.00 O ATOM 0 H GLU A 56 8.500 -9.420 3.426 1.00 0.00 H new ATOM 0 HA GLU A 56 8.850 -8.830 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.043 -10.565 4.764 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.947 -9.283 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.471 -9.393 5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.264 -8.842 6.761 1.00 0.00 H new ATOM 289 N ARG A 57 10.042 -6.565 4.053 1.00 0.00 N ATOM 290 CA ARG A 57 10.535 -5.195 3.958 1.00 0.00 C ATOM 291 C ARG A 57 9.471 -4.199 4.421 1.00 0.00 C ATOM 292 O ARG A 57 9.776 -3.246 5.141 1.00 0.00 O ATOM 293 CB ARG A 57 10.952 -4.882 2.517 1.00 0.00 C ATOM 294 CG ARG A 57 11.812 -3.637 2.383 1.00 0.00 C ATOM 295 CD ARG A 57 10.962 -2.382 2.274 1.00 0.00 C ATOM 296 NE ARG A 57 11.424 -1.326 3.174 1.00 0.00 N ATOM 297 CZ ARG A 57 12.458 -0.520 2.915 1.00 0.00 C ATOM 298 NH1 ARG A 57 13.154 -0.654 1.788 1.00 0.00 N ATOM 299 NH2 ARG A 57 12.801 0.419 3.791 1.00 0.00 N ATOM 0 H ARG A 57 9.883 -7.017 3.153 1.00 0.00 H new ATOM 0 HA ARG A 57 11.403 -5.100 4.610 1.00 0.00 H new ATOM 0 HB2 ARG A 57 11.498 -5.735 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.056 -4.761 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.473 -3.556 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.447 -3.725 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.984 -2.018 1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.925 -2.626 2.504 1.00 0.00 H new ATOM 0 HE ARG A 57 10.926 -1.197 4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.899 -1.376 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.942 -0.034 1.598 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.275 0.523 4.659 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.590 1.035 3.595 1.00 0.00 H new ATOM 313 N LEU A 58 8.224 -4.428 4.003 1.00 0.00 N ATOM 314 CA LEU A 58 7.115 -3.551 4.376 1.00 0.00 C ATOM 315 C LEU A 58 6.947 -3.489 5.896 1.00 0.00 C ATOM 316 O LEU A 58 6.582 -2.448 6.442 1.00 0.00 O ATOM 317 CB LEU A 58 5.811 -4.024 3.723 1.00 0.00 C ATOM 318 CG LEU A 58 4.711 -2.961 3.620 1.00 0.00 C ATOM 319 CD1 LEU A 58 5.228 -1.715 2.912 1.00 0.00 C ATOM 320 CD2 LEU A 58 3.492 -3.520 2.898 1.00 0.00 C ATOM 0 H LEU A 58 7.959 -5.212 3.407 1.00 0.00 H new ATOM 0 HA LEU A 58 7.348 -2.549 4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.036 -4.389 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.425 -4.870 4.291 1.00 0.00 H new ATOM 0 HG LEU A 58 4.414 -2.680 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.431 -0.974 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.066 -1.300 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.557 -1.978 1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.722 -2.751 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.776 -3.833 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.104 -4.377 3.449 1.00 0.00 H new ATOM 332 N SER A 59 7.224 -4.604 6.574 1.00 0.00 N ATOM 333 CA SER A 59 7.111 -4.665 8.030 1.00 0.00 C ATOM 334 C SER A 59 8.120 -3.726 8.693 1.00 0.00 C ATOM 335 O SER A 59 7.792 -3.033 9.656 1.00 0.00 O ATOM 336 CB SER A 59 7.329 -6.096 8.529 1.00 0.00 C ATOM 337 OG SER A 59 6.272 -6.946 8.120 1.00 0.00 O ATOM 0 H SER A 59 7.528 -5.475 6.138 1.00 0.00 H new ATOM 0 HA SER A 59 6.105 -4.346 8.301 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.275 -6.478 8.146 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.401 -6.098 9.617 1.00 0.00 H new ATOM 0 HG SER A 59 6.337 -7.108 7.156 1.00 0.00 H new ATOM 343 N ARG A 60 9.347 -3.707 8.167 1.00 0.00 N ATOM 344 CA ARG A 60 10.401 -2.850 8.708 1.00 0.00 C ATOM 345 C ARG A 60 10.067 -1.372 8.507 1.00 0.00 C ATOM 346 O ARG A 60 10.212 -0.569 9.429 1.00 0.00 O ATOM 347 CB ARG A 60 11.750 -3.180 8.057 1.00 0.00 C ATOM 348 CG ARG A 60 12.935 -2.493 8.722 1.00 0.00 C ATOM 349 CD ARG A 60 13.759 -3.468 9.549 1.00 0.00 C ATOM 350 NE ARG A 60 15.084 -2.935 9.868 1.00 0.00 N ATOM 351 CZ ARG A 60 15.324 -2.058 10.847 1.00 0.00 C ATOM 352 NH1 ARG A 60 14.328 -1.599 11.603 1.00 0.00 N ATOM 353 NH2 ARG A 60 16.565 -1.637 11.069 1.00 0.00 N ATOM 0 H ARG A 60 9.633 -4.274 7.369 1.00 0.00 H new ATOM 0 HA ARG A 60 10.470 -3.042 9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.903 -4.259 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.717 -2.891 7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.567 -2.038 7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.576 -1.686 9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.229 -3.697 10.473 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.867 -4.405 9.003 1.00 0.00 H new ATOM 0 HE ARG A 60 15.874 -3.253 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.373 -1.917 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.520 -0.930 12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.332 -1.983 10.493 1.00 0.00 H new ATOM 0 HH22 ARG A 60 16.750 -0.967 11.816 1.00 0.00 H new ATOM 367 N VAL A 61 9.617 -1.015 7.301 1.00 0.00 N ATOM 368 CA VAL A 61 9.264 0.372 6.997 1.00 0.00 C ATOM 369 C VAL A 61 8.010 0.808 7.760 1.00 0.00 C ATOM 370 O VAL A 61 7.947 1.931 8.258 1.00 0.00 O ATOM 371 CB VAL A 61 9.067 0.611 5.480 1.00 0.00 C ATOM 372 CG1 VAL A 61 7.920 -0.222 4.928 1.00 0.00 C ATOM 373 CG2 VAL A 61 8.847 2.093 5.196 1.00 0.00 C ATOM 0 H VAL A 61 9.489 -1.664 6.524 1.00 0.00 H new ATOM 0 HA VAL A 61 10.107 0.981 7.324 1.00 0.00 H new ATOM 0 HB VAL A 61 9.977 0.292 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 61 7.811 -0.029 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.130 -1.280 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.996 0.045 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 61 8.710 2.242 4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.959 2.437 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.714 2.661 5.534 1.00 0.00 H new ATOM 383 N ALA A 62 7.018 -0.083 7.854 1.00 0.00 N ATOM 384 CA ALA A 62 5.773 0.222 8.564 1.00 0.00 C ATOM 385 C ALA A 62 6.037 0.584 10.027 1.00 0.00 C ATOM 386 O ALA A 62 5.318 1.397 10.611 1.00 0.00 O ATOM 387 CB ALA A 62 4.809 -0.954 8.488 1.00 0.00 C ATOM 0 H ALA A 62 7.053 -1.018 7.449 1.00 0.00 H new ATOM 0 HA ALA A 62 5.322 1.085 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.891 -0.707 9.021 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.576 -1.167 7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.268 -1.831 8.944 1.00 0.00 H new ATOM 393 N LEU A 63 7.069 -0.025 10.613 1.00 0.00 N ATOM 394 CA LEU A 63 7.427 0.233 12.007 1.00 0.00 C ATOM 395 C LEU A 63 7.955 1.655 12.190 1.00 0.00 C ATOM 396 O LEU A 63 7.745 2.271 13.235 1.00 0.00 O ATOM 397 CB LEU A 63 8.479 -0.772 12.486 1.00 0.00 C ATOM 398 CG LEU A 63 7.967 -2.196 12.722 1.00 0.00 C ATOM 399 CD1 LEU A 63 9.131 -3.160 12.901 1.00 0.00 C ATOM 400 CD2 LEU A 63 7.046 -2.239 13.934 1.00 0.00 C ATOM 0 H LEU A 63 7.671 -0.701 10.143 1.00 0.00 H new ATOM 0 HA LEU A 63 6.523 0.120 12.605 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.282 -0.810 11.750 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.914 -0.402 13.414 1.00 0.00 H new ATOM 0 HG LEU A 63 7.397 -2.505 11.846 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.747 -4.167 13.068 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.751 -3.152 12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.729 -2.853 13.759 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.692 -3.259 14.086 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.592 -1.909 14.818 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.194 -1.580 13.767 1.00 0.00 H new ATOM 412 N VAL A 64 8.644 2.170 11.172 1.00 0.00 N ATOM 413 CA VAL A 64 9.205 3.518 11.232 1.00 0.00 C ATOM 414 C VAL A 64 8.258 4.538 10.602 1.00 0.00 C ATOM 415 O VAL A 64 7.822 5.481 11.264 1.00 0.00 O ATOM 416 CB VAL A 64 10.581 3.612 10.534 1.00 0.00 C ATOM 417 CG1 VAL A 64 11.509 4.523 11.320 1.00 0.00 C ATOM 418 CG2 VAL A 64 11.212 2.236 10.353 1.00 0.00 C ATOM 0 H VAL A 64 8.826 1.675 10.299 1.00 0.00 H new ATOM 0 HA VAL A 64 9.338 3.745 12.290 1.00 0.00 H new ATOM 0 HB VAL A 64 10.424 4.036 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 64 12.474 4.580 10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.073 5.520 11.383 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.646 4.123 12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.178 2.341 9.859 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.352 1.769 11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.558 1.613 9.742 1.00 0.00 H new ATOM 428 N ARG A 65 7.942 4.342 9.324 1.00 0.00 N ATOM 429 CA ARG A 65 7.045 5.241 8.606 1.00 0.00 C ATOM 430 C ARG A 65 5.826 4.484 8.086 1.00 0.00 C ATOM 431 O ARG A 65 5.845 3.945 6.977 1.00 0.00 O ATOM 432 CB ARG A 65 7.781 5.914 7.444 1.00 0.00 C ATOM 433 CG ARG A 65 8.792 6.962 7.885 1.00 0.00 C ATOM 434 CD ARG A 65 10.205 6.588 7.460 1.00 0.00 C ATOM 435 NE ARG A 65 11.160 7.669 7.714 1.00 0.00 N ATOM 436 CZ ARG A 65 12.486 7.508 7.732 1.00 0.00 C ATOM 437 NH1 ARG A 65 13.027 6.314 7.502 1.00 0.00 N ATOM 438 NH2 ARG A 65 13.275 8.548 7.978 1.00 0.00 N ATOM 0 H ARG A 65 8.295 3.566 8.764 1.00 0.00 H new ATOM 0 HA ARG A 65 6.706 6.010 9.300 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.294 5.150 6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.050 6.382 6.785 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.526 7.928 7.457 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.754 7.072 8.969 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.520 5.693 7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.211 6.342 6.398 1.00 0.00 H new ATOM 0 HE ARG A 65 10.789 8.603 7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.428 5.511 7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.041 6.202 7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.868 9.467 8.153 1.00 0.00 H new ATOM 0 HH22 ARG A 65 14.288 8.428 7.992 1.00 0.00 H new ATOM 452 N ARG A 66 4.763 4.447 8.892 1.00 0.00 N ATOM 453 CA ARG A 66 3.532 3.756 8.506 1.00 0.00 C ATOM 454 C ARG A 66 2.943 4.359 7.230 1.00 0.00 C ATOM 455 O ARG A 66 2.349 3.648 6.422 1.00 0.00 O ATOM 456 CB ARG A 66 2.498 3.815 9.634 1.00 0.00 C ATOM 457 CG ARG A 66 2.278 2.477 10.322 1.00 0.00 C ATOM 458 CD ARG A 66 0.883 2.375 10.918 1.00 0.00 C ATOM 459 NE ARG A 66 0.887 1.676 12.202 1.00 0.00 N ATOM 460 CZ ARG A 66 1.231 2.244 13.361 1.00 0.00 C ATOM 461 NH1 ARG A 66 1.620 3.517 13.401 1.00 0.00 N ATOM 462 NH2 ARG A 66 1.194 1.532 14.482 1.00 0.00 N ATOM 0 H ARG A 66 4.730 4.886 9.812 1.00 0.00 H new ATOM 0 HA ARG A 66 3.785 2.713 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.820 4.547 10.374 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.549 4.167 9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.427 1.670 9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.021 2.346 11.109 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.471 3.375 11.051 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.228 1.851 10.222 1.00 0.00 H new ATOM 0 HE ARG A 66 0.610 0.694 12.214 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.657 4.066 12.542 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.881 3.943 14.290 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.904 0.555 14.456 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.456 1.963 15.369 1.00 0.00 H new ATOM 476 N ASP A 67 3.118 5.672 7.059 1.00 0.00 N ATOM 477 CA ASP A 67 2.611 6.375 5.881 1.00 0.00 C ATOM 478 C ASP A 67 3.133 5.738 4.597 1.00 0.00 C ATOM 479 O ASP A 67 2.376 5.518 3.650 1.00 0.00 O ATOM 480 CB ASP A 67 3.019 7.852 5.924 1.00 0.00 C ATOM 481 CG ASP A 67 2.171 8.716 5.010 1.00 0.00 C ATOM 482 OD1 ASP A 67 2.273 8.554 3.775 1.00 0.00 O ATOM 483 OD2 ASP A 67 1.408 9.556 5.529 1.00 0.00 O ATOM 0 H ASP A 67 3.609 6.270 7.724 1.00 0.00 H new ATOM 0 HA ASP A 67 1.524 6.301 5.890 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.935 8.219 6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.067 7.945 5.637 1.00 0.00 H new ATOM 488 N ARG A 68 4.433 5.446 4.575 1.00 0.00 N ATOM 489 CA ARG A 68 5.063 4.834 3.409 1.00 0.00 C ATOM 490 C ARG A 68 4.418 3.486 3.087 1.00 0.00 C ATOM 491 O ARG A 68 4.047 3.226 1.943 1.00 0.00 O ATOM 492 CB ARG A 68 6.562 4.649 3.655 1.00 0.00 C ATOM 493 CG ARG A 68 7.425 5.768 3.091 1.00 0.00 C ATOM 494 CD ARG A 68 8.835 5.711 3.661 1.00 0.00 C ATOM 495 NE ARG A 68 9.586 6.944 3.422 1.00 0.00 N ATOM 496 CZ ARG A 68 9.350 8.100 4.049 1.00 0.00 C ATOM 497 NH1 ARG A 68 8.344 8.207 4.914 1.00 0.00 N ATOM 498 NH2 ARG A 68 10.119 9.155 3.803 1.00 0.00 N ATOM 0 H ARG A 68 5.069 5.624 5.352 1.00 0.00 H new ATOM 0 HA ARG A 68 4.920 5.498 2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.737 4.575 4.728 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.878 3.703 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.465 5.689 2.005 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.974 6.732 3.324 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.783 5.523 4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.370 4.872 3.216 1.00 0.00 H new ATOM 0 HE ARG A 68 10.338 6.919 2.733 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.746 7.403 5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.171 9.093 5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.888 9.081 3.137 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.941 10.039 4.280 1.00 0.00 H new ATOM 512 N ALA A 69 4.280 2.638 4.106 1.00 0.00 N ATOM 513 CA ALA A 69 3.671 1.320 3.934 1.00 0.00 C ATOM 514 C ALA A 69 2.194 1.434 3.564 1.00 0.00 C ATOM 515 O ALA A 69 1.669 0.613 2.809 1.00 0.00 O ATOM 516 CB ALA A 69 3.831 0.494 5.201 1.00 0.00 C ATOM 0 H ALA A 69 4.582 2.841 5.059 1.00 0.00 H new ATOM 0 HA ALA A 69 4.186 0.819 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.373 -0.485 5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.891 0.369 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.344 1.004 6.032 1.00 0.00 H new ATOM 522 N GLN A 70 1.529 2.457 4.104 1.00 0.00 N ATOM 523 CA GLN A 70 0.112 2.687 3.837 1.00 0.00 C ATOM 524 C GLN A 70 -0.130 2.947 2.352 1.00 0.00 C ATOM 525 O GLN A 70 -1.127 2.495 1.790 1.00 0.00 O ATOM 526 CB GLN A 70 -0.401 3.869 4.663 1.00 0.00 C ATOM 527 CG GLN A 70 -1.755 3.619 5.305 1.00 0.00 C ATOM 528 CD GLN A 70 -2.780 4.676 4.938 1.00 0.00 C ATOM 529 OE1 GLN A 70 -2.915 4.946 3.643 1.00 0.00 O flip ATOM 530 NE2 GLN A 70 -3.441 5.245 5.806 1.00 0.00 N flip ATOM 0 H GLN A 70 1.953 3.141 4.731 1.00 0.00 H new ATOM 0 HA GLN A 70 -0.434 1.788 4.123 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.325 4.099 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.469 4.748 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.123 2.640 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.639 3.591 6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.305 5.007 6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -4.125 5.955 5.543 1.00 0.00 H new ATOM 539 N ALA A 71 0.789 3.675 1.720 1.00 0.00 N ATOM 540 CA ALA A 71 0.672 3.984 0.300 1.00 0.00 C ATOM 541 C ALA A 71 0.972 2.756 -0.559 1.00 0.00 C ATOM 542 O ALA A 71 0.389 2.590 -1.632 1.00 0.00 O ATOM 543 CB ALA A 71 1.595 5.133 -0.072 1.00 0.00 C ATOM 0 H ALA A 71 1.620 4.060 2.169 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.357 4.286 0.105 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.495 5.350 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.326 6.017 0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.626 4.856 0.146 1.00 0.00 H new ATOM 549 N VAL A 72 1.876 1.894 -0.085 1.00 0.00 N ATOM 550 CA VAL A 72 2.232 0.682 -0.822 1.00 0.00 C ATOM 551 C VAL A 72 1.030 -0.253 -0.936 1.00 0.00 C ATOM 552 O VAL A 72 0.719 -0.746 -2.022 1.00 0.00 O ATOM 553 CB VAL A 72 3.401 -0.083 -0.162 1.00 0.00 C ATOM 554 CG1 VAL A 72 3.827 -1.258 -1.033 1.00 0.00 C ATOM 555 CG2 VAL A 72 4.578 0.846 0.102 1.00 0.00 C ATOM 0 H VAL A 72 2.371 2.013 0.799 1.00 0.00 H new ATOM 0 HA VAL A 72 2.549 1.005 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 72 3.057 -0.471 0.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.651 -1.786 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.986 -1.939 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.149 -0.891 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.388 0.284 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.925 1.270 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.265 1.650 0.769 1.00 0.00 H new ATOM 565 N GLU A 73 0.355 -0.488 0.191 1.00 0.00 N ATOM 566 CA GLU A 73 -0.819 -1.360 0.214 1.00 0.00 C ATOM 567 C GLU A 73 -1.934 -0.791 -0.663 1.00 0.00 C ATOM 568 O GLU A 73 -2.617 -1.533 -1.371 1.00 0.00 O ATOM 569 CB GLU A 73 -1.328 -1.558 1.650 1.00 0.00 C ATOM 570 CG GLU A 73 -1.593 -0.261 2.407 1.00 0.00 C ATOM 571 CD GLU A 73 -2.223 -0.488 3.770 1.00 0.00 C ATOM 572 OE1 GLU A 73 -1.745 -1.376 4.508 1.00 0.00 O ATOM 573 OE2 GLU A 73 -3.194 0.225 4.100 1.00 0.00 O ATOM 0 H GLU A 73 0.601 -0.088 1.096 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.521 -2.330 -0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.248 -2.142 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.596 -2.145 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.654 0.279 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.249 0.374 1.811 1.00 0.00 H new ATOM 580 N THR A 74 -2.103 0.531 -0.614 1.00 0.00 N ATOM 581 CA THR A 74 -3.129 1.205 -1.406 1.00 0.00 C ATOM 582 C THR A 74 -2.763 1.211 -2.891 1.00 0.00 C ATOM 583 O THR A 74 -3.639 1.140 -3.753 1.00 0.00 O ATOM 584 CB THR A 74 -3.337 2.640 -0.905 1.00 0.00 C ATOM 585 OG1 THR A 74 -3.604 2.650 0.486 1.00 0.00 O ATOM 586 CG2 THR A 74 -4.482 3.355 -1.591 1.00 0.00 C ATOM 0 H THR A 74 -1.542 1.155 -0.034 1.00 0.00 H new ATOM 0 HA THR A 74 -4.061 0.652 -1.288 1.00 0.00 H new ATOM 0 HB THR A 74 -2.409 3.163 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.760 2.595 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.574 4.364 -1.189 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.289 3.407 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.409 2.809 -1.416 1.00 0.00 H new ATOM 594 N TYR A 75 -1.466 1.293 -3.186 1.00 0.00 N ATOM 595 CA TYR A 75 -0.987 1.302 -4.562 1.00 0.00 C ATOM 596 C TYR A 75 -1.259 -0.045 -5.238 1.00 0.00 C ATOM 597 O TYR A 75 -1.749 -0.094 -6.367 1.00 0.00 O ATOM 598 CB TYR A 75 0.512 1.635 -4.580 1.00 0.00 C ATOM 599 CG TYR A 75 1.244 1.197 -5.828 1.00 0.00 C ATOM 600 CD1 TYR A 75 1.681 -0.112 -5.976 1.00 0.00 C ATOM 601 CD2 TYR A 75 1.507 2.096 -6.853 1.00 0.00 C ATOM 602 CE1 TYR A 75 2.355 -0.514 -7.109 1.00 0.00 C ATOM 603 CE2 TYR A 75 2.179 1.701 -7.991 1.00 0.00 C ATOM 604 CZ TYR A 75 2.604 0.396 -8.115 1.00 0.00 C ATOM 605 OH TYR A 75 3.280 0.001 -9.248 1.00 0.00 O ATOM 0 H TYR A 75 -0.728 1.354 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.524 2.067 -5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.632 2.712 -4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.984 1.167 -3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.490 -0.828 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.180 3.121 -6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.687 -1.537 -7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.371 2.411 -8.781 1.00 0.00 H new ATOM 0 HH TYR A 75 3.371 0.763 -9.857 1.00 0.00 H new ATOM 615 N LEU A 76 -0.935 -1.134 -4.538 1.00 0.00 N ATOM 616 CA LEU A 76 -1.137 -2.482 -5.070 1.00 0.00 C ATOM 617 C LEU A 76 -2.620 -2.785 -5.284 1.00 0.00 C ATOM 618 O LEU A 76 -3.003 -3.301 -6.334 1.00 0.00 O ATOM 619 CB LEU A 76 -0.519 -3.523 -4.131 1.00 0.00 C ATOM 620 CG LEU A 76 -0.692 -4.982 -4.567 1.00 0.00 C ATOM 621 CD1 LEU A 76 0.182 -5.291 -5.776 1.00 0.00 C ATOM 622 CD2 LEU A 76 -0.370 -5.924 -3.415 1.00 0.00 C ATOM 0 H LEU A 76 -0.532 -1.108 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.640 -2.533 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.546 -3.314 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.959 -3.402 -3.141 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.733 -5.133 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.044 -6.332 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.100 -4.641 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.228 -5.122 -5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.498 -6.956 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.661 -5.770 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.042 -5.722 -2.581 1.00 0.00 H new ATOM 634 N LYS A 77 -3.453 -2.462 -4.292 1.00 0.00 N ATOM 635 CA LYS A 77 -4.892 -2.709 -4.400 1.00 0.00 C ATOM 636 C LYS A 77 -5.522 -1.815 -5.470 1.00 0.00 C ATOM 637 O LYS A 77 -6.447 -2.232 -6.167 1.00 0.00 O ATOM 638 CB LYS A 77 -5.593 -2.509 -3.049 1.00 0.00 C ATOM 639 CG LYS A 77 -5.408 -1.125 -2.446 1.00 0.00 C ATOM 640 CD LYS A 77 -6.731 -0.382 -2.334 1.00 0.00 C ATOM 641 CE LYS A 77 -6.913 0.610 -3.472 1.00 0.00 C ATOM 642 NZ LYS A 77 -7.481 1.906 -3.003 1.00 0.00 N ATOM 0 H LYS A 77 -3.160 -2.033 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.027 -3.748 -4.699 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.659 -2.698 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.218 -3.252 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.956 -1.215 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.717 -0.549 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.553 -1.098 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.774 0.145 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.951 0.789 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -7.571 0.178 -4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.301 2.158 -3.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.780 1.815 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.758 2.650 -3.080 1.00 0.00 H new ATOM 656 N LYS A 78 -5.006 -0.591 -5.606 1.00 0.00 N ATOM 657 CA LYS A 78 -5.512 0.350 -6.604 1.00 0.00 C ATOM 658 C LYS A 78 -5.207 -0.149 -8.016 1.00 0.00 C ATOM 659 O LYS A 78 -6.071 -0.123 -8.892 1.00 0.00 O ATOM 660 CB LYS A 78 -4.898 1.740 -6.394 1.00 0.00 C ATOM 661 CG LYS A 78 -5.584 2.843 -7.188 1.00 0.00 C ATOM 662 CD LYS A 78 -5.804 4.089 -6.341 1.00 0.00 C ATOM 663 CE LYS A 78 -4.758 5.157 -6.631 1.00 0.00 C ATOM 664 NZ LYS A 78 -5.322 6.292 -7.415 1.00 0.00 N ATOM 0 H LYS A 78 -4.239 -0.230 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.593 0.423 -6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.940 1.989 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.845 1.707 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.979 3.096 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.542 2.482 -7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.798 4.491 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.769 3.822 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.352 5.532 -5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.929 4.713 -7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.577 6.996 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.686 5.940 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.096 6.733 -6.879 1.00 0.00 H new ATOM 678 N LEU A 79 -3.971 -0.605 -8.227 1.00 0.00 N ATOM 679 CA LEU A 79 -3.548 -1.110 -9.533 1.00 0.00 C ATOM 680 C LEU A 79 -4.364 -2.334 -9.949 1.00 0.00 C ATOM 681 O LEU A 79 -4.841 -2.409 -11.082 1.00 0.00 O ATOM 682 CB LEU A 79 -2.057 -1.459 -9.515 1.00 0.00 C ATOM 683 CG LEU A 79 -1.131 -0.379 -10.081 1.00 0.00 C ATOM 684 CD1 LEU A 79 -1.091 0.831 -9.157 1.00 0.00 C ATOM 685 CD2 LEU A 79 0.270 -0.936 -10.295 1.00 0.00 C ATOM 0 H LEU A 79 -3.246 -0.635 -7.510 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.722 -0.320 -10.264 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.761 -1.668 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.908 -2.378 -10.082 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.525 -0.060 -11.046 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.428 1.587 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.094 1.244 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.722 0.528 -8.177 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.915 -0.155 -10.698 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.672 -1.284 -9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.227 -1.769 -10.997 1.00 0.00 H new ATOM 697 N ILE A 80 -4.525 -3.287 -9.031 1.00 0.00 N ATOM 698 CA ILE A 80 -5.289 -4.503 -9.315 1.00 0.00 C ATOM 699 C ILE A 80 -6.760 -4.176 -9.577 1.00 0.00 C ATOM 700 O ILE A 80 -7.410 -4.824 -10.399 1.00 0.00 O ATOM 701 CB ILE A 80 -5.195 -5.525 -8.158 1.00 0.00 C ATOM 702 CG1 ILE A 80 -3.731 -5.866 -7.856 1.00 0.00 C ATOM 703 CG2 ILE A 80 -5.976 -6.789 -8.500 1.00 0.00 C ATOM 704 CD1 ILE A 80 -3.516 -6.475 -6.486 1.00 0.00 C ATOM 0 H ILE A 80 -4.139 -3.242 -8.088 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.850 -4.948 -10.208 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.634 -5.076 -7.267 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.365 -6.560 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.132 -4.959 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.900 -7.498 -7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.023 -6.536 -8.665 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.564 -7.238 -9.404 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.457 -6.689 -6.345 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.850 -5.775 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.087 -7.400 -6.405 1.00 0.00 H new ATOM 716 N ALA A 81 -7.276 -3.168 -8.873 1.00 0.00 N ATOM 717 CA ALA A 81 -8.669 -2.754 -9.025 1.00 0.00 C ATOM 718 C ALA A 81 -8.913 -2.055 -10.362 1.00 0.00 C ATOM 719 O ALA A 81 -10.017 -2.120 -10.905 1.00 0.00 O ATOM 720 CB ALA A 81 -9.077 -1.842 -7.878 1.00 0.00 C ATOM 0 H ALA A 81 -6.748 -2.623 -8.191 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.281 -3.656 -9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.117 -1.541 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.965 -2.374 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.441 -0.956 -7.874 1.00 0.00 H new ATOM 726 N THR A 82 -7.891 -1.378 -10.886 1.00 0.00 N ATOM 727 CA THR A 82 -8.023 -0.665 -12.155 1.00 0.00 C ATOM 728 C THR A 82 -7.770 -1.594 -13.343 1.00 0.00 C ATOM 729 O THR A 82 -8.669 -1.832 -14.150 1.00 0.00 O ATOM 730 CB THR A 82 -7.071 0.541 -12.206 1.00 0.00 C ATOM 731 OG1 THR A 82 -7.082 1.252 -10.978 1.00 0.00 O ATOM 732 CG2 THR A 82 -7.411 1.527 -13.302 1.00 0.00 C ATOM 0 H THR A 82 -6.969 -1.309 -10.455 1.00 0.00 H new ATOM 0 HA THR A 82 -9.048 -0.301 -12.223 1.00 0.00 H new ATOM 0 HB THR A 82 -6.088 0.116 -12.407 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.603 0.736 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.700 2.353 -13.282 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.359 1.028 -14.270 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.419 1.912 -13.146 1.00 0.00 H new ATOM 740 N ASN A 83 -6.545 -2.111 -13.451 1.00 0.00 N ATOM 741 CA ASN A 83 -6.188 -3.006 -14.554 1.00 0.00 C ATOM 742 C ASN A 83 -4.824 -3.672 -14.346 1.00 0.00 C ATOM 743 O ASN A 83 -4.628 -4.820 -14.746 1.00 0.00 O ATOM 744 CB ASN A 83 -6.192 -2.239 -15.881 1.00 0.00 C ATOM 745 CG ASN A 83 -5.052 -1.241 -15.997 1.00 0.00 C ATOM 746 OD1 ASN A 83 -5.184 -0.104 -15.323 1.00 0.00 O flip ATOM 747 ND2 ASN A 83 -4.063 -1.491 -16.685 1.00 0.00 N flip ATOM 0 H ASN A 83 -5.787 -1.927 -12.793 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.939 -3.795 -14.581 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.129 -2.950 -16.705 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.140 -1.712 -15.986 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.002 -2.377 -17.187 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -3.305 -0.812 -16.753 1.00 0.00 H new ATOM 754 N ASN A 84 -3.883 -2.942 -13.737 1.00 0.00 N ATOM 755 CA ASN A 84 -2.536 -3.459 -13.493 1.00 0.00 C ATOM 756 C ASN A 84 -2.575 -4.744 -12.672 1.00 0.00 C ATOM 757 O ASN A 84 -2.635 -4.711 -11.441 1.00 0.00 O ATOM 758 CB ASN A 84 -1.686 -2.413 -12.777 1.00 0.00 C ATOM 759 CG ASN A 84 -1.001 -1.463 -13.740 1.00 0.00 C ATOM 760 OD1 ASN A 84 0.215 -1.521 -13.925 1.00 0.00 O ATOM 761 ND2 ASN A 84 -1.777 -0.580 -14.360 1.00 0.00 N ATOM 0 H ASN A 84 -4.032 -1.989 -13.404 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.088 -3.685 -14.461 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -2.316 -1.842 -12.095 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -0.933 -2.915 -12.170 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -1.369 0.084 -15.018 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -2.780 -0.566 -14.178 1.00 0.00 H new ATOM 768 N VAL A 85 -2.542 -5.869 -13.372 1.00 0.00 N ATOM 769 CA VAL A 85 -2.575 -7.182 -12.740 1.00 0.00 C ATOM 770 C VAL A 85 -1.621 -8.147 -13.453 1.00 0.00 C ATOM 771 O VAL A 85 -1.983 -9.283 -13.768 1.00 0.00 O ATOM 772 CB VAL A 85 -4.009 -7.767 -12.735 1.00 0.00 C ATOM 773 CG1 VAL A 85 -4.069 -9.044 -11.912 1.00 0.00 C ATOM 774 CG2 VAL A 85 -5.009 -6.748 -12.204 1.00 0.00 C ATOM 0 H VAL A 85 -2.492 -5.899 -14.390 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.251 -7.059 -11.707 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.276 -8.007 -13.764 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.086 -9.437 -11.923 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.390 -9.783 -12.337 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.774 -8.829 -10.885 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.009 -7.182 -12.210 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.740 -6.471 -11.185 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.995 -5.861 -12.837 1.00 0.00 H new ATOM 784 N THR A 86 -0.398 -7.681 -13.704 1.00 0.00 N ATOM 785 CA THR A 86 0.616 -8.493 -14.377 1.00 0.00 C ATOM 786 C THR A 86 1.866 -8.664 -13.504 1.00 0.00 C ATOM 787 O THR A 86 2.910 -9.105 -13.987 1.00 0.00 O ATOM 788 CB THR A 86 0.999 -7.858 -15.720 1.00 0.00 C ATOM 789 OG1 THR A 86 1.757 -6.677 -15.522 1.00 0.00 O ATOM 790 CG2 THR A 86 -0.196 -7.498 -16.579 1.00 0.00 C ATOM 0 H THR A 86 -0.085 -6.744 -13.451 1.00 0.00 H new ATOM 0 HA THR A 86 0.189 -9.480 -14.554 1.00 0.00 H new ATOM 0 HB THR A 86 1.582 -8.619 -16.239 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.992 -6.289 -16.391 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.148 -7.054 -17.513 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.773 -8.397 -16.795 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.824 -6.783 -16.047 1.00 0.00 H new ATOM 798 N HIS A 87 1.754 -8.312 -12.220 1.00 0.00 N ATOM 799 CA HIS A 87 2.871 -8.425 -11.284 1.00 0.00 C ATOM 800 C HIS A 87 2.409 -8.127 -9.857 1.00 0.00 C ATOM 801 O HIS A 87 1.309 -7.613 -9.649 1.00 0.00 O ATOM 802 CB HIS A 87 3.999 -7.464 -11.679 1.00 0.00 C ATOM 803 CG HIS A 87 3.609 -6.021 -11.594 1.00 0.00 C ATOM 804 ND1 HIS A 87 2.892 -5.376 -12.581 1.00 0.00 N ATOM 805 CD2 HIS A 87 3.830 -5.098 -10.628 1.00 0.00 C ATOM 806 CE1 HIS A 87 2.689 -4.121 -12.225 1.00 0.00 C ATOM 807 NE2 HIS A 87 3.247 -3.928 -11.044 1.00 0.00 N ATOM 0 H HIS A 87 0.897 -7.945 -11.806 1.00 0.00 H new ATOM 0 HA HIS A 87 3.247 -9.447 -11.324 1.00 0.00 H new ATOM 0 HB2 HIS A 87 4.858 -7.639 -11.032 1.00 0.00 H new ATOM 0 HB3 HIS A 87 4.316 -7.687 -12.698 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.365 -5.254 -9.703 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.157 -3.379 -12.802 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.245 -3.050 -10.525 1.00 0.00 H new ATOM 816 N LYS A 88 3.255 -8.444 -8.878 1.00 0.00 N ATOM 817 CA LYS A 88 2.927 -8.202 -7.474 1.00 0.00 C ATOM 818 C LYS A 88 3.807 -7.094 -6.892 1.00 0.00 C ATOM 819 O LYS A 88 4.445 -6.347 -7.636 1.00 0.00 O ATOM 820 CB LYS A 88 3.085 -9.493 -6.659 1.00 0.00 C ATOM 821 CG LYS A 88 2.393 -10.699 -7.279 1.00 0.00 C ATOM 822 CD LYS A 88 3.367 -11.843 -7.513 1.00 0.00 C ATOM 823 CE LYS A 88 3.603 -12.647 -6.243 1.00 0.00 C ATOM 824 NZ LYS A 88 4.549 -13.778 -6.462 1.00 0.00 N ATOM 0 H LYS A 88 4.170 -8.868 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 88 1.888 -7.877 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.147 -9.713 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.685 -9.331 -5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.588 -11.034 -6.625 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.936 -10.410 -8.225 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.978 -12.499 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.316 -11.446 -7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.997 -11.991 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.652 -13.036 -5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 4.680 -14.298 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.162 -14.419 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.465 -13.407 -6.784 1.00 0.00 H new ATOM 838 N ILE A 89 3.836 -6.986 -5.560 1.00 0.00 N ATOM 839 CA ILE A 89 4.643 -5.964 -4.891 1.00 0.00 C ATOM 840 C ILE A 89 6.106 -6.068 -5.311 1.00 0.00 C ATOM 841 O ILE A 89 6.643 -5.154 -5.930 1.00 0.00 O ATOM 842 CB ILE A 89 4.554 -6.070 -3.351 1.00 0.00 C ATOM 843 CG1 ILE A 89 3.115 -5.856 -2.871 1.00 0.00 C ATOM 844 CG2 ILE A 89 5.492 -5.067 -2.689 1.00 0.00 C ATOM 845 CD1 ILE A 89 2.548 -4.492 -3.206 1.00 0.00 C ATOM 0 H ILE A 89 3.312 -7.591 -4.927 1.00 0.00 H new ATOM 0 HA ILE A 89 4.238 -4.999 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 89 4.863 -7.075 -3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.478 -6.621 -3.314 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.079 -5.997 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.415 -5.157 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.518 -5.269 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.215 -4.057 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.527 -4.421 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 89 3.160 -3.719 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.549 -4.353 -4.287 1.00 0.00 H new ATOM 857 N THR A 90 6.735 -7.193 -4.968 1.00 0.00 N ATOM 858 CA THR A 90 8.141 -7.445 -5.302 1.00 0.00 C ATOM 859 C THR A 90 9.071 -6.458 -4.592 1.00 0.00 C ATOM 860 O THR A 90 8.796 -5.259 -4.536 1.00 0.00 O ATOM 861 CB THR A 90 8.365 -7.373 -6.822 1.00 0.00 C ATOM 862 OG1 THR A 90 7.169 -7.653 -7.532 1.00 0.00 O ATOM 863 CG2 THR A 90 9.422 -8.338 -7.316 1.00 0.00 C ATOM 0 H THR A 90 6.289 -7.952 -4.454 1.00 0.00 H new ATOM 0 HA THR A 90 8.380 -8.451 -4.956 1.00 0.00 H new ATOM 0 HB THR A 90 8.701 -6.353 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.340 -7.599 -8.495 1.00 0.00 H new ATOM 0 HG21 THR A 90 9.531 -8.237 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.373 -8.115 -6.833 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.124 -9.359 -7.076 1.00 0.00 H new ATOM 871 N GLU A 91 10.177 -6.972 -4.053 1.00 0.00 N ATOM 872 CA GLU A 91 11.151 -6.135 -3.347 1.00 0.00 C ATOM 873 C GLU A 91 11.667 -5.001 -4.237 1.00 0.00 C ATOM 874 O GLU A 91 11.925 -3.897 -3.756 1.00 0.00 O ATOM 875 CB GLU A 91 12.323 -6.985 -2.843 1.00 0.00 C ATOM 876 CG GLU A 91 13.070 -7.732 -3.939 1.00 0.00 C ATOM 877 CD GLU A 91 14.453 -7.164 -4.198 1.00 0.00 C ATOM 878 OE1 GLU A 91 14.573 -6.251 -5.042 1.00 0.00 O ATOM 879 OE2 GLU A 91 15.416 -7.634 -3.558 1.00 0.00 O ATOM 0 H GLU A 91 10.422 -7.962 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 91 10.643 -5.687 -2.493 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.025 -6.339 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.948 -7.707 -2.118 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.159 -8.782 -3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.488 -7.694 -4.860 1.00 0.00 H new ATOM 886 N ALA A 92 11.812 -5.277 -5.533 1.00 0.00 N ATOM 887 CA ALA A 92 12.295 -4.275 -6.484 1.00 0.00 C ATOM 888 C ALA A 92 11.264 -3.169 -6.713 1.00 0.00 C ATOM 889 O ALA A 92 11.604 -1.984 -6.716 1.00 0.00 O ATOM 890 CB ALA A 92 12.670 -4.931 -7.807 1.00 0.00 C ATOM 0 H ALA A 92 11.602 -6.185 -5.948 1.00 0.00 H new ATOM 0 HA ALA A 92 13.184 -3.815 -6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.027 -4.171 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.457 -5.666 -7.638 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.795 -5.426 -8.229 1.00 0.00 H new ATOM 896 N GLU A 93 10.005 -3.561 -6.914 1.00 0.00 N ATOM 897 CA GLU A 93 8.931 -2.596 -7.157 1.00 0.00 C ATOM 898 C GLU A 93 8.583 -1.807 -5.895 1.00 0.00 C ATOM 899 O GLU A 93 8.313 -0.608 -5.968 1.00 0.00 O ATOM 900 CB GLU A 93 7.681 -3.300 -7.693 1.00 0.00 C ATOM 901 CG GLU A 93 7.257 -2.818 -9.073 1.00 0.00 C ATOM 902 CD GLU A 93 7.525 -3.835 -10.168 1.00 0.00 C ATOM 903 OE1 GLU A 93 8.518 -4.587 -10.058 1.00 0.00 O ATOM 904 OE2 GLU A 93 6.741 -3.879 -11.139 1.00 0.00 O ATOM 0 H GLU A 93 9.704 -4.536 -6.913 1.00 0.00 H new ATOM 0 HA GLU A 93 9.293 -1.892 -7.906 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.867 -4.373 -7.733 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.859 -3.145 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.193 -2.582 -9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.786 -1.894 -9.307 1.00 0.00 H new ATOM 911 N ILE A 94 8.585 -2.477 -4.742 1.00 0.00 N ATOM 912 CA ILE A 94 8.256 -1.815 -3.482 1.00 0.00 C ATOM 913 C ILE A 94 9.258 -0.707 -3.152 1.00 0.00 C ATOM 914 O ILE A 94 8.873 0.344 -2.641 1.00 0.00 O ATOM 915 CB ILE A 94 8.174 -2.814 -2.303 1.00 0.00 C ATOM 916 CG1 ILE A 94 7.679 -2.105 -1.041 1.00 0.00 C ATOM 917 CG2 ILE A 94 9.520 -3.479 -2.050 1.00 0.00 C ATOM 918 CD1 ILE A 94 6.698 -2.923 -0.232 1.00 0.00 C ATOM 0 H ILE A 94 8.809 -3.468 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 94 7.271 -1.369 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 94 7.461 -3.595 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.536 -1.857 -0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 94 7.208 -1.164 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 94 9.431 -4.175 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.832 -4.021 -2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 94 10.262 -2.718 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 94 6.391 -2.357 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 94 5.823 -3.150 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.172 -3.853 0.082 1.00 0.00 H new ATOM 930 N VAL A 95 10.538 -0.933 -3.461 1.00 0.00 N ATOM 931 CA VAL A 95 11.567 0.073 -3.203 1.00 0.00 C ATOM 932 C VAL A 95 11.295 1.335 -4.021 1.00 0.00 C ATOM 933 O VAL A 95 11.395 2.450 -3.506 1.00 0.00 O ATOM 934 CB VAL A 95 12.984 -0.450 -3.529 1.00 0.00 C ATOM 935 CG1 VAL A 95 14.026 0.640 -3.314 1.00 0.00 C ATOM 936 CG2 VAL A 95 13.313 -1.676 -2.688 1.00 0.00 C ATOM 0 H VAL A 95 10.882 -1.794 -3.885 1.00 0.00 H new ATOM 0 HA VAL A 95 11.526 0.305 -2.139 1.00 0.00 H new ATOM 0 HB VAL A 95 13.004 -0.739 -4.580 1.00 0.00 H new ATOM 0 HG11 VAL A 95 15.016 0.249 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 95 13.806 1.487 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 95 14.003 0.966 -2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 95 14.315 -2.028 -2.934 1.00 0.00 H new ATOM 0 HG22 VAL A 95 13.269 -1.414 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 95 12.590 -2.465 -2.897 1.00 0.00 H new ATOM 946 N SER A 96 10.936 1.150 -5.293 1.00 0.00 N ATOM 947 CA SER A 96 10.634 2.274 -6.176 1.00 0.00 C ATOM 948 C SER A 96 9.382 3.009 -5.702 1.00 0.00 C ATOM 949 O SER A 96 9.368 4.239 -5.633 1.00 0.00 O ATOM 950 CB SER A 96 10.451 1.792 -7.619 1.00 0.00 C ATOM 951 OG SER A 96 11.069 2.681 -8.534 1.00 0.00 O ATOM 0 H SER A 96 10.848 0.234 -5.732 1.00 0.00 H new ATOM 0 HA SER A 96 11.475 2.966 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.878 0.795 -7.730 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.388 1.711 -7.847 1.00 0.00 H new ATOM 0 HG SER A 96 10.940 2.351 -9.448 1.00 0.00 H new ATOM 957 N ILE A 97 8.336 2.250 -5.362 1.00 0.00 N ATOM 958 CA ILE A 97 7.090 2.844 -4.880 1.00 0.00 C ATOM 959 C ILE A 97 7.332 3.601 -3.576 1.00 0.00 C ATOM 960 O ILE A 97 6.880 4.733 -3.417 1.00 0.00 O ATOM 961 CB ILE A 97 5.981 1.787 -4.657 1.00 0.00 C ATOM 962 CG1 ILE A 97 5.770 0.946 -5.921 1.00 0.00 C ATOM 963 CG2 ILE A 97 4.678 2.465 -4.251 1.00 0.00 C ATOM 964 CD1 ILE A 97 5.401 -0.494 -5.635 1.00 0.00 C ATOM 0 H ILE A 97 8.328 1.231 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 97 6.749 3.531 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 97 6.298 1.124 -3.852 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.984 1.401 -6.523 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.682 0.967 -6.518 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.907 1.710 -4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.830 3.021 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.363 3.150 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.267 -1.029 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.197 -0.966 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.473 -0.525 -5.064 1.00 0.00 H new ATOM 976 N LEU A 98 8.061 2.972 -2.652 1.00 0.00 N ATOM 977 CA LEU A 98 8.377 3.593 -1.368 1.00 0.00 C ATOM 978 C LEU A 98 9.138 4.903 -1.575 1.00 0.00 C ATOM 979 O LEU A 98 8.872 5.899 -0.901 1.00 0.00 O ATOM 980 CB LEU A 98 9.210 2.641 -0.504 1.00 0.00 C ATOM 981 CG LEU A 98 8.415 1.817 0.514 1.00 0.00 C ATOM 982 CD1 LEU A 98 8.928 0.385 0.564 1.00 0.00 C ATOM 983 CD2 LEU A 98 8.492 2.458 1.891 1.00 0.00 C ATOM 0 H LEU A 98 8.443 2.034 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 98 7.439 3.809 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.747 1.957 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.960 3.224 0.031 1.00 0.00 H new ATOM 0 HG LEU A 98 7.372 1.796 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.350 -0.183 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.823 -0.074 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.979 0.385 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.922 1.861 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.533 2.509 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.076 3.465 1.847 1.00 0.00 H new ATOM 995 N ASN A 99 10.083 4.891 -2.518 1.00 0.00 N ATOM 996 CA ASN A 99 10.884 6.075 -2.825 1.00 0.00 C ATOM 997 C ASN A 99 10.008 7.200 -3.375 1.00 0.00 C ATOM 998 O ASN A 99 10.194 8.368 -3.028 1.00 0.00 O ATOM 999 CB ASN A 99 11.983 5.728 -3.833 1.00 0.00 C ATOM 1000 CG ASN A 99 13.309 5.426 -3.160 1.00 0.00 C ATOM 1001 OD1 ASN A 99 14.172 6.297 -3.046 1.00 0.00 O ATOM 1002 ND2 ASN A 99 13.478 4.188 -2.708 1.00 0.00 N ATOM 0 H ASN A 99 10.311 4.072 -3.082 1.00 0.00 H new ATOM 0 HA ASN A 99 11.346 6.419 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 99 11.673 4.865 -4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.111 6.559 -4.527 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.349 3.928 -2.245 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.736 3.497 -2.824 1.00 0.00 H new ATOM 1009 N GLY A 100 9.040 6.837 -4.218 1.00 0.00 N ATOM 1010 CA GLY A 100 8.138 7.822 -4.787 1.00 0.00 C ATOM 1011 C GLY A 100 7.122 8.302 -3.772 1.00 0.00 C ATOM 1012 O GLY A 100 6.787 9.487 -3.728 1.00 0.00 O ATOM 0 H GLY A 100 8.867 5.877 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 100 8.713 8.671 -5.157 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.621 7.390 -5.644 1.00 0.00 H new ATOM 1016 N ILE A 101 6.647 7.371 -2.946 1.00 0.00 N ATOM 1017 CA ILE A 101 5.676 7.675 -1.903 1.00 0.00 C ATOM 1018 C ILE A 101 6.187 8.800 -1.002 1.00 0.00 C ATOM 1019 O ILE A 101 5.477 9.775 -0.746 1.00 0.00 O ATOM 1020 CB ILE A 101 5.378 6.416 -1.053 1.00 0.00 C ATOM 1021 CG1 ILE A 101 4.404 5.495 -1.791 1.00 0.00 C ATOM 1022 CG2 ILE A 101 4.826 6.793 0.313 1.00 0.00 C ATOM 1023 CD1 ILE A 101 4.307 4.110 -1.188 1.00 0.00 C ATOM 0 H ILE A 101 6.924 6.390 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 101 4.754 8.001 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 101 6.316 5.882 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 101 3.414 5.952 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 101 4.716 5.408 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.626 5.888 0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.555 7.406 0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.901 7.355 0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 101 3.599 3.512 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.287 3.634 -1.211 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.965 4.186 -0.156 1.00 0.00 H new ATOM 1035 N ALA A 102 7.428 8.658 -0.536 1.00 0.00 N ATOM 1036 CA ALA A 102 8.048 9.661 0.326 1.00 0.00 C ATOM 1037 C ALA A 102 8.146 11.008 -0.386 1.00 0.00 C ATOM 1038 O ALA A 102 7.976 12.060 0.232 1.00 0.00 O ATOM 1039 CB ALA A 102 9.427 9.196 0.769 1.00 0.00 C ATOM 0 H ALA A 102 8.024 7.856 -0.742 1.00 0.00 H new ATOM 0 HA ALA A 102 7.419 9.788 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.877 9.953 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.336 8.260 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.057 9.041 -0.107 1.00 0.00 H new ATOM 1045 N LYS A 103 8.420 10.964 -1.691 1.00 0.00 N ATOM 1046 CA LYS A 103 8.540 12.175 -2.501 1.00 0.00 C ATOM 1047 C LYS A 103 7.232 12.973 -2.503 1.00 0.00 C ATOM 1048 O LYS A 103 7.251 14.204 -2.510 1.00 0.00 O ATOM 1049 CB LYS A 103 8.935 11.814 -3.938 1.00 0.00 C ATOM 1050 CG LYS A 103 9.861 12.828 -4.594 1.00 0.00 C ATOM 1051 CD LYS A 103 11.001 12.148 -5.338 1.00 0.00 C ATOM 1052 CE LYS A 103 12.307 12.238 -4.561 1.00 0.00 C ATOM 1053 NZ LYS A 103 13.482 12.428 -5.459 1.00 0.00 N ATOM 0 H LYS A 103 8.563 10.098 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 103 9.318 12.798 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.422 10.839 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 103 8.031 11.718 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.291 13.446 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.268 13.494 -3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.751 11.101 -5.511 1.00 0.00 H new ATOM 0 HD3 LYS A 103 11.126 12.612 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 103 12.252 13.067 -3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 103 12.443 11.329 -3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 14.350 12.484 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 13.551 11.624 -6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 13.366 13.308 -6.000 1.00 0.00 H new ATOM 1067 N GLN A 104 6.099 12.266 -2.498 1.00 0.00 N ATOM 1068 CA GLN A 104 4.785 12.913 -2.502 1.00 0.00 C ATOM 1069 C GLN A 104 4.552 13.707 -1.215 1.00 0.00 C ATOM 1070 O GLN A 104 4.248 14.900 -1.261 1.00 0.00 O ATOM 1071 CB GLN A 104 3.677 11.870 -2.674 1.00 0.00 C ATOM 1072 CG GLN A 104 3.222 11.692 -4.115 1.00 0.00 C ATOM 1073 CD GLN A 104 2.374 12.850 -4.609 1.00 0.00 C ATOM 1074 OE1 GLN A 104 2.821 13.655 -5.425 1.00 0.00 O ATOM 1075 NE2 GLN A 104 1.143 12.939 -4.117 1.00 0.00 N ATOM 0 H GLN A 104 6.065 11.247 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 104 4.761 13.607 -3.342 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.030 10.912 -2.293 1.00 0.00 H new ATOM 0 HB3 GLN A 104 2.820 12.159 -2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.096 11.587 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 104 2.652 10.767 -4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.813 12.249 -3.442 1.00 0.00 H new ATOM 0 HE22 GLN A 104 0.528 13.697 -4.414 1.00 0.00 H new ATOM 1084 N GLN A 105 4.690 13.033 -0.071 1.00 0.00 N ATOM 1085 CA GLN A 105 4.490 13.666 1.234 1.00 0.00 C ATOM 1086 C GLN A 105 3.086 14.274 1.350 1.00 0.00 C ATOM 1087 O GLN A 105 2.902 15.320 1.978 1.00 0.00 O ATOM 1088 CB GLN A 105 5.556 14.745 1.468 1.00 0.00 C ATOM 1089 CG GLN A 105 5.978 14.880 2.923 1.00 0.00 C ATOM 1090 CD GLN A 105 6.570 16.242 3.239 1.00 0.00 C ATOM 1091 OE1 GLN A 105 7.473 16.714 2.548 1.00 0.00 O ATOM 1092 NE2 GLN A 105 6.067 16.882 4.290 1.00 0.00 N ATOM 0 H GLN A 105 4.940 12.045 -0.023 1.00 0.00 H new ATOM 0 HA GLN A 105 4.587 12.896 2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 105 6.433 14.514 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.173 15.704 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.114 14.706 3.565 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.710 14.107 3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.319 16.456 4.837 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.429 17.799 4.550 1.00 0.00 H new ATOM 1101 N ASN A 106 2.097 13.615 0.740 1.00 0.00 N ATOM 1102 CA ASN A 106 0.718 14.095 0.776 1.00 0.00 C ATOM 1103 C ASN A 106 -0.271 12.931 0.782 1.00 0.00 C ATOM 1104 O ASN A 106 -0.254 12.090 -0.120 1.00 0.00 O ATOM 1105 CB ASN A 106 0.445 15.008 -0.424 1.00 0.00 C ATOM 1106 CG ASN A 106 -0.576 16.086 -0.112 1.00 0.00 C ATOM 1107 OD1 ASN A 106 -1.645 16.138 -0.721 1.00 0.00 O ATOM 1108 ND2 ASN A 106 -0.252 16.954 0.841 1.00 0.00 N ATOM 0 H ASN A 106 2.228 12.749 0.217 1.00 0.00 H new ATOM 0 HA ASN A 106 0.582 14.662 1.697 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.377 15.476 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.090 14.407 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.900 17.700 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.645 16.874 1.320 1.00 0.00 H new ATOM 1115 N SER A 107 -1.131 12.887 1.803 1.00 0.00 N ATOM 1116 CA SER A 107 -2.126 11.822 1.926 1.00 0.00 C ATOM 1117 C SER A 107 -3.377 12.310 2.661 1.00 0.00 C ATOM 1118 O SER A 107 -3.282 13.052 3.640 1.00 0.00 O ATOM 1119 CB SER A 107 -1.529 10.620 2.665 1.00 0.00 C ATOM 1120 OG SER A 107 -0.355 10.154 2.020 1.00 0.00 O ATOM 0 H SER A 107 -1.157 13.576 2.555 1.00 0.00 H new ATOM 0 HA SER A 107 -2.416 11.521 0.919 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.296 10.900 3.692 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.264 9.817 2.713 1.00 0.00 H new ATOM 0 HG SER A 107 0.007 9.388 2.513 1.00 0.00 H new ATOM 1126 N GLN A 108 -4.550 11.882 2.182 1.00 0.00 N ATOM 1127 CA GLN A 108 -5.823 12.268 2.794 1.00 0.00 C ATOM 1128 C GLN A 108 -6.855 11.149 2.661 1.00 0.00 C ATOM 1129 O GLN A 108 -7.390 10.912 1.576 1.00 0.00 O ATOM 1130 CB GLN A 108 -6.359 13.552 2.152 1.00 0.00 C ATOM 1131 CG GLN A 108 -7.527 14.167 2.908 1.00 0.00 C ATOM 1132 CD GLN A 108 -7.427 15.677 3.015 1.00 0.00 C ATOM 1133 OE1 GLN A 108 -6.383 16.217 3.382 1.00 0.00 O ATOM 1134 NE2 GLN A 108 -8.514 16.369 2.694 1.00 0.00 N ATOM 0 H GLN A 108 -4.643 11.268 1.373 1.00 0.00 H new ATOM 0 HA GLN A 108 -5.644 12.449 3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.552 14.282 2.090 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -6.672 13.335 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -8.458 13.904 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -7.572 13.738 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -9.359 15.882 2.395 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -8.504 17.388 2.747 1.00 0.00 H new ATOM 1143 N ASN A 109 -7.130 10.462 3.770 1.00 0.00 N ATOM 1144 CA ASN A 109 -8.096 9.364 3.776 1.00 0.00 C ATOM 1145 C ASN A 109 -9.473 9.846 4.232 1.00 0.00 C ATOM 1146 O ASN A 109 -9.782 9.827 5.424 1.00 0.00 O ATOM 1147 CB ASN A 109 -7.611 8.225 4.682 1.00 0.00 C ATOM 1148 CG ASN A 109 -6.160 7.851 4.431 1.00 0.00 C ATOM 1149 OD1 ASN A 109 -5.415 7.613 5.505 1.00 0.00 O flip ATOM 1150 ND2 ASN A 109 -5.713 7.778 3.285 1.00 0.00 N flip ATOM 0 H ASN A 109 -6.698 10.647 4.675 1.00 0.00 H new ATOM 0 HA ASN A 109 -8.183 8.991 2.756 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.730 8.520 5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -8.240 7.349 4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -6.320 7.969 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -4.736 7.527 3.134 1.00 0.00 H new ATOM 1157 N ASN A 110 -10.293 10.276 3.268 1.00 0.00 N ATOM 1158 CA ASN A 110 -11.650 10.766 3.543 1.00 0.00 C ATOM 1159 C ASN A 110 -11.630 12.094 4.303 1.00 0.00 C ATOM 1160 O ASN A 110 -12.008 13.131 3.755 1.00 0.00 O ATOM 1161 CB ASN A 110 -12.462 9.727 4.327 1.00 0.00 C ATOM 1162 CG ASN A 110 -12.608 8.414 3.579 1.00 0.00 C ATOM 1163 OD1 ASN A 110 -11.920 7.438 3.877 1.00 0.00 O ATOM 1164 ND2 ASN A 110 -13.506 8.384 2.599 1.00 0.00 N ATOM 0 H ASN A 110 -10.038 10.295 2.280 1.00 0.00 H new ATOM 0 HA ASN A 110 -12.129 10.934 2.579 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.979 9.542 5.286 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -13.452 10.131 4.541 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.646 7.529 2.061 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -14.055 9.216 2.385 1.00 0.00 H new ATOM 1171 N SER A 111 -11.194 12.052 5.565 1.00 0.00 N ATOM 1172 CA SER A 111 -11.126 13.242 6.415 1.00 0.00 C ATOM 1173 C SER A 111 -12.521 13.687 6.862 1.00 0.00 C ATOM 1174 O SER A 111 -12.826 13.679 8.055 1.00 0.00 O ATOM 1175 CB SER A 111 -10.408 14.389 5.694 1.00 0.00 C ATOM 1176 OG SER A 111 -9.882 15.321 6.623 1.00 0.00 O ATOM 0 H SER A 111 -10.880 11.197 6.024 1.00 0.00 H new ATOM 0 HA SER A 111 -10.553 12.977 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 111 -9.602 13.989 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.103 14.892 5.022 1.00 0.00 H new ATOM 0 HG SER A 111 -9.427 16.043 6.141 1.00 0.00 H new ATOM 1182 N LYS A 112 -13.363 14.073 5.903 1.00 0.00 N ATOM 1183 CA LYS A 112 -14.721 14.522 6.205 1.00 0.00 C ATOM 1184 C LYS A 112 -15.705 13.349 6.209 1.00 0.00 C ATOM 1185 O LYS A 112 -16.646 13.324 7.005 1.00 0.00 O ATOM 1186 CB LYS A 112 -15.170 15.577 5.189 1.00 0.00 C ATOM 1187 CG LYS A 112 -14.322 16.842 5.202 1.00 0.00 C ATOM 1188 CD LYS A 112 -13.240 16.804 4.132 1.00 0.00 C ATOM 1189 CE LYS A 112 -13.330 18.005 3.202 1.00 0.00 C ATOM 1190 NZ LYS A 112 -11.985 18.491 2.782 1.00 0.00 N ATOM 0 H LYS A 112 -13.128 14.084 4.911 1.00 0.00 H new ATOM 0 HA LYS A 112 -14.713 14.964 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -15.141 15.142 4.190 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -16.207 15.844 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -14.961 17.710 5.043 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -13.861 16.961 6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -12.259 16.783 4.606 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -13.333 15.886 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -13.910 17.737 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -13.866 18.811 3.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.094 19.310 2.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.440 18.772 3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.482 17.731 2.281 1.00 0.00 H new ATOM 1204 N ILE A 113 -15.485 12.382 5.318 1.00 0.00 N ATOM 1205 CA ILE A 113 -16.358 11.210 5.226 1.00 0.00 C ATOM 1206 C ILE A 113 -16.111 10.223 6.376 1.00 0.00 C ATOM 1207 O ILE A 113 -16.857 9.257 6.536 1.00 0.00 O ATOM 1208 CB ILE A 113 -16.187 10.474 3.875 1.00 0.00 C ATOM 1209 CG1 ILE A 113 -16.127 11.475 2.714 1.00 0.00 C ATOM 1210 CG2 ILE A 113 -17.324 9.480 3.662 1.00 0.00 C ATOM 1211 CD1 ILE A 113 -17.317 12.414 2.652 1.00 0.00 C ATOM 0 H ILE A 113 -14.713 12.386 4.652 1.00 0.00 H new ATOM 0 HA ILE A 113 -17.379 11.584 5.298 1.00 0.00 H new ATOM 0 HB ILE A 113 -15.246 9.925 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -15.215 12.065 2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -16.061 10.925 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -17.188 8.971 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -17.322 8.746 4.468 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -18.276 10.011 3.658 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -17.202 13.091 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -18.232 11.834 2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -17.373 12.992 3.574 1.00 0.00 H new ATOM 1223 N ILE A 114 -15.072 10.473 7.181 1.00 0.00 N ATOM 1224 CA ILE A 114 -14.751 9.603 8.315 1.00 0.00 C ATOM 1225 C ILE A 114 -15.946 9.458 9.265 1.00 0.00 C ATOM 1226 O ILE A 114 -16.104 8.425 9.917 1.00 0.00 O ATOM 1227 CB ILE A 114 -13.534 10.133 9.109 1.00 0.00 C ATOM 1228 CG1 ILE A 114 -12.308 10.262 8.197 1.00 0.00 C ATOM 1229 CG2 ILE A 114 -13.227 9.219 10.289 1.00 0.00 C ATOM 1230 CD1 ILE A 114 -11.766 8.934 7.709 1.00 0.00 C ATOM 0 H ILE A 114 -14.442 11.267 7.068 1.00 0.00 H new ATOM 0 HA ILE A 114 -14.505 8.626 7.899 1.00 0.00 H new ATOM 0 HB ILE A 114 -13.781 11.123 9.494 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -12.571 10.875 7.335 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -11.520 10.790 8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -12.368 9.607 10.836 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -14.091 9.178 10.952 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -13.002 8.217 9.924 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.900 9.107 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -11.470 8.326 8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -12.537 8.413 7.142 1.00 0.00 H new ATOM 1242 N PHE A 115 -16.781 10.496 9.337 1.00 0.00 N ATOM 1243 CA PHE A 115 -17.959 10.483 10.204 1.00 0.00 C ATOM 1244 C PHE A 115 -18.893 9.323 9.850 1.00 0.00 C ATOM 1245 O PHE A 115 -19.180 8.471 10.692 1.00 0.00 O ATOM 1246 CB PHE A 115 -18.713 11.813 10.097 1.00 0.00 C ATOM 1247 CG PHE A 115 -18.209 12.878 11.038 1.00 0.00 C ATOM 1248 CD1 PHE A 115 -16.958 13.450 10.860 1.00 0.00 C ATOM 1249 CD2 PHE A 115 -18.991 13.307 12.101 1.00 0.00 C ATOM 1250 CE1 PHE A 115 -16.497 14.428 11.723 1.00 0.00 C ATOM 1251 CE2 PHE A 115 -18.534 14.285 12.966 1.00 0.00 C ATOM 1252 CZ PHE A 115 -17.287 14.845 12.777 1.00 0.00 C ATOM 0 H PHE A 115 -16.662 11.358 8.804 1.00 0.00 H new ATOM 0 HA PHE A 115 -17.618 10.346 11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -18.638 12.181 9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -19.770 11.637 10.296 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -16.336 13.128 10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -19.968 12.872 12.255 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -15.521 14.865 11.573 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -19.153 14.610 13.789 1.00 0.00 H new ATOM 0 HZ PHE A 115 -16.929 15.608 13.452 1.00 0.00 H new ATOM 1262 N GLU A 116 -19.363 9.298 8.601 1.00 0.00 N ATOM 1263 CA GLU A 116 -20.263 8.243 8.137 1.00 0.00 C ATOM 1264 C GLU A 116 -19.919 7.816 6.710 1.00 0.00 C ATOM 1265 O GLU A 116 -19.767 6.598 6.480 1.00 0.00 O ATOM 1266 CB GLU A 116 -21.725 8.708 8.213 1.00 0.00 C ATOM 1267 CG GLU A 116 -21.992 10.037 7.516 1.00 0.00 C ATOM 1268 CD GLU A 116 -23.360 10.611 7.844 1.00 0.00 C ATOM 1269 OE1 GLU A 116 -24.373 9.937 7.561 1.00 0.00 O ATOM 1270 OE2 GLU A 116 -23.417 11.740 8.378 1.00 0.00 O ATOM 1271 OXT GLU A 116 -19.803 8.702 5.835 1.00 0.00 O ATOM 0 H GLU A 116 -19.135 9.997 7.894 1.00 0.00 H new ATOM 0 HA GLU A 116 -20.134 7.382 8.792 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -22.362 7.943 7.769 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -22.014 8.795 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.224 10.754 7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.910 9.899 6.438 1.00 0.00 H new TER 1278 GLU A 116