USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1029 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 25 ASN : amide:sc= 1.1 K(o=3.3,f=-9.3!) USER MOD Set 1.2: A 106 LYS NZ :NH3+ 157:sc= 2.21 (180deg=0.991) USER MOD Set 2.1: A 6 GLN : amide:sc= -0.239 K(o=-0.92,f=-1.9) USER MOD Set 2.2: A 85 ASN : amide:sc= -0.676 K(o=-0.92,f=-0.24) USER MOD Single : A 1 GLY N :NH3+ -98:sc= 0.0543 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.134 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.46) USER MOD Single : A 14 HIS : no HE2:sc= -0.998 K(o=-1,f=-8.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= 1.13 (180deg=1.05) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl -116:sc= -1.19 (180deg=-4.05!) USER MOD Single : A 30 SER OG : rot 81:sc= 0.809 USER MOD Single : A 32 MET CE :methyl -145:sc= -4.95! (180deg=-5.49!) USER MOD Single : A 36 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.29) USER MOD Single : A 38 MET CE :methyl -154:sc= -0.0415 (180deg=-0.329) USER MOD Single : A 42 HIS : no HE2:sc= 0.373 K(o=0.37,f=-1.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 72:sc= 1.18 USER MOD Single : A 54 HIS : no HD1:sc= -2.51 K(o=-2.5,f=-5.9!) USER MOD Single : A 56 GLN : amide:sc= -0.0984 K(o=-0.098,f=-0.64) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -160:sc= -2.52! USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 75 HIS : no HD1:sc= -1.05 K(o=-1.1,f=-0.29) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -2.1! K(o=-2.1!,f=-0.047) USER MOD Single : A 84 SER OG : rot 75:sc= 2.23 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot -148:sc= 1.28 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0.246 K(o=0.25,f=-1.4!) USER MOD Single : A 95 TYR OH : rot 115:sc= 1.2 USER MOD Single : A 96 THR OG1 : rot -96:sc= 0.537 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 101 GLN : amide:sc= -0.0316 K(o=-0.032,f=-1.4) USER MOD Single : A 104 ASN : amide:sc= -0.343 K(o=-0.34,f=-7.6!) USER MOD Single : A 105 SER OG : rot 86:sc= 0.202 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -2.83! C(o=-2.8!,f=-2.8!) USER MOD Single : A 112 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 126 SER OG : rot 97:sc= 1.26 USER MOD Single : A 127 LYS NZ :NH3+ 146:sc= -0.255 (180deg=-1.12) USER MOD Single : A 128 GLN : amide:sc= 0.567 K(o=0.57,f=-1.8!) USER MOD Single : A 129 GLN : amide:sc= 0.346 X(o=0.35,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.001 -5.006 6.302 1.00 0.00 N ATOM 2 CA GLY A 1 -28.149 -3.907 6.811 1.00 0.00 C ATOM 3 C GLY A 1 -27.140 -3.460 5.781 1.00 0.00 C ATOM 4 O GLY A 1 -26.764 -4.233 4.900 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.903 -4.617 5.961 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.515 -5.489 5.520 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.185 -5.686 7.067 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.776 -3.063 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.629 -4.236 7.711 1.00 0.00 H new ATOM 10 N SER A 2 -26.707 -2.214 5.877 1.00 0.00 N ATOM 11 CA SER A 2 -25.735 -1.672 4.945 1.00 0.00 C ATOM 12 C SER A 2 -24.320 -1.742 5.518 1.00 0.00 C ATOM 13 O SER A 2 -23.348 -1.862 4.774 1.00 0.00 O ATOM 14 CB SER A 2 -26.104 -0.230 4.599 1.00 0.00 C ATOM 15 OG SER A 2 -27.512 -0.053 4.629 1.00 0.00 O ATOM 0 H SER A 2 -27.015 -1.557 6.594 1.00 0.00 H new ATOM 0 HA SER A 2 -25.752 -2.274 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.631 0.452 5.306 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.722 0.021 3.610 1.00 0.00 H new ATOM 0 HG SER A 2 -27.730 0.876 4.407 1.00 0.00 H new ATOM 21 N THR A 3 -24.211 -1.698 6.841 1.00 0.00 N ATOM 22 CA THR A 3 -22.914 -1.690 7.512 1.00 0.00 C ATOM 23 C THR A 3 -22.092 -2.936 7.173 1.00 0.00 C ATOM 24 O THR A 3 -20.908 -2.837 6.841 1.00 0.00 O ATOM 25 CB THR A 3 -23.101 -1.598 9.033 1.00 0.00 C ATOM 26 OG1 THR A 3 -24.490 -1.377 9.330 1.00 0.00 O ATOM 27 CG2 THR A 3 -22.266 -0.468 9.616 1.00 0.00 C ATOM 0 H THR A 3 -25.010 -1.667 7.474 1.00 0.00 H new ATOM 0 HA THR A 3 -22.370 -0.816 7.155 1.00 0.00 H new ATOM 0 HB THR A 3 -22.770 -2.535 9.482 1.00 0.00 H new ATOM 0 HG1 THR A 3 -24.612 -1.320 10.301 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.416 -0.424 10.695 1.00 0.00 H new ATOM 0 HG22 THR A 3 -21.212 -0.647 9.403 1.00 0.00 H new ATOM 0 HG23 THR A 3 -22.571 0.478 9.168 1.00 0.00 H new ATOM 35 N GLU A 4 -22.733 -4.100 7.218 1.00 0.00 N ATOM 36 CA GLU A 4 -22.059 -5.365 6.939 1.00 0.00 C ATOM 37 C GLU A 4 -21.806 -5.536 5.448 1.00 0.00 C ATOM 38 O GLU A 4 -21.145 -6.480 5.021 1.00 0.00 O ATOM 39 CB GLU A 4 -22.888 -6.538 7.474 1.00 0.00 C ATOM 40 CG GLU A 4 -24.197 -6.751 6.730 1.00 0.00 C ATOM 41 CD GLU A 4 -25.377 -6.079 7.403 1.00 0.00 C ATOM 42 OE1 GLU A 4 -25.229 -4.926 7.856 1.00 0.00 O ATOM 43 OE2 GLU A 4 -26.460 -6.703 7.476 1.00 0.00 O ATOM 0 H GLU A 4 -23.723 -4.194 7.446 1.00 0.00 H new ATOM 0 HA GLU A 4 -21.094 -5.352 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.293 -7.449 7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -23.103 -6.368 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -24.098 -6.367 5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -24.393 -7.820 6.649 1.00 0.00 H new ATOM 50 N LYS A 5 -22.317 -4.608 4.664 1.00 0.00 N ATOM 51 CA LYS A 5 -22.104 -4.633 3.233 1.00 0.00 C ATOM 52 C LYS A 5 -21.024 -3.631 2.888 1.00 0.00 C ATOM 53 O LYS A 5 -20.284 -3.810 1.929 1.00 0.00 O ATOM 54 CB LYS A 5 -23.397 -4.325 2.474 1.00 0.00 C ATOM 55 CG LYS A 5 -24.565 -5.219 2.861 1.00 0.00 C ATOM 56 CD LYS A 5 -24.454 -6.601 2.232 1.00 0.00 C ATOM 57 CE LYS A 5 -25.618 -7.491 2.640 1.00 0.00 C ATOM 58 NZ LYS A 5 -25.160 -8.799 3.179 1.00 0.00 N ATOM 0 H LYS A 5 -22.883 -3.827 4.995 1.00 0.00 H new ATOM 0 HA LYS A 5 -21.788 -5.632 2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -23.673 -3.286 2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -23.212 -4.427 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -24.604 -5.316 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -25.499 -4.752 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -24.429 -6.507 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -23.515 -7.066 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -26.218 -6.980 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -26.264 -7.661 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -25.985 -9.373 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -24.609 -9.300 2.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -24.565 -8.640 4.017 1.00 0.00 H new ATOM 72 N GLN A 6 -20.938 -2.580 3.694 1.00 0.00 N ATOM 73 CA GLN A 6 -19.834 -1.646 3.606 1.00 0.00 C ATOM 74 C GLN A 6 -18.535 -2.389 3.839 1.00 0.00 C ATOM 75 O GLN A 6 -17.613 -2.318 3.032 1.00 0.00 O ATOM 76 CB GLN A 6 -19.963 -0.542 4.659 1.00 0.00 C ATOM 77 CG GLN A 6 -21.125 0.405 4.437 1.00 0.00 C ATOM 78 CD GLN A 6 -21.297 1.381 5.589 1.00 0.00 C ATOM 79 OE1 GLN A 6 -20.947 1.083 6.732 1.00 0.00 O ATOM 80 NE2 GLN A 6 -21.830 2.556 5.295 1.00 0.00 N ATOM 0 H GLN A 6 -21.623 -2.357 4.416 1.00 0.00 H new ATOM 0 HA GLN A 6 -19.847 -1.191 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -20.070 -1.004 5.640 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -19.039 0.035 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -20.967 0.961 3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -22.042 -0.171 4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -22.107 2.765 4.336 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.964 3.253 6.028 1.00 0.00 H new ATOM 89 N LEU A 7 -18.499 -3.156 4.925 1.00 0.00 N ATOM 90 CA LEU A 7 -17.261 -3.809 5.341 1.00 0.00 C ATOM 91 C LEU A 7 -16.900 -4.943 4.396 1.00 0.00 C ATOM 92 O LEU A 7 -15.726 -5.193 4.137 1.00 0.00 O ATOM 93 CB LEU A 7 -17.347 -4.323 6.787 1.00 0.00 C ATOM 94 CG LEU A 7 -18.599 -5.122 7.150 1.00 0.00 C ATOM 95 CD1 LEU A 7 -18.361 -6.616 6.984 1.00 0.00 C ATOM 96 CD2 LEU A 7 -19.022 -4.812 8.576 1.00 0.00 C ATOM 0 H LEU A 7 -19.302 -3.339 5.527 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.472 -3.058 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.475 -4.948 6.980 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.281 -3.467 7.459 1.00 0.00 H new ATOM 0 HG LEU A 7 -19.399 -4.829 6.470 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.267 -7.160 7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -18.099 -6.830 5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -17.546 -6.929 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.915 -5.386 8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.217 -5.079 9.261 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -19.238 -3.748 8.668 1.00 0.00 H new ATOM 108 N GLU A 8 -17.909 -5.616 3.865 1.00 0.00 N ATOM 109 CA GLU A 8 -17.669 -6.726 2.955 1.00 0.00 C ATOM 110 C GLU A 8 -17.251 -6.229 1.575 1.00 0.00 C ATOM 111 O GLU A 8 -16.386 -6.821 0.929 1.00 0.00 O ATOM 112 CB GLU A 8 -18.906 -7.611 2.842 1.00 0.00 C ATOM 113 CG GLU A 8 -18.574 -9.084 2.669 1.00 0.00 C ATOM 114 CD GLU A 8 -19.400 -9.982 3.561 1.00 0.00 C ATOM 115 OE1 GLU A 8 -20.611 -10.135 3.300 1.00 0.00 O ATOM 116 OE2 GLU A 8 -18.840 -10.548 4.524 1.00 0.00 O ATOM 0 H GLU A 8 -18.893 -5.416 4.046 1.00 0.00 H new ATOM 0 HA GLU A 8 -16.852 -7.318 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -19.518 -7.485 3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -19.507 -7.279 1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -18.734 -9.367 1.629 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.517 -9.241 2.883 1.00 0.00 H new ATOM 123 N ALA A 9 -17.841 -5.122 1.135 1.00 0.00 N ATOM 124 CA ALA A 9 -17.559 -4.586 -0.189 1.00 0.00 C ATOM 125 C ALA A 9 -16.161 -3.997 -0.228 1.00 0.00 C ATOM 126 O ALA A 9 -15.448 -4.118 -1.225 1.00 0.00 O ATOM 127 CB ALA A 9 -18.589 -3.540 -0.584 1.00 0.00 C ATOM 0 H ALA A 9 -18.516 -4.581 1.676 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.617 -5.403 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.355 -3.156 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.581 -3.992 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.571 -2.721 0.135 1.00 0.00 H new ATOM 133 N ILE A 10 -15.759 -3.376 0.875 1.00 0.00 N ATOM 134 CA ILE A 10 -14.422 -2.819 0.976 1.00 0.00 C ATOM 135 C ILE A 10 -13.407 -3.912 1.276 1.00 0.00 C ATOM 136 O ILE A 10 -12.205 -3.728 1.086 1.00 0.00 O ATOM 137 CB ILE A 10 -14.323 -1.712 2.043 1.00 0.00 C ATOM 138 CG1 ILE A 10 -14.655 -2.263 3.430 1.00 0.00 C ATOM 139 CG2 ILE A 10 -15.234 -0.546 1.691 1.00 0.00 C ATOM 140 CD1 ILE A 10 -13.472 -2.281 4.367 1.00 0.00 C ATOM 0 H ILE A 10 -16.338 -3.248 1.705 1.00 0.00 H new ATOM 0 HA ILE A 10 -14.199 -2.367 0.010 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.296 -1.348 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -15.449 -1.661 3.871 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -15.043 -3.276 3.327 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.150 0.225 2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -14.940 -0.133 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.266 -0.894 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.779 -2.684 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -12.684 -2.906 3.947 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -13.097 -1.266 4.500 1.00 0.00 H new ATOM 152 N ASP A 11 -13.888 -5.057 1.745 1.00 0.00 N ATOM 153 CA ASP A 11 -13.020 -6.203 1.947 1.00 0.00 C ATOM 154 C ASP A 11 -12.645 -6.807 0.606 1.00 0.00 C ATOM 155 O ASP A 11 -11.579 -7.389 0.458 1.00 0.00 O ATOM 156 CB ASP A 11 -13.673 -7.262 2.829 1.00 0.00 C ATOM 157 CG ASP A 11 -12.640 -8.134 3.515 1.00 0.00 C ATOM 158 OD1 ASP A 11 -11.867 -7.599 4.341 1.00 0.00 O ATOM 159 OD2 ASP A 11 -12.588 -9.349 3.223 1.00 0.00 O ATOM 0 H ASP A 11 -14.866 -5.213 1.990 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.123 -5.854 2.459 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.296 -6.776 3.580 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.331 -7.885 2.223 1.00 0.00 H new ATOM 164 N GLN A 12 -13.521 -6.634 -0.377 1.00 0.00 N ATOM 165 CA GLN A 12 -13.271 -7.130 -1.721 1.00 0.00 C ATOM 166 C GLN A 12 -12.200 -6.298 -2.424 1.00 0.00 C ATOM 167 O GLN A 12 -11.633 -6.721 -3.427 1.00 0.00 O ATOM 168 CB GLN A 12 -14.571 -7.134 -2.523 1.00 0.00 C ATOM 169 CG GLN A 12 -15.596 -8.124 -2.001 1.00 0.00 C ATOM 170 CD GLN A 12 -14.958 -9.390 -1.463 1.00 0.00 C ATOM 171 OE1 GLN A 12 -14.634 -10.308 -2.218 1.00 0.00 O ATOM 172 NE2 GLN A 12 -14.783 -9.450 -0.153 1.00 0.00 N ATOM 0 H GLN A 12 -14.413 -6.152 -0.266 1.00 0.00 H new ATOM 0 HA GLN A 12 -12.899 -8.152 -1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.002 -6.133 -2.507 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.347 -7.368 -3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.183 -7.653 -1.212 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.288 -8.382 -2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.066 -8.667 0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.365 -10.280 0.268 1.00 0.00 H new ATOM 181 N LEU A 13 -11.925 -5.114 -1.894 1.00 0.00 N ATOM 182 CA LEU A 13 -10.803 -4.320 -2.373 1.00 0.00 C ATOM 183 C LEU A 13 -9.662 -4.375 -1.359 1.00 0.00 C ATOM 184 O LEU A 13 -8.564 -3.881 -1.609 1.00 0.00 O ATOM 185 CB LEU A 13 -11.213 -2.867 -2.657 1.00 0.00 C ATOM 186 CG LEU A 13 -12.087 -2.194 -1.598 1.00 0.00 C ATOM 187 CD1 LEU A 13 -11.314 -1.098 -0.883 1.00 0.00 C ATOM 188 CD2 LEU A 13 -13.346 -1.625 -2.234 1.00 0.00 C ATOM 0 H LEU A 13 -12.459 -4.685 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.463 -4.746 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.307 -2.273 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.745 -2.841 -3.608 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.377 -2.946 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.953 -0.631 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.439 -1.528 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.995 -0.347 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.958 -1.149 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.071 -0.888 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -13.913 -2.430 -2.703 1.00 0.00 H new ATOM 200 N HIS A 14 -9.933 -4.991 -0.209 1.00 0.00 N ATOM 201 CA HIS A 14 -8.914 -5.204 0.813 1.00 0.00 C ATOM 202 C HIS A 14 -7.773 -6.054 0.277 1.00 0.00 C ATOM 203 O HIS A 14 -6.617 -5.860 0.663 1.00 0.00 O ATOM 204 CB HIS A 14 -9.508 -5.890 2.043 1.00 0.00 C ATOM 205 CG HIS A 14 -9.797 -4.960 3.178 1.00 0.00 C ATOM 206 ND1 HIS A 14 -10.567 -5.320 4.259 1.00 0.00 N ATOM 207 CD2 HIS A 14 -9.416 -3.679 3.396 1.00 0.00 C ATOM 208 CE1 HIS A 14 -10.650 -4.305 5.096 1.00 0.00 C ATOM 209 NE2 HIS A 14 -9.962 -3.292 4.599 1.00 0.00 N ATOM 0 H HIS A 14 -10.855 -5.352 0.037 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.531 -4.223 1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -10.431 -6.393 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.818 -6.661 2.385 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.006 -6.231 4.392 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.799 -3.074 2.748 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -11.190 -4.302 6.031 1.00 0.00 H new ATOM 218 N LEU A 15 -8.087 -7.005 -0.602 1.00 0.00 N ATOM 219 CA LEU A 15 -7.052 -7.861 -1.153 1.00 0.00 C ATOM 220 C LEU A 15 -6.284 -7.141 -2.245 1.00 0.00 C ATOM 221 O LEU A 15 -5.121 -7.428 -2.483 1.00 0.00 O ATOM 222 CB LEU A 15 -7.563 -9.235 -1.646 1.00 0.00 C ATOM 223 CG LEU A 15 -8.889 -9.338 -2.426 1.00 0.00 C ATOM 224 CD1 LEU A 15 -10.085 -9.005 -1.563 1.00 0.00 C ATOM 225 CD2 LEU A 15 -8.877 -8.492 -3.682 1.00 0.00 C ATOM 0 H LEU A 15 -9.031 -7.196 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.378 -8.082 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.783 -9.662 -2.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.653 -9.879 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.984 -10.380 -2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.996 -9.091 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.132 -9.698 -0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.991 -7.986 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.831 -8.595 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.720 -7.447 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.071 -8.824 -4.337 1.00 0.00 H new ATOM 237 N GLU A 16 -6.941 -6.185 -2.884 1.00 0.00 N ATOM 238 CA GLU A 16 -6.298 -5.358 -3.895 1.00 0.00 C ATOM 239 C GLU A 16 -5.180 -4.543 -3.264 1.00 0.00 C ATOM 240 O GLU A 16 -4.116 -4.365 -3.857 1.00 0.00 O ATOM 241 CB GLU A 16 -7.318 -4.436 -4.559 1.00 0.00 C ATOM 242 CG GLU A 16 -8.487 -5.171 -5.196 1.00 0.00 C ATOM 243 CD GLU A 16 -8.058 -6.074 -6.335 1.00 0.00 C ATOM 244 OE1 GLU A 16 -7.331 -7.052 -6.086 1.00 0.00 O ATOM 245 OE2 GLU A 16 -8.450 -5.807 -7.489 1.00 0.00 O ATOM 0 H GLU A 16 -7.923 -5.962 -2.720 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.873 -6.007 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.702 -3.738 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.815 -3.843 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.994 -5.766 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.210 -4.444 -5.566 1.00 0.00 H new ATOM 252 N TYR A 17 -5.429 -4.057 -2.052 1.00 0.00 N ATOM 253 CA TYR A 17 -4.393 -3.393 -1.271 1.00 0.00 C ATOM 254 C TYR A 17 -3.228 -4.356 -1.079 1.00 0.00 C ATOM 255 O TYR A 17 -2.082 -4.028 -1.379 1.00 0.00 O ATOM 256 CB TYR A 17 -4.953 -2.952 0.094 1.00 0.00 C ATOM 257 CG TYR A 17 -4.026 -2.064 0.912 1.00 0.00 C ATOM 258 CD1 TYR A 17 -2.727 -2.458 1.225 1.00 0.00 C ATOM 259 CD2 TYR A 17 -4.464 -0.839 1.390 1.00 0.00 C ATOM 260 CE1 TYR A 17 -1.898 -1.658 1.980 1.00 0.00 C ATOM 261 CE2 TYR A 17 -3.639 -0.033 2.150 1.00 0.00 C ATOM 262 CZ TYR A 17 -2.360 -0.446 2.444 1.00 0.00 C ATOM 263 OH TYR A 17 -1.542 0.357 3.207 1.00 0.00 O ATOM 0 H TYR A 17 -6.337 -4.111 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.049 -2.504 -1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.891 -2.420 -0.069 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.188 -3.842 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.363 -3.410 0.868 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.467 -0.509 1.164 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.892 -1.979 2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.997 0.919 2.513 1.00 0.00 H new ATOM 0 HH TYR A 17 -2.022 1.176 3.451 1.00 0.00 H new ATOM 273 N ALA A 18 -3.544 -5.555 -0.615 1.00 0.00 N ATOM 274 CA ALA A 18 -2.535 -6.567 -0.331 1.00 0.00 C ATOM 275 C ALA A 18 -1.828 -7.034 -1.604 1.00 0.00 C ATOM 276 O ALA A 18 -0.701 -7.523 -1.547 1.00 0.00 O ATOM 277 CB ALA A 18 -3.167 -7.748 0.403 1.00 0.00 C ATOM 0 H ALA A 18 -4.500 -5.854 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.779 -6.116 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.404 -8.498 0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.601 -7.403 1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.948 -8.187 -0.218 1.00 0.00 H new ATOM 283 N LYS A 19 -2.489 -6.876 -2.747 1.00 0.00 N ATOM 284 CA LYS A 19 -1.909 -7.265 -4.022 1.00 0.00 C ATOM 285 C LYS A 19 -0.918 -6.222 -4.525 1.00 0.00 C ATOM 286 O LYS A 19 0.079 -6.561 -5.152 1.00 0.00 O ATOM 287 CB LYS A 19 -3.011 -7.469 -5.059 1.00 0.00 C ATOM 288 CG LYS A 19 -3.268 -8.927 -5.392 1.00 0.00 C ATOM 289 CD LYS A 19 -4.614 -9.381 -4.864 1.00 0.00 C ATOM 290 CE LYS A 19 -5.451 -10.039 -5.949 1.00 0.00 C ATOM 291 NZ LYS A 19 -5.931 -9.060 -6.958 1.00 0.00 N ATOM 0 H LYS A 19 -3.427 -6.481 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.371 -8.201 -3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.934 -7.021 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.742 -6.938 -5.972 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.232 -9.068 -6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.479 -9.545 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.465 -10.083 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.153 -8.525 -4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.860 -10.809 -6.445 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.306 -10.538 -5.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.256 -9.567 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.719 -8.509 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.155 -8.418 -7.215 1.00 0.00 H new ATOM 305 N ARG A 20 -1.199 -4.952 -4.258 1.00 0.00 N ATOM 306 CA ARG A 20 -0.331 -3.871 -4.701 1.00 0.00 C ATOM 307 C ARG A 20 0.772 -3.601 -3.693 1.00 0.00 C ATOM 308 O ARG A 20 1.905 -3.301 -4.061 1.00 0.00 O ATOM 309 CB ARG A 20 -1.150 -2.601 -4.929 1.00 0.00 C ATOM 310 CG ARG A 20 -1.147 -2.126 -6.369 1.00 0.00 C ATOM 311 CD ARG A 20 -1.699 -0.716 -6.491 1.00 0.00 C ATOM 312 NE ARG A 20 -0.927 0.111 -7.418 1.00 0.00 N ATOM 313 CZ ARG A 20 -1.437 0.689 -8.503 1.00 0.00 C ATOM 314 NH1 ARG A 20 -2.707 0.496 -8.832 1.00 0.00 N ATOM 315 NH2 ARG A 20 -0.669 1.450 -9.270 1.00 0.00 N ATOM 0 H ARG A 20 -2.021 -4.647 -3.737 1.00 0.00 H new ATOM 0 HA ARG A 20 0.134 -4.176 -5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.179 -2.781 -4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.758 -1.807 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.130 -2.155 -6.761 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.743 -2.805 -6.979 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.735 -0.763 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.704 -0.245 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 20 0.064 0.254 -7.221 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.299 -0.098 -8.252 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.092 0.942 -9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.312 1.592 -9.028 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.059 1.893 -10.102 1.00 0.00 H new ATOM 329 N ALA A 21 0.433 -3.713 -2.419 1.00 0.00 N ATOM 330 CA ALA A 21 1.402 -3.517 -1.354 1.00 0.00 C ATOM 331 C ALA A 21 2.455 -4.620 -1.372 1.00 0.00 C ATOM 332 O ALA A 21 3.551 -4.449 -0.848 1.00 0.00 O ATOM 333 CB ALA A 21 0.703 -3.473 -0.003 1.00 0.00 C ATOM 0 H ALA A 21 -0.508 -3.939 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 21 1.903 -2.563 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.442 -3.326 0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.011 -2.649 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.176 -4.412 0.165 1.00 0.00 H new ATOM 339 N ALA A 22 2.119 -5.745 -1.999 1.00 0.00 N ATOM 340 CA ALA A 22 3.021 -6.896 -2.035 1.00 0.00 C ATOM 341 C ALA A 22 4.310 -6.596 -2.820 1.00 0.00 C ATOM 342 O ALA A 22 5.400 -6.648 -2.246 1.00 0.00 O ATOM 343 CB ALA A 22 2.310 -8.129 -2.580 1.00 0.00 C ATOM 0 H ALA A 22 1.234 -5.885 -2.487 1.00 0.00 H new ATOM 0 HA ALA A 22 3.320 -7.106 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.002 -8.971 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.460 -8.371 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.958 -7.929 -3.592 1.00 0.00 H new ATOM 349 N PRO A 23 4.232 -6.266 -4.132 1.00 0.00 N ATOM 350 CA PRO A 23 5.433 -5.986 -4.925 1.00 0.00 C ATOM 351 C PRO A 23 6.098 -4.684 -4.507 1.00 0.00 C ATOM 352 O PRO A 23 7.313 -4.518 -4.655 1.00 0.00 O ATOM 353 CB PRO A 23 4.913 -5.898 -6.364 1.00 0.00 C ATOM 354 CG PRO A 23 3.478 -5.530 -6.229 1.00 0.00 C ATOM 355 CD PRO A 23 3.004 -6.152 -4.945 1.00 0.00 C ATOM 0 HA PRO A 23 6.197 -6.752 -4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.461 -5.150 -6.937 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.030 -6.848 -6.886 1.00 0.00 H new ATOM 0 HG2 PRO A 23 3.354 -4.447 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 23 2.900 -5.899 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 23 2.255 -5.531 -4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.547 -7.126 -5.118 1.00 0.00 H new ATOM 363 N PHE A 24 5.305 -3.769 -3.972 1.00 0.00 N ATOM 364 CA PHE A 24 5.833 -2.515 -3.461 1.00 0.00 C ATOM 365 C PHE A 24 6.699 -2.770 -2.234 1.00 0.00 C ATOM 366 O PHE A 24 7.791 -2.214 -2.107 1.00 0.00 O ATOM 367 CB PHE A 24 4.692 -1.558 -3.119 1.00 0.00 C ATOM 368 CG PHE A 24 5.138 -0.143 -2.869 1.00 0.00 C ATOM 369 CD1 PHE A 24 6.352 0.320 -3.358 1.00 0.00 C ATOM 370 CD2 PHE A 24 4.342 0.724 -2.144 1.00 0.00 C ATOM 371 CE1 PHE A 24 6.757 1.618 -3.125 1.00 0.00 C ATOM 372 CE2 PHE A 24 4.744 2.020 -1.907 1.00 0.00 C ATOM 373 CZ PHE A 24 5.952 2.468 -2.397 1.00 0.00 C ATOM 0 H PHE A 24 4.294 -3.872 -3.881 1.00 0.00 H new ATOM 0 HA PHE A 24 6.450 -2.055 -4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.970 -1.562 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.174 -1.927 -2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.986 -0.343 -3.927 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.393 0.381 -1.759 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.703 1.968 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.112 2.685 -1.337 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.268 3.484 -2.211 1.00 0.00 H new ATOM 383 N ASN A 25 6.228 -3.639 -1.350 1.00 0.00 N ATOM 384 CA ASN A 25 6.986 -3.984 -0.155 1.00 0.00 C ATOM 385 C ASN A 25 8.232 -4.756 -0.546 1.00 0.00 C ATOM 386 O ASN A 25 9.265 -4.686 0.118 1.00 0.00 O ATOM 387 CB ASN A 25 6.141 -4.809 0.821 1.00 0.00 C ATOM 388 CG ASN A 25 6.691 -4.775 2.234 1.00 0.00 C ATOM 389 OD1 ASN A 25 7.098 -3.723 2.730 1.00 0.00 O ATOM 390 ND2 ASN A 25 6.713 -5.926 2.888 1.00 0.00 N ATOM 0 H ASN A 25 5.330 -4.115 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 25 7.272 -3.060 0.348 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.119 -4.430 0.823 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.097 -5.842 0.476 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.077 -5.965 3.840 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.366 -6.774 2.440 1.00 0.00 H new ATOM 397 N ASN A 26 8.127 -5.459 -1.660 1.00 0.00 N ATOM 398 CA ASN A 26 9.242 -6.221 -2.200 1.00 0.00 C ATOM 399 C ASN A 26 10.321 -5.272 -2.710 1.00 0.00 C ATOM 400 O ASN A 26 11.519 -5.532 -2.572 1.00 0.00 O ATOM 401 CB ASN A 26 8.766 -7.135 -3.330 1.00 0.00 C ATOM 402 CG ASN A 26 8.889 -8.604 -2.976 1.00 0.00 C ATOM 403 OD1 ASN A 26 9.991 -9.120 -2.799 1.00 0.00 O ATOM 404 ND2 ASN A 26 7.761 -9.287 -2.873 1.00 0.00 N ATOM 0 H ASN A 26 7.272 -5.519 -2.214 1.00 0.00 H new ATOM 0 HA ASN A 26 9.660 -6.841 -1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.726 -6.907 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.348 -6.931 -4.229 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.785 -10.279 -2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.867 -8.821 -3.028 1.00 0.00 H new ATOM 411 N TRP A 27 9.880 -4.163 -3.297 1.00 0.00 N ATOM 412 CA TRP A 27 10.789 -3.116 -3.732 1.00 0.00 C ATOM 413 C TRP A 27 11.453 -2.489 -2.516 1.00 0.00 C ATOM 414 O TRP A 27 12.670 -2.325 -2.474 1.00 0.00 O ATOM 415 CB TRP A 27 10.041 -2.041 -4.534 1.00 0.00 C ATOM 416 CG TRP A 27 10.877 -0.828 -4.807 1.00 0.00 C ATOM 417 CD1 TRP A 27 11.772 -0.656 -5.823 1.00 0.00 C ATOM 418 CD2 TRP A 27 10.909 0.379 -4.040 1.00 0.00 C ATOM 419 NE1 TRP A 27 12.358 0.584 -5.730 1.00 0.00 N ATOM 420 CE2 TRP A 27 11.843 1.238 -4.646 1.00 0.00 C ATOM 421 CE3 TRP A 27 10.237 0.811 -2.901 1.00 0.00 C ATOM 422 CZ2 TRP A 27 12.119 2.506 -4.148 1.00 0.00 C ATOM 423 CZ3 TRP A 27 10.509 2.068 -2.405 1.00 0.00 C ATOM 424 CH2 TRP A 27 11.443 2.904 -3.028 1.00 0.00 C ATOM 0 H TRP A 27 8.896 -3.969 -3.481 1.00 0.00 H new ATOM 0 HA TRP A 27 11.548 -3.556 -4.379 1.00 0.00 H new ATOM 0 HB2 TRP A 27 9.709 -2.467 -5.481 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.147 -1.744 -3.987 1.00 0.00 H new ATOM 0 HD1 TRP A 27 11.988 -1.387 -6.588 1.00 0.00 H new ATOM 0 HE1 TRP A 27 13.063 0.956 -6.367 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.515 0.173 -2.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 12.840 3.152 -4.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 9.993 2.413 -1.521 1.00 0.00 H new ATOM 0 HH2 TRP A 27 11.634 3.884 -2.615 1.00 0.00 H new ATOM 435 N MET A 28 10.633 -2.156 -1.522 1.00 0.00 N ATOM 436 CA MET A 28 11.112 -1.550 -0.285 1.00 0.00 C ATOM 437 C MET A 28 12.181 -2.412 0.362 1.00 0.00 C ATOM 438 O MET A 28 13.187 -1.901 0.846 1.00 0.00 O ATOM 439 CB MET A 28 9.952 -1.350 0.689 1.00 0.00 C ATOM 440 CG MET A 28 8.927 -0.342 0.209 1.00 0.00 C ATOM 441 SD MET A 28 7.749 0.118 1.487 1.00 0.00 S ATOM 442 CE MET A 28 7.168 1.674 0.824 1.00 0.00 C ATOM 0 H MET A 28 9.623 -2.298 -1.552 1.00 0.00 H new ATOM 0 HA MET A 28 11.548 -0.581 -0.530 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.458 -2.307 0.855 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.348 -1.024 1.651 1.00 0.00 H new ATOM 0 HG2 MET A 28 9.441 0.552 -0.143 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.388 -0.756 -0.643 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.445 2.483 1.500 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.621 1.845 -0.152 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.083 1.643 0.720 1.00 0.00 H new ATOM 452 N GLU A 29 11.953 -3.719 0.361 1.00 0.00 N ATOM 453 CA GLU A 29 12.907 -4.668 0.905 1.00 0.00 C ATOM 454 C GLU A 29 14.236 -4.559 0.179 1.00 0.00 C ATOM 455 O GLU A 29 15.262 -4.274 0.789 1.00 0.00 O ATOM 456 CB GLU A 29 12.365 -6.086 0.772 1.00 0.00 C ATOM 457 CG GLU A 29 12.257 -6.817 2.095 1.00 0.00 C ATOM 458 CD GLU A 29 11.213 -6.217 3.005 1.00 0.00 C ATOM 459 OE1 GLU A 29 11.410 -5.079 3.477 1.00 0.00 O ATOM 460 OE2 GLU A 29 10.183 -6.880 3.247 1.00 0.00 O ATOM 0 H GLU A 29 11.106 -4.146 -0.015 1.00 0.00 H new ATOM 0 HA GLU A 29 13.061 -4.438 1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.381 -6.048 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.013 -6.653 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.014 -7.863 1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.225 -6.799 2.596 1.00 0.00 H new ATOM 467 N SER A 30 14.196 -4.764 -1.128 1.00 0.00 N ATOM 468 CA SER A 30 15.395 -4.724 -1.950 1.00 0.00 C ATOM 469 C SER A 30 16.116 -3.384 -1.815 1.00 0.00 C ATOM 470 O SER A 30 17.338 -3.337 -1.725 1.00 0.00 O ATOM 471 CB SER A 30 15.026 -4.987 -3.411 1.00 0.00 C ATOM 472 OG SER A 30 14.127 -6.081 -3.520 1.00 0.00 O ATOM 0 H SER A 30 13.339 -4.961 -1.645 1.00 0.00 H new ATOM 0 HA SER A 30 16.076 -5.502 -1.604 1.00 0.00 H new ATOM 0 HB2 SER A 30 14.572 -4.094 -3.841 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.928 -5.195 -3.986 1.00 0.00 H new ATOM 0 HG SER A 30 13.216 -5.777 -3.325 1.00 0.00 H new ATOM 478 N ALA A 31 15.351 -2.298 -1.774 1.00 0.00 N ATOM 479 CA ALA A 31 15.929 -0.962 -1.682 1.00 0.00 C ATOM 480 C ALA A 31 16.548 -0.719 -0.311 1.00 0.00 C ATOM 481 O ALA A 31 17.723 -0.378 -0.207 1.00 0.00 O ATOM 482 CB ALA A 31 14.880 0.096 -1.976 1.00 0.00 C ATOM 0 H ALA A 31 14.332 -2.316 -1.803 1.00 0.00 H new ATOM 0 HA ALA A 31 16.720 -0.893 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.331 1.086 -1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.488 -0.050 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.067 0.013 -1.254 1.00 0.00 H new ATOM 488 N MET A 32 15.755 -0.907 0.736 1.00 0.00 N ATOM 489 CA MET A 32 16.209 -0.653 2.098 1.00 0.00 C ATOM 490 C MET A 32 17.359 -1.573 2.475 1.00 0.00 C ATOM 491 O MET A 32 18.266 -1.176 3.202 1.00 0.00 O ATOM 492 CB MET A 32 15.062 -0.835 3.089 1.00 0.00 C ATOM 493 CG MET A 32 15.076 0.175 4.221 1.00 0.00 C ATOM 494 SD MET A 32 13.738 -0.084 5.402 1.00 0.00 S ATOM 495 CE MET A 32 12.323 -0.073 4.306 1.00 0.00 C ATOM 0 H MET A 32 14.792 -1.235 0.668 1.00 0.00 H new ATOM 0 HA MET A 32 16.560 0.378 2.141 1.00 0.00 H new ATOM 0 HB2 MET A 32 14.115 -0.758 2.555 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.110 -1.840 3.508 1.00 0.00 H new ATOM 0 HG2 MET A 32 16.031 0.117 4.742 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.000 1.180 3.806 1.00 0.00 H new ATOM 0 HE1 MET A 32 11.475 0.388 4.812 1.00 0.00 H new ATOM 0 HE2 MET A 32 12.563 0.496 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.068 -1.096 4.030 1.00 0.00 H new ATOM 505 N GLU A 33 17.323 -2.799 1.975 1.00 0.00 N ATOM 506 CA GLU A 33 18.361 -3.768 2.279 1.00 0.00 C ATOM 507 C GLU A 33 19.629 -3.449 1.499 1.00 0.00 C ATOM 508 O GLU A 33 20.736 -3.605 2.013 1.00 0.00 O ATOM 509 CB GLU A 33 17.894 -5.187 1.962 1.00 0.00 C ATOM 510 CG GLU A 33 17.760 -6.070 3.191 1.00 0.00 C ATOM 511 CD GLU A 33 16.336 -6.515 3.447 1.00 0.00 C ATOM 512 OE1 GLU A 33 15.916 -7.534 2.858 1.00 0.00 O ATOM 513 OE2 GLU A 33 15.639 -5.870 4.259 1.00 0.00 O ATOM 0 H GLU A 33 16.587 -3.144 1.359 1.00 0.00 H new ATOM 0 HA GLU A 33 18.577 -3.708 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.932 -5.139 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 33 18.599 -5.647 1.269 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.393 -6.949 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.128 -5.529 4.063 1.00 0.00 H new ATOM 520 N ASP A 34 19.468 -2.988 0.261 1.00 0.00 N ATOM 521 CA ASP A 34 20.611 -2.576 -0.547 1.00 0.00 C ATOM 522 C ASP A 34 21.258 -1.357 0.081 1.00 0.00 C ATOM 523 O ASP A 34 22.479 -1.269 0.190 1.00 0.00 O ATOM 524 CB ASP A 34 20.179 -2.257 -1.982 1.00 0.00 C ATOM 525 CG ASP A 34 21.334 -1.808 -2.862 1.00 0.00 C ATOM 526 OD1 ASP A 34 22.394 -2.476 -2.854 1.00 0.00 O ATOM 527 OD2 ASP A 34 21.186 -0.791 -3.571 1.00 0.00 O ATOM 0 H ASP A 34 18.564 -2.891 -0.201 1.00 0.00 H new ATOM 0 HA ASP A 34 21.328 -3.396 -0.582 1.00 0.00 H new ATOM 0 HB2 ASP A 34 19.716 -3.141 -2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 19.419 -1.476 -1.962 1.00 0.00 H new ATOM 532 N LEU A 35 20.410 -0.441 0.533 1.00 0.00 N ATOM 533 CA LEU A 35 20.862 0.805 1.140 1.00 0.00 C ATOM 534 C LEU A 35 21.475 0.543 2.517 1.00 0.00 C ATOM 535 O LEU A 35 22.302 1.320 3.001 1.00 0.00 O ATOM 536 CB LEU A 35 19.684 1.785 1.258 1.00 0.00 C ATOM 537 CG LEU A 35 19.450 2.718 0.050 1.00 0.00 C ATOM 538 CD1 LEU A 35 19.807 2.037 -1.263 1.00 0.00 C ATOM 539 CD2 LEU A 35 18.001 3.182 0.013 1.00 0.00 C ATOM 0 H LEU A 35 19.396 -0.540 0.490 1.00 0.00 H new ATOM 0 HA LEU A 35 21.629 1.246 0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.774 1.209 1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.839 2.402 2.143 1.00 0.00 H new ATOM 0 HG LEU A 35 20.104 3.581 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 35 19.629 2.725 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 35 20.858 1.750 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 35 19.190 1.148 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.851 3.839 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.344 2.317 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.769 3.723 0.930 1.00 0.00 H new ATOM 551 N GLN A 36 21.061 -0.553 3.143 1.00 0.00 N ATOM 552 CA GLN A 36 21.588 -0.957 4.433 1.00 0.00 C ATOM 553 C GLN A 36 22.944 -1.637 4.279 1.00 0.00 C ATOM 554 O GLN A 36 23.859 -1.406 5.073 1.00 0.00 O ATOM 555 CB GLN A 36 20.613 -1.922 5.099 1.00 0.00 C ATOM 556 CG GLN A 36 20.592 -1.812 6.607 1.00 0.00 C ATOM 557 CD GLN A 36 19.378 -1.065 7.119 1.00 0.00 C ATOM 558 OE1 GLN A 36 19.464 -0.313 8.092 1.00 0.00 O ATOM 559 NE2 GLN A 36 18.238 -1.267 6.477 1.00 0.00 N ATOM 0 H GLN A 36 20.352 -1.183 2.768 1.00 0.00 H new ATOM 0 HA GLN A 36 21.714 -0.066 5.049 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.610 -1.736 4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.877 -2.942 4.821 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.609 -2.812 7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 36 21.496 -1.303 6.943 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.209 -1.898 5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.389 -0.792 6.784 1.00 0.00 H new ATOM 568 N ASP A 37 23.061 -2.472 3.258 1.00 0.00 N ATOM 569 CA ASP A 37 24.271 -3.251 3.031 1.00 0.00 C ATOM 570 C ASP A 37 25.411 -2.373 2.531 1.00 0.00 C ATOM 571 O ASP A 37 25.212 -1.211 2.163 1.00 0.00 O ATOM 572 CB ASP A 37 24.000 -4.371 2.022 1.00 0.00 C ATOM 573 CG ASP A 37 24.855 -5.604 2.262 1.00 0.00 C ATOM 574 OD1 ASP A 37 25.904 -5.498 2.939 1.00 0.00 O ATOM 575 OD2 ASP A 37 24.492 -6.687 1.757 1.00 0.00 O ATOM 0 H ASP A 37 22.327 -2.629 2.568 1.00 0.00 H new ATOM 0 HA ASP A 37 24.568 -3.687 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 37 22.947 -4.650 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 37 24.184 -3.998 1.015 1.00 0.00 H new ATOM 580 N MET A 38 26.607 -2.938 2.520 1.00 0.00 N ATOM 581 CA MET A 38 27.789 -2.241 2.046 1.00 0.00 C ATOM 582 C MET A 38 28.118 -2.702 0.638 1.00 0.00 C ATOM 583 O MET A 38 27.924 -3.869 0.296 1.00 0.00 O ATOM 584 CB MET A 38 28.984 -2.500 2.972 1.00 0.00 C ATOM 585 CG MET A 38 28.639 -2.451 4.452 1.00 0.00 C ATOM 586 SD MET A 38 28.667 -4.081 5.222 1.00 0.00 S ATOM 587 CE MET A 38 27.049 -4.116 5.995 1.00 0.00 C ATOM 0 H MET A 38 26.785 -3.890 2.839 1.00 0.00 H new ATOM 0 HA MET A 38 27.585 -1.170 2.043 1.00 0.00 H new ATOM 0 HB2 MET A 38 29.406 -3.478 2.740 1.00 0.00 H new ATOM 0 HB3 MET A 38 29.758 -1.761 2.765 1.00 0.00 H new ATOM 0 HG2 MET A 38 29.345 -1.798 4.965 1.00 0.00 H new ATOM 0 HG3 MET A 38 27.650 -2.011 4.577 1.00 0.00 H new ATOM 0 HE1 MET A 38 27.069 -4.790 6.852 1.00 0.00 H new ATOM 0 HE2 MET A 38 26.783 -3.113 6.329 1.00 0.00 H new ATOM 0 HE3 MET A 38 26.309 -4.467 5.275 1.00 0.00 H new ATOM 597 N PHE A 39 28.611 -1.791 -0.179 1.00 0.00 N ATOM 598 CA PHE A 39 28.919 -2.107 -1.561 1.00 0.00 C ATOM 599 C PHE A 39 30.422 -2.263 -1.756 1.00 0.00 C ATOM 600 O PHE A 39 31.187 -1.314 -1.587 1.00 0.00 O ATOM 601 CB PHE A 39 28.356 -1.032 -2.503 1.00 0.00 C ATOM 602 CG PHE A 39 28.717 0.382 -2.127 1.00 0.00 C ATOM 603 CD1 PHE A 39 28.037 1.046 -1.118 1.00 0.00 C ATOM 604 CD2 PHE A 39 29.734 1.044 -2.793 1.00 0.00 C ATOM 605 CE1 PHE A 39 28.372 2.341 -0.779 1.00 0.00 C ATOM 606 CE2 PHE A 39 30.071 2.339 -2.459 1.00 0.00 C ATOM 607 CZ PHE A 39 29.389 2.990 -1.450 1.00 0.00 C ATOM 0 H PHE A 39 28.807 -0.827 0.090 1.00 0.00 H new ATOM 0 HA PHE A 39 28.444 -3.057 -1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 39 28.715 -1.228 -3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.270 -1.122 -2.528 1.00 0.00 H new ATOM 0 HD1 PHE A 39 27.238 0.545 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 39 30.270 0.540 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 39 27.838 2.847 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 39 30.867 2.843 -2.986 1.00 0.00 H new ATOM 0 HZ PHE A 39 29.651 4.004 -1.187 1.00 0.00 H new ATOM 617 N ILE A 40 30.845 -3.474 -2.074 1.00 0.00 N ATOM 618 CA ILE A 40 32.234 -3.724 -2.386 1.00 0.00 C ATOM 619 C ILE A 40 32.450 -3.631 -3.883 1.00 0.00 C ATOM 620 O ILE A 40 31.750 -4.269 -4.669 1.00 0.00 O ATOM 621 CB ILE A 40 32.698 -5.093 -1.851 1.00 0.00 C ATOM 622 CG1 ILE A 40 33.133 -4.933 -0.399 1.00 0.00 C ATOM 623 CG2 ILE A 40 33.821 -5.685 -2.695 1.00 0.00 C ATOM 624 CD1 ILE A 40 34.499 -4.314 -0.235 1.00 0.00 C ATOM 0 H ILE A 40 30.244 -4.297 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 40 32.837 -2.962 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 40 31.864 -5.792 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 40 32.401 -4.318 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 40 33.128 -5.911 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 40 34.117 -6.649 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 40 33.474 -5.820 -3.719 1.00 0.00 H new ATOM 0 HG23 ILE A 40 34.676 -5.009 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 40 34.737 -4.233 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 40 35.243 -4.940 -0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 40 34.505 -3.321 -0.685 1.00 0.00 H new ATOM 636 N VAL A 41 33.410 -2.818 -4.269 1.00 0.00 N ATOM 637 CA VAL A 41 33.668 -2.569 -5.676 1.00 0.00 C ATOM 638 C VAL A 41 35.092 -2.962 -6.048 1.00 0.00 C ATOM 639 O VAL A 41 36.024 -2.802 -5.259 1.00 0.00 O ATOM 640 CB VAL A 41 33.415 -1.088 -6.052 1.00 0.00 C ATOM 641 CG1 VAL A 41 31.981 -0.694 -5.741 1.00 0.00 C ATOM 642 CG2 VAL A 41 34.390 -0.164 -5.337 1.00 0.00 C ATOM 0 H VAL A 41 34.027 -2.317 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 41 32.971 -3.187 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 41 33.578 -0.983 -7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 41 31.823 0.350 -6.012 1.00 0.00 H new ATOM 0 HG12 VAL A 41 31.299 -1.324 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL A 41 31.791 -0.825 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 41 34.188 0.869 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 41 34.271 -0.274 -4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 41 35.411 -0.424 -5.618 1.00 0.00 H new ATOM 652 N HIS A 42 35.251 -3.503 -7.244 1.00 0.00 N ATOM 653 CA HIS A 42 36.560 -3.901 -7.739 1.00 0.00 C ATOM 654 C HIS A 42 37.072 -2.865 -8.724 1.00 0.00 C ATOM 655 O HIS A 42 38.238 -2.468 -8.688 1.00 0.00 O ATOM 656 CB HIS A 42 36.491 -5.267 -8.431 1.00 0.00 C ATOM 657 CG HIS A 42 35.774 -6.324 -7.646 1.00 0.00 C ATOM 658 ND1 HIS A 42 34.403 -6.472 -7.662 1.00 0.00 N ATOM 659 CD2 HIS A 42 36.245 -7.294 -6.830 1.00 0.00 C ATOM 660 CE1 HIS A 42 34.065 -7.487 -6.888 1.00 0.00 C ATOM 661 NE2 HIS A 42 35.163 -8.004 -6.373 1.00 0.00 N ATOM 0 H HIS A 42 34.485 -3.678 -7.895 1.00 0.00 H new ATOM 0 HA HIS A 42 37.239 -3.973 -6.889 1.00 0.00 H new ATOM 0 HB2 HIS A 42 35.995 -5.148 -9.394 1.00 0.00 H new ATOM 0 HB3 HIS A 42 37.506 -5.609 -8.635 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.752 -5.889 -8.189 1.00 0.00 H new ATOM 0 HD2 HIS A 42 37.281 -7.476 -6.584 1.00 0.00 H new ATOM 0 HE1 HIS A 42 33.059 -7.835 -6.707 1.00 0.00 H new ATOM 670 N THR A 43 36.188 -2.430 -9.606 1.00 0.00 N ATOM 671 CA THR A 43 36.547 -1.482 -10.645 1.00 0.00 C ATOM 672 C THR A 43 35.605 -0.280 -10.631 1.00 0.00 C ATOM 673 O THR A 43 34.514 -0.345 -10.058 1.00 0.00 O ATOM 674 CB THR A 43 36.508 -2.158 -12.026 1.00 0.00 C ATOM 675 OG1 THR A 43 35.642 -3.304 -11.984 1.00 0.00 O ATOM 676 CG2 THR A 43 37.899 -2.590 -12.457 1.00 0.00 C ATOM 0 H THR A 43 35.211 -2.721 -9.622 1.00 0.00 H new ATOM 0 HA THR A 43 37.561 -1.134 -10.448 1.00 0.00 H new ATOM 0 HB THR A 43 36.128 -1.436 -12.749 1.00 0.00 H new ATOM 0 HG1 THR A 43 35.620 -3.730 -12.866 1.00 0.00 H new ATOM 0 HG21 THR A 43 37.845 -3.065 -13.436 1.00 0.00 H new ATOM 0 HG22 THR A 43 38.550 -1.718 -12.512 1.00 0.00 H new ATOM 0 HG23 THR A 43 38.301 -3.298 -11.732 1.00 0.00 H new ATOM 684 N ILE A 44 36.023 0.808 -11.268 1.00 0.00 N ATOM 685 CA ILE A 44 35.236 2.037 -11.276 1.00 0.00 C ATOM 686 C ILE A 44 33.948 1.854 -12.072 1.00 0.00 C ATOM 687 O ILE A 44 32.968 2.564 -11.853 1.00 0.00 O ATOM 688 CB ILE A 44 36.050 3.241 -11.822 1.00 0.00 C ATOM 689 CG1 ILE A 44 35.825 3.446 -13.325 1.00 0.00 C ATOM 690 CG2 ILE A 44 37.523 3.036 -11.542 1.00 0.00 C ATOM 691 CD1 ILE A 44 35.346 4.836 -13.684 1.00 0.00 C ATOM 0 H ILE A 44 36.901 0.865 -11.785 1.00 0.00 H new ATOM 0 HA ILE A 44 34.975 2.259 -10.241 1.00 0.00 H new ATOM 0 HB ILE A 44 35.701 4.138 -11.310 1.00 0.00 H new ATOM 0 HG12 ILE A 44 36.757 3.244 -13.854 1.00 0.00 H new ATOM 0 HG13 ILE A 44 35.095 2.717 -13.677 1.00 0.00 H new ATOM 0 HG21 ILE A 44 38.088 3.884 -11.928 1.00 0.00 H new ATOM 0 HG22 ILE A 44 37.681 2.954 -10.467 1.00 0.00 H new ATOM 0 HG23 ILE A 44 37.862 2.122 -12.030 1.00 0.00 H new ATOM 0 HD11 ILE A 44 35.209 4.906 -14.763 1.00 0.00 H new ATOM 0 HD12 ILE A 44 34.398 5.035 -13.184 1.00 0.00 H new ATOM 0 HD13 ILE A 44 36.086 5.570 -13.364 1.00 0.00 H new ATOM 703 N GLU A 45 33.961 0.895 -12.995 1.00 0.00 N ATOM 704 CA GLU A 45 32.769 0.527 -13.742 1.00 0.00 C ATOM 705 C GLU A 45 31.640 0.183 -12.774 1.00 0.00 C ATOM 706 O GLU A 45 30.499 0.620 -12.940 1.00 0.00 O ATOM 707 CB GLU A 45 33.041 -0.685 -14.642 1.00 0.00 C ATOM 708 CG GLU A 45 34.432 -1.284 -14.508 1.00 0.00 C ATOM 709 CD GLU A 45 35.492 -0.506 -15.252 1.00 0.00 C ATOM 710 OE1 GLU A 45 35.677 -0.750 -16.457 1.00 0.00 O ATOM 711 OE2 GLU A 45 36.150 0.350 -14.626 1.00 0.00 O ATOM 0 H GLU A 45 34.792 0.358 -13.242 1.00 0.00 H new ATOM 0 HA GLU A 45 32.483 1.374 -14.365 1.00 0.00 H new ATOM 0 HB2 GLU A 45 32.306 -1.458 -14.418 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.887 -0.390 -15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.700 -1.331 -13.452 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.416 -2.309 -14.879 1.00 0.00 H new ATOM 718 N GLU A 46 31.985 -0.586 -11.748 1.00 0.00 N ATOM 719 CA GLU A 46 31.022 -1.006 -10.743 1.00 0.00 C ATOM 720 C GLU A 46 30.683 0.147 -9.819 1.00 0.00 C ATOM 721 O GLU A 46 29.552 0.266 -9.364 1.00 0.00 O ATOM 722 CB GLU A 46 31.562 -2.182 -9.929 1.00 0.00 C ATOM 723 CG GLU A 46 32.213 -3.268 -10.769 1.00 0.00 C ATOM 724 CD GLU A 46 33.082 -4.202 -9.950 1.00 0.00 C ATOM 725 OE1 GLU A 46 33.133 -4.052 -8.713 1.00 0.00 O ATOM 726 OE2 GLU A 46 33.725 -5.090 -10.539 1.00 0.00 O ATOM 0 H GLU A 46 32.932 -0.932 -11.592 1.00 0.00 H new ATOM 0 HA GLU A 46 30.117 -1.326 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 46 32.290 -1.808 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU A 46 30.744 -2.621 -9.357 1.00 0.00 H new ATOM 0 HG2 GLU A 46 31.438 -3.847 -11.271 1.00 0.00 H new ATOM 0 HG3 GLU A 46 32.819 -2.805 -11.548 1.00 0.00 H new ATOM 733 N ILE A 47 31.662 0.997 -9.551 1.00 0.00 N ATOM 734 CA ILE A 47 31.439 2.155 -8.707 1.00 0.00 C ATOM 735 C ILE A 47 30.439 3.099 -9.370 1.00 0.00 C ATOM 736 O ILE A 47 29.571 3.656 -8.708 1.00 0.00 O ATOM 737 CB ILE A 47 32.773 2.888 -8.364 1.00 0.00 C ATOM 738 CG1 ILE A 47 32.951 2.977 -6.844 1.00 0.00 C ATOM 739 CG2 ILE A 47 32.847 4.281 -8.982 1.00 0.00 C ATOM 740 CD1 ILE A 47 31.718 3.472 -6.114 1.00 0.00 C ATOM 0 H ILE A 47 32.614 0.905 -9.905 1.00 0.00 H new ATOM 0 HA ILE A 47 31.019 1.811 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 47 33.583 2.300 -8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 47 33.219 1.993 -6.460 1.00 0.00 H new ATOM 0 HG13 ILE A 47 33.785 3.643 -6.623 1.00 0.00 H new ATOM 0 HG21 ILE A 47 33.794 4.748 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 47 32.776 4.202 -10.067 1.00 0.00 H new ATOM 0 HG23 ILE A 47 32.023 4.889 -8.608 1.00 0.00 H new ATOM 0 HD11 ILE A 47 31.919 3.509 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 47 31.461 4.470 -6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 47 30.886 2.794 -6.304 1.00 0.00 H new ATOM 752 N GLU A 48 30.532 3.224 -10.689 1.00 0.00 N ATOM 753 CA GLU A 48 29.628 4.084 -11.440 1.00 0.00 C ATOM 754 C GLU A 48 28.258 3.426 -11.529 1.00 0.00 C ATOM 755 O GLU A 48 27.225 4.098 -11.546 1.00 0.00 O ATOM 756 CB GLU A 48 30.208 4.378 -12.831 1.00 0.00 C ATOM 757 CG GLU A 48 29.339 3.935 -14.000 1.00 0.00 C ATOM 758 CD GLU A 48 28.706 5.104 -14.729 1.00 0.00 C ATOM 759 OE1 GLU A 48 29.381 6.136 -14.907 1.00 0.00 O ATOM 760 OE2 GLU A 48 27.526 4.999 -15.127 1.00 0.00 O ATOM 0 H GLU A 48 31.225 2.740 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 48 29.515 5.038 -10.925 1.00 0.00 H new ATOM 0 HB2 GLU A 48 30.384 5.450 -12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 48 31.178 3.889 -12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 48 29.944 3.359 -14.700 1.00 0.00 H new ATOM 0 HG3 GLU A 48 28.555 3.271 -13.635 1.00 0.00 H new ATOM 767 N GLY A 49 28.262 2.101 -11.546 1.00 0.00 N ATOM 768 CA GLY A 49 27.025 1.353 -11.550 1.00 0.00 C ATOM 769 C GLY A 49 26.340 1.454 -10.209 1.00 0.00 C ATOM 770 O GLY A 49 25.116 1.526 -10.120 1.00 0.00 O ATOM 0 H GLY A 49 29.106 1.529 -11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 49 26.366 1.733 -12.331 1.00 0.00 H new ATOM 0 HA3 GLY A 49 27.226 0.308 -11.784 1.00 0.00 H new ATOM 774 N LEU A 50 27.156 1.472 -9.166 1.00 0.00 N ATOM 775 CA LEU A 50 26.685 1.692 -7.811 1.00 0.00 C ATOM 776 C LEU A 50 25.994 3.046 -7.703 1.00 0.00 C ATOM 777 O LEU A 50 24.937 3.170 -7.085 1.00 0.00 O ATOM 778 CB LEU A 50 27.861 1.635 -6.841 1.00 0.00 C ATOM 779 CG LEU A 50 27.824 0.500 -5.824 1.00 0.00 C ATOM 780 CD1 LEU A 50 26.396 0.197 -5.393 1.00 0.00 C ATOM 781 CD2 LEU A 50 28.496 -0.745 -6.391 1.00 0.00 C ATOM 0 H LEU A 50 28.164 1.334 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 50 25.968 0.911 -7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.781 1.551 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.909 2.581 -6.301 1.00 0.00 H new ATOM 0 HG LEU A 50 28.377 0.817 -4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 50 26.400 -0.616 -4.668 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.956 1.085 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.808 -0.095 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 50 28.461 -1.546 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 50 27.974 -1.061 -7.294 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.535 -0.520 -6.633 1.00 0.00 H new ATOM 793 N ILE A 51 26.605 4.063 -8.300 1.00 0.00 N ATOM 794 CA ILE A 51 25.990 5.390 -8.352 1.00 0.00 C ATOM 795 C ILE A 51 24.672 5.319 -9.117 1.00 0.00 C ATOM 796 O ILE A 51 23.663 5.883 -8.699 1.00 0.00 O ATOM 797 CB ILE A 51 26.891 6.453 -9.026 1.00 0.00 C ATOM 798 CG1 ILE A 51 28.358 6.284 -8.625 1.00 0.00 C ATOM 799 CG2 ILE A 51 26.406 7.850 -8.674 1.00 0.00 C ATOM 800 CD1 ILE A 51 28.612 6.378 -7.138 1.00 0.00 C ATOM 0 H ILE A 51 27.517 3.999 -8.752 1.00 0.00 H new ATOM 0 HA ILE A 51 25.831 5.696 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 51 26.824 6.312 -10.105 1.00 0.00 H new ATOM 0 HG12 ILE A 51 28.711 5.316 -8.981 1.00 0.00 H new ATOM 0 HG13 ILE A 51 28.951 7.045 -9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 51 27.047 8.589 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 51 25.381 7.978 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 51 26.441 7.986 -7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 51 29.676 6.247 -6.942 1.00 0.00 H new ATOM 0 HD12 ILE A 51 28.294 7.355 -6.776 1.00 0.00 H new ATOM 0 HD13 ILE A 51 28.050 5.599 -6.623 1.00 0.00 H new ATOM 812 N SER A 52 24.686 4.597 -10.232 1.00 0.00 N ATOM 813 CA SER A 52 23.491 4.409 -11.041 1.00 0.00 C ATOM 814 C SER A 52 22.400 3.679 -10.256 1.00 0.00 C ATOM 815 O SER A 52 21.216 3.871 -10.512 1.00 0.00 O ATOM 816 CB SER A 52 23.837 3.639 -12.314 1.00 0.00 C ATOM 817 OG SER A 52 24.917 4.255 -12.996 1.00 0.00 O ATOM 0 H SER A 52 25.517 4.131 -10.596 1.00 0.00 H new ATOM 0 HA SER A 52 23.105 5.392 -11.313 1.00 0.00 H new ATOM 0 HB2 SER A 52 24.098 2.611 -12.063 1.00 0.00 H new ATOM 0 HB3 SER A 52 22.965 3.596 -12.967 1.00 0.00 H new ATOM 0 HG SER A 52 25.748 4.102 -12.499 1.00 0.00 H new ATOM 823 N ALA A 53 22.802 2.865 -9.286 1.00 0.00 N ATOM 824 CA ALA A 53 21.850 2.153 -8.441 1.00 0.00 C ATOM 825 C ALA A 53 21.187 3.100 -7.442 1.00 0.00 C ATOM 826 O ALA A 53 20.298 2.704 -6.686 1.00 0.00 O ATOM 827 CB ALA A 53 22.534 1.002 -7.717 1.00 0.00 C ATOM 0 H ALA A 53 23.781 2.682 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 53 21.070 1.743 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.808 0.483 -7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 53 22.947 0.306 -8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 53 23.338 1.391 -7.093 1.00 0.00 H new ATOM 833 N HIS A 54 21.639 4.345 -7.424 1.00 0.00 N ATOM 834 CA HIS A 54 20.970 5.385 -6.658 1.00 0.00 C ATOM 835 C HIS A 54 20.339 6.397 -7.605 1.00 0.00 C ATOM 836 O HIS A 54 19.301 6.981 -7.308 1.00 0.00 O ATOM 837 CB HIS A 54 21.939 6.081 -5.703 1.00 0.00 C ATOM 838 CG HIS A 54 21.476 6.066 -4.277 1.00 0.00 C ATOM 839 ND1 HIS A 54 20.768 5.017 -3.723 1.00 0.00 N ATOM 840 CD2 HIS A 54 21.628 6.973 -3.285 1.00 0.00 C ATOM 841 CE1 HIS A 54 20.508 5.287 -2.457 1.00 0.00 C ATOM 842 NE2 HIS A 54 21.024 6.465 -2.168 1.00 0.00 N ATOM 0 H HIS A 54 22.466 4.659 -7.931 1.00 0.00 H new ATOM 0 HA HIS A 54 20.189 4.920 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.913 5.596 -5.767 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.075 7.114 -6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.134 7.924 -3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 54 19.965 4.651 -1.774 1.00 0.00 H new ATOM 0 HE2 HIS A 54 20.980 6.924 -1.258 1.00 0.00 H new ATOM 851 N ASP A 55 20.978 6.584 -8.756 1.00 0.00 N ATOM 852 CA ASP A 55 20.461 7.460 -9.805 1.00 0.00 C ATOM 853 C ASP A 55 19.156 6.911 -10.375 1.00 0.00 C ATOM 854 O ASP A 55 18.154 7.620 -10.446 1.00 0.00 O ATOM 855 CB ASP A 55 21.502 7.614 -10.920 1.00 0.00 C ATOM 856 CG ASP A 55 21.111 8.631 -11.981 1.00 0.00 C ATOM 857 OD1 ASP A 55 20.203 9.450 -11.739 1.00 0.00 O ATOM 858 OD2 ASP A 55 21.729 8.619 -13.066 1.00 0.00 O ATOM 0 H ASP A 55 21.864 6.136 -8.988 1.00 0.00 H new ATOM 0 HA ASP A 55 20.259 8.438 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 55 22.454 7.909 -10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 55 21.658 6.646 -11.396 1.00 0.00 H new ATOM 863 N GLN A 56 19.161 5.633 -10.748 1.00 0.00 N ATOM 864 CA GLN A 56 17.967 4.988 -11.286 1.00 0.00 C ATOM 865 C GLN A 56 16.989 4.672 -10.166 1.00 0.00 C ATOM 866 O GLN A 56 15.810 4.401 -10.404 1.00 0.00 O ATOM 867 CB GLN A 56 18.344 3.712 -12.041 1.00 0.00 C ATOM 868 CG GLN A 56 19.310 3.952 -13.192 1.00 0.00 C ATOM 869 CD GLN A 56 18.610 4.064 -14.531 1.00 0.00 C ATOM 870 OE1 GLN A 56 17.705 3.291 -14.837 1.00 0.00 O ATOM 871 NE2 GLN A 56 19.023 5.027 -15.338 1.00 0.00 N ATOM 0 H GLN A 56 19.978 5.025 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 56 17.486 5.673 -11.984 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.792 3.005 -11.343 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.437 3.247 -12.429 1.00 0.00 H new ATOM 0 HG2 GLN A 56 19.873 4.866 -13.004 1.00 0.00 H new ATOM 0 HG3 GLN A 56 20.031 3.136 -13.231 1.00 0.00 H new ATOM 0 HE21 GLN A 56 19.778 5.648 -15.046 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.587 5.149 -16.252 1.00 0.00 H new ATOM 880 N PHE A 57 17.493 4.724 -8.944 1.00 0.00 N ATOM 881 CA PHE A 57 16.660 4.582 -7.763 1.00 0.00 C ATOM 882 C PHE A 57 15.847 5.860 -7.577 1.00 0.00 C ATOM 883 O PHE A 57 14.709 5.833 -7.108 1.00 0.00 O ATOM 884 CB PHE A 57 17.554 4.297 -6.548 1.00 0.00 C ATOM 885 CG PHE A 57 16.867 4.406 -5.219 1.00 0.00 C ATOM 886 CD1 PHE A 57 16.214 3.319 -4.668 1.00 0.00 C ATOM 887 CD2 PHE A 57 16.879 5.601 -4.521 1.00 0.00 C ATOM 888 CE1 PHE A 57 15.586 3.420 -3.447 1.00 0.00 C ATOM 889 CE2 PHE A 57 16.253 5.709 -3.300 1.00 0.00 C ATOM 890 CZ PHE A 57 15.607 4.619 -2.760 1.00 0.00 C ATOM 0 H PHE A 57 18.483 4.865 -8.744 1.00 0.00 H new ATOM 0 HA PHE A 57 15.967 3.748 -7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.966 3.293 -6.646 1.00 0.00 H new ATOM 0 HB3 PHE A 57 18.395 4.990 -6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 57 16.196 2.380 -5.201 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.385 6.458 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.078 2.564 -3.027 1.00 0.00 H new ATOM 0 HE2 PHE A 57 16.268 6.648 -2.766 1.00 0.00 H new ATOM 0 HZ PHE A 57 15.117 4.701 -1.801 1.00 0.00 H new ATOM 900 N LYS A 58 16.442 6.976 -7.982 1.00 0.00 N ATOM 901 CA LYS A 58 15.770 8.262 -7.957 1.00 0.00 C ATOM 902 C LYS A 58 14.736 8.343 -9.071 1.00 0.00 C ATOM 903 O LYS A 58 13.857 9.200 -9.053 1.00 0.00 O ATOM 904 CB LYS A 58 16.787 9.400 -8.101 1.00 0.00 C ATOM 905 CG LYS A 58 17.398 9.846 -6.779 1.00 0.00 C ATOM 906 CD LYS A 58 16.414 9.691 -5.630 1.00 0.00 C ATOM 907 CE LYS A 58 15.235 10.642 -5.774 1.00 0.00 C ATOM 908 NZ LYS A 58 15.417 11.893 -4.989 1.00 0.00 N ATOM 0 H LYS A 58 17.399 7.011 -8.334 1.00 0.00 H new ATOM 0 HA LYS A 58 15.262 8.365 -6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 58 17.585 9.079 -8.770 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.300 10.254 -8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 58 18.293 9.259 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.710 10.888 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.052 8.663 -5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.923 9.881 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.100 10.893 -6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.325 10.140 -5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.589 12.508 -5.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.519 11.659 -3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.271 12.388 -5.318 1.00 0.00 H new ATOM 922 N SER A 59 14.841 7.438 -10.033 1.00 0.00 N ATOM 923 CA SER A 59 13.907 7.401 -11.152 1.00 0.00 C ATOM 924 C SER A 59 12.704 6.525 -10.818 1.00 0.00 C ATOM 925 O SER A 59 11.618 6.697 -11.376 1.00 0.00 O ATOM 926 CB SER A 59 14.604 6.886 -12.413 1.00 0.00 C ATOM 927 OG SER A 59 16.011 7.008 -12.302 1.00 0.00 O ATOM 0 H SER A 59 15.563 6.719 -10.062 1.00 0.00 H new ATOM 0 HA SER A 59 13.555 8.416 -11.338 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.338 5.842 -12.579 1.00 0.00 H new ATOM 0 HB3 SER A 59 14.254 7.446 -13.280 1.00 0.00 H new ATOM 0 HG SER A 59 16.413 6.982 -13.195 1.00 0.00 H new ATOM 933 N THR A 60 12.898 5.581 -9.907 1.00 0.00 N ATOM 934 CA THR A 60 11.806 4.728 -9.456 1.00 0.00 C ATOM 935 C THR A 60 10.957 5.439 -8.403 1.00 0.00 C ATOM 936 O THR A 60 9.745 5.232 -8.323 1.00 0.00 O ATOM 937 CB THR A 60 12.332 3.406 -8.871 1.00 0.00 C ATOM 938 OG1 THR A 60 13.762 3.428 -8.824 1.00 0.00 O ATOM 939 CG2 THR A 60 11.865 2.219 -9.702 1.00 0.00 C ATOM 0 H THR A 60 13.797 5.387 -9.467 1.00 0.00 H new ATOM 0 HA THR A 60 11.191 4.508 -10.329 1.00 0.00 H new ATOM 0 HB THR A 60 11.936 3.299 -7.861 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.090 2.584 -8.449 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.250 1.297 -9.267 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.775 2.188 -9.712 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.234 2.321 -10.722 1.00 0.00 H new ATOM 947 N LEU A 61 11.605 6.292 -7.613 1.00 0.00 N ATOM 948 CA LEU A 61 10.959 6.985 -6.496 1.00 0.00 C ATOM 949 C LEU A 61 9.677 7.734 -6.905 1.00 0.00 C ATOM 950 O LEU A 61 8.643 7.543 -6.272 1.00 0.00 O ATOM 951 CB LEU A 61 11.946 7.951 -5.827 1.00 0.00 C ATOM 952 CG LEU A 61 12.965 7.302 -4.884 1.00 0.00 C ATOM 953 CD1 LEU A 61 13.419 8.291 -3.828 1.00 0.00 C ATOM 954 CD2 LEU A 61 12.392 6.061 -4.221 1.00 0.00 C ATOM 0 H LEU A 61 12.592 6.524 -7.727 1.00 0.00 H new ATOM 0 HA LEU A 61 10.657 6.215 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 61 12.488 8.487 -6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.378 8.693 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 61 13.825 7.002 -5.483 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.142 7.812 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 61 13.882 9.151 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.559 8.621 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.139 5.624 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.509 6.332 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.116 5.335 -4.985 1.00 0.00 H new ATOM 966 N PRO A 62 9.705 8.592 -7.956 1.00 0.00 N ATOM 967 CA PRO A 62 8.523 9.364 -8.380 1.00 0.00 C ATOM 968 C PRO A 62 7.281 8.500 -8.610 1.00 0.00 C ATOM 969 O PRO A 62 6.163 8.912 -8.295 1.00 0.00 O ATOM 970 CB PRO A 62 8.960 10.026 -9.697 1.00 0.00 C ATOM 971 CG PRO A 62 10.234 9.352 -10.082 1.00 0.00 C ATOM 972 CD PRO A 62 10.866 8.906 -8.798 1.00 0.00 C ATOM 0 HA PRO A 62 8.227 10.072 -7.606 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.201 9.900 -10.469 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.108 11.098 -9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.044 8.504 -10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.889 10.034 -10.624 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.507 8.037 -8.943 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.485 9.688 -8.358 1.00 0.00 H new ATOM 980 N ASP A 63 7.471 7.299 -9.146 1.00 0.00 N ATOM 981 CA ASP A 63 6.342 6.413 -9.419 1.00 0.00 C ATOM 982 C ASP A 63 6.034 5.550 -8.207 1.00 0.00 C ATOM 983 O ASP A 63 4.878 5.240 -7.931 1.00 0.00 O ATOM 984 CB ASP A 63 6.606 5.527 -10.638 1.00 0.00 C ATOM 985 CG ASP A 63 5.344 4.831 -11.116 1.00 0.00 C ATOM 986 OD1 ASP A 63 4.297 5.504 -11.242 1.00 0.00 O ATOM 987 OD2 ASP A 63 5.395 3.611 -11.375 1.00 0.00 O ATOM 0 H ASP A 63 8.383 6.919 -9.398 1.00 0.00 H new ATOM 0 HA ASP A 63 5.479 7.041 -9.637 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.014 6.134 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.360 4.780 -10.388 1.00 0.00 H new ATOM 992 N ALA A 64 7.073 5.174 -7.476 1.00 0.00 N ATOM 993 CA ALA A 64 6.908 4.370 -6.275 1.00 0.00 C ATOM 994 C ALA A 64 6.169 5.160 -5.194 1.00 0.00 C ATOM 995 O ALA A 64 5.333 4.614 -4.477 1.00 0.00 O ATOM 996 CB ALA A 64 8.260 3.889 -5.770 1.00 0.00 C ATOM 0 H ALA A 64 8.040 5.413 -7.694 1.00 0.00 H new ATOM 0 HA ALA A 64 6.306 3.496 -6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.120 3.289 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.741 3.284 -6.539 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.889 4.749 -5.538 1.00 0.00 H new ATOM 1002 N ASP A 65 6.475 6.450 -5.087 1.00 0.00 N ATOM 1003 CA ASP A 65 5.769 7.323 -4.149 1.00 0.00 C ATOM 1004 C ASP A 65 4.300 7.407 -4.544 1.00 0.00 C ATOM 1005 O ASP A 65 3.405 7.394 -3.697 1.00 0.00 O ATOM 1006 CB ASP A 65 6.387 8.726 -4.125 1.00 0.00 C ATOM 1007 CG ASP A 65 5.550 9.709 -3.325 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.593 9.657 -2.077 1.00 0.00 O ATOM 1009 OD2 ASP A 65 4.847 10.541 -3.938 1.00 0.00 O ATOM 0 H ASP A 65 7.201 6.913 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 65 5.858 6.901 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.388 8.673 -3.698 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.495 9.091 -5.146 1.00 0.00 H new ATOM 1014 N ARG A 66 4.069 7.461 -5.852 1.00 0.00 N ATOM 1015 CA ARG A 66 2.730 7.479 -6.407 1.00 0.00 C ATOM 1016 C ARG A 66 1.995 6.188 -6.059 1.00 0.00 C ATOM 1017 O ARG A 66 0.798 6.207 -5.773 1.00 0.00 O ATOM 1018 CB ARG A 66 2.808 7.641 -7.921 1.00 0.00 C ATOM 1019 CG ARG A 66 2.709 9.080 -8.389 1.00 0.00 C ATOM 1020 CD ARG A 66 2.809 9.174 -9.902 1.00 0.00 C ATOM 1021 NE ARG A 66 1.495 9.115 -10.535 1.00 0.00 N ATOM 1022 CZ ARG A 66 1.081 8.115 -11.316 1.00 0.00 C ATOM 1023 NH1 ARG A 66 1.885 7.086 -11.572 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -0.135 8.144 -11.843 1.00 0.00 N ATOM 0 H ARG A 66 4.809 7.493 -6.553 1.00 0.00 H new ATOM 0 HA ARG A 66 2.180 8.318 -5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.748 7.218 -8.274 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.006 7.063 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.763 9.509 -8.057 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.504 9.669 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.304 10.106 -10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.430 8.361 -10.277 1.00 0.00 H new ATOM 0 HE ARG A 66 0.851 9.889 -10.370 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.822 7.059 -11.171 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.564 6.324 -12.169 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.755 8.931 -11.652 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.451 7.379 -12.440 1.00 0.00 H new ATOM 1038 N GLU A 67 2.721 5.076 -6.095 1.00 0.00 N ATOM 1039 CA GLU A 67 2.184 3.776 -5.705 1.00 0.00 C ATOM 1040 C GLU A 67 1.726 3.801 -4.254 1.00 0.00 C ATOM 1041 O GLU A 67 0.635 3.343 -3.936 1.00 0.00 O ATOM 1042 CB GLU A 67 3.241 2.682 -5.882 1.00 0.00 C ATOM 1043 CG GLU A 67 3.483 2.290 -7.328 1.00 0.00 C ATOM 1044 CD GLU A 67 2.292 1.597 -7.952 1.00 0.00 C ATOM 1045 OE1 GLU A 67 1.654 0.765 -7.275 1.00 0.00 O ATOM 1046 OE2 GLU A 67 1.990 1.881 -9.134 1.00 0.00 O ATOM 0 H GLU A 67 3.696 5.049 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 67 1.331 3.559 -6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.180 3.024 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.933 1.799 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.723 3.182 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.350 1.632 -7.382 1.00 0.00 H new ATOM 1053 N ARG A 68 2.565 4.350 -3.380 1.00 0.00 N ATOM 1054 CA ARG A 68 2.246 4.444 -1.964 1.00 0.00 C ATOM 1055 C ARG A 68 0.962 5.253 -1.759 1.00 0.00 C ATOM 1056 O ARG A 68 0.137 4.924 -0.905 1.00 0.00 O ATOM 1057 CB ARG A 68 3.438 5.064 -1.221 1.00 0.00 C ATOM 1058 CG ARG A 68 3.079 6.022 -0.101 1.00 0.00 C ATOM 1059 CD ARG A 68 4.299 6.811 0.335 1.00 0.00 C ATOM 1060 NE ARG A 68 4.285 8.178 -0.185 1.00 0.00 N ATOM 1061 CZ ARG A 68 3.514 9.156 0.286 1.00 0.00 C ATOM 1062 NH1 ARG A 68 2.766 8.971 1.370 1.00 0.00 N ATOM 1063 NH2 ARG A 68 3.520 10.335 -0.318 1.00 0.00 N ATOM 0 H ARG A 68 3.474 4.737 -3.632 1.00 0.00 H new ATOM 0 HA ARG A 68 2.066 3.449 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.045 4.259 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.060 5.593 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.298 6.705 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.676 5.466 0.746 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.342 6.838 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.200 6.303 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 68 4.909 8.397 -0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.779 8.072 1.851 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.180 9.729 1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.111 10.486 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.933 11.091 0.034 1.00 0.00 H new ATOM 1077 N GLU A 69 0.787 6.288 -2.572 1.00 0.00 N ATOM 1078 CA GLU A 69 -0.423 7.098 -2.531 1.00 0.00 C ATOM 1079 C GLU A 69 -1.612 6.314 -3.087 1.00 0.00 C ATOM 1080 O GLU A 69 -2.707 6.353 -2.536 1.00 0.00 O ATOM 1081 CB GLU A 69 -0.224 8.390 -3.329 1.00 0.00 C ATOM 1082 CG GLU A 69 0.832 9.309 -2.741 1.00 0.00 C ATOM 1083 CD GLU A 69 0.306 10.698 -2.447 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -0.892 10.956 -2.694 1.00 0.00 O ATOM 1085 OE2 GLU A 69 1.088 11.543 -1.966 1.00 0.00 O ATOM 0 H GLU A 69 1.470 6.586 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.631 7.354 -1.492 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.055 8.137 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.172 8.925 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.217 8.870 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.670 9.382 -3.435 1.00 0.00 H new ATOM 1092 N ALA A 70 -1.369 5.575 -4.166 1.00 0.00 N ATOM 1093 CA ALA A 70 -2.413 4.794 -4.829 1.00 0.00 C ATOM 1094 C ALA A 70 -2.800 3.571 -4.008 1.00 0.00 C ATOM 1095 O ALA A 70 -3.844 2.955 -4.239 1.00 0.00 O ATOM 1096 CB ALA A 70 -1.950 4.372 -6.218 1.00 0.00 C ATOM 0 H ALA A 70 -0.451 5.500 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.296 5.426 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.735 3.791 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.734 5.258 -6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.049 3.764 -6.132 1.00 0.00 H new ATOM 1102 N ILE A 71 -1.966 3.235 -3.043 1.00 0.00 N ATOM 1103 CA ILE A 71 -2.201 2.089 -2.183 1.00 0.00 C ATOM 1104 C ILE A 71 -3.022 2.541 -0.988 1.00 0.00 C ATOM 1105 O ILE A 71 -3.946 1.855 -0.545 1.00 0.00 O ATOM 1106 CB ILE A 71 -0.862 1.437 -1.740 1.00 0.00 C ATOM 1107 CG1 ILE A 71 -0.607 0.172 -2.558 1.00 0.00 C ATOM 1108 CG2 ILE A 71 -0.847 1.109 -0.253 1.00 0.00 C ATOM 1109 CD1 ILE A 71 0.730 0.174 -3.267 1.00 0.00 C ATOM 0 H ILE A 71 -1.109 3.746 -2.833 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.753 1.326 -2.731 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.067 2.161 -1.921 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.659 -0.695 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.401 0.059 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.109 0.655 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.985 2.024 0.323 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.654 0.412 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.845 -0.753 -3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.778 1.021 -3.951 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.531 0.255 -2.532 1.00 0.00 H new ATOM 1121 N LEU A 72 -2.702 3.734 -0.503 1.00 0.00 N ATOM 1122 CA LEU A 72 -3.470 4.357 0.554 1.00 0.00 C ATOM 1123 C LEU A 72 -4.826 4.768 0.009 1.00 0.00 C ATOM 1124 O LEU A 72 -5.810 4.819 0.738 1.00 0.00 O ATOM 1125 CB LEU A 72 -2.736 5.578 1.103 1.00 0.00 C ATOM 1126 CG LEU A 72 -1.844 5.302 2.307 1.00 0.00 C ATOM 1127 CD1 LEU A 72 -0.676 6.272 2.319 1.00 0.00 C ATOM 1128 CD2 LEU A 72 -2.651 5.407 3.591 1.00 0.00 C ATOM 0 H LEU A 72 -1.910 4.288 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.602 3.643 1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.126 6.005 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.472 6.332 1.380 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.449 4.289 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.043 6.068 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.094 6.151 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.052 7.293 2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.004 5.208 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.068 6.410 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -3.461 4.678 3.572 1.00 0.00 H new ATOM 1140 N ALA A 73 -4.854 5.045 -1.287 1.00 0.00 N ATOM 1141 CA ALA A 73 -6.095 5.391 -1.979 1.00 0.00 C ATOM 1142 C ALA A 73 -7.114 4.253 -1.892 1.00 0.00 C ATOM 1143 O ALA A 73 -8.303 4.490 -1.686 1.00 0.00 O ATOM 1144 CB ALA A 73 -5.811 5.740 -3.432 1.00 0.00 C ATOM 0 H ALA A 73 -4.029 5.038 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.524 6.263 -1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.744 5.995 -3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -5.131 6.591 -3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.354 4.884 -3.929 1.00 0.00 H new ATOM 1150 N ILE A 74 -6.638 3.020 -2.036 1.00 0.00 N ATOM 1151 CA ILE A 74 -7.496 1.844 -1.898 1.00 0.00 C ATOM 1152 C ILE A 74 -8.000 1.736 -0.460 1.00 0.00 C ATOM 1153 O ILE A 74 -9.147 1.374 -0.200 1.00 0.00 O ATOM 1154 CB ILE A 74 -6.739 0.549 -2.275 1.00 0.00 C ATOM 1155 CG1 ILE A 74 -6.262 0.608 -3.726 1.00 0.00 C ATOM 1156 CG2 ILE A 74 -7.618 -0.676 -2.058 1.00 0.00 C ATOM 1157 CD1 ILE A 74 -5.063 -0.276 -4.003 1.00 0.00 C ATOM 0 H ILE A 74 -5.663 2.807 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.339 1.961 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.868 0.466 -1.625 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.081 0.313 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.009 1.638 -3.976 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.064 -1.574 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.910 -0.733 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -8.510 -0.598 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.778 -0.185 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.229 0.033 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.318 -1.313 -3.785 1.00 0.00 H new ATOM 1169 N HIS A 75 -7.131 2.090 0.467 1.00 0.00 N ATOM 1170 CA HIS A 75 -7.433 2.007 1.887 1.00 0.00 C ATOM 1171 C HIS A 75 -8.314 3.166 2.326 1.00 0.00 C ATOM 1172 O HIS A 75 -8.937 3.106 3.381 1.00 0.00 O ATOM 1173 CB HIS A 75 -6.108 1.957 2.675 1.00 0.00 C ATOM 1174 CG HIS A 75 -6.079 2.678 3.995 1.00 0.00 C ATOM 1175 ND1 HIS A 75 -6.049 2.021 5.206 1.00 0.00 N ATOM 1176 CD2 HIS A 75 -6.047 4.001 4.291 1.00 0.00 C ATOM 1177 CE1 HIS A 75 -6.000 2.908 6.182 1.00 0.00 C ATOM 1178 NE2 HIS A 75 -5.999 4.115 5.654 1.00 0.00 N ATOM 0 H HIS A 75 -6.197 2.443 0.260 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.997 1.097 2.092 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.857 0.911 2.853 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.321 2.371 2.044 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.057 4.815 3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.966 2.682 7.238 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -5.968 4.991 6.176 1.00 0.00 H new ATOM 1187 N LYS A 76 -8.380 4.193 1.506 1.00 0.00 N ATOM 1188 CA LYS A 76 -9.112 5.396 1.847 1.00 0.00 C ATOM 1189 C LYS A 76 -10.590 5.090 2.045 1.00 0.00 C ATOM 1190 O LYS A 76 -11.198 5.552 3.003 1.00 0.00 O ATOM 1191 CB LYS A 76 -8.894 6.445 0.753 1.00 0.00 C ATOM 1192 CG LYS A 76 -9.990 7.488 0.641 1.00 0.00 C ATOM 1193 CD LYS A 76 -9.811 8.305 -0.621 1.00 0.00 C ATOM 1194 CE LYS A 76 -9.412 9.738 -0.307 1.00 0.00 C ATOM 1195 NZ LYS A 76 -7.938 9.929 -0.359 1.00 0.00 N ATOM 0 H LYS A 76 -7.932 4.219 0.590 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.740 5.795 2.791 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.947 6.952 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.799 5.935 -0.206 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.965 7.001 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.969 8.143 1.512 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.049 7.844 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.739 8.302 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.890 10.412 -1.018 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.778 10.008 0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.708 10.919 -0.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.482 9.305 0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.591 9.697 -1.312 1.00 0.00 H new ATOM 1209 N GLU A 77 -11.152 4.273 1.168 1.00 0.00 N ATOM 1210 CA GLU A 77 -12.555 3.903 1.285 1.00 0.00 C ATOM 1211 C GLU A 77 -12.696 2.690 2.193 1.00 0.00 C ATOM 1212 O GLU A 77 -13.720 2.500 2.850 1.00 0.00 O ATOM 1213 CB GLU A 77 -13.158 3.613 -0.089 1.00 0.00 C ATOM 1214 CG GLU A 77 -13.276 4.845 -0.972 1.00 0.00 C ATOM 1215 CD GLU A 77 -14.383 5.787 -0.532 1.00 0.00 C ATOM 1216 OE1 GLU A 77 -14.244 6.424 0.530 1.00 0.00 O ATOM 1217 OE2 GLU A 77 -15.389 5.912 -1.264 1.00 0.00 O ATOM 0 H GLU A 77 -10.665 3.857 0.375 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.099 4.740 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.544 2.869 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.147 3.174 0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.327 5.381 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.460 4.532 -2.000 1.00 0.00 H new ATOM 1224 N ALA A 78 -11.638 1.890 2.245 1.00 0.00 N ATOM 1225 CA ALA A 78 -11.627 0.676 3.050 1.00 0.00 C ATOM 1226 C ALA A 78 -11.380 0.989 4.523 1.00 0.00 C ATOM 1227 O ALA A 78 -11.431 0.103 5.376 1.00 0.00 O ATOM 1228 CB ALA A 78 -10.576 -0.295 2.532 1.00 0.00 C ATOM 0 H ALA A 78 -10.771 2.062 1.735 1.00 0.00 H new ATOM 0 HA ALA A 78 -12.609 0.211 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -10.581 -1.197 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.801 -0.557 1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.593 0.172 2.582 1.00 0.00 H new ATOM 1234 N GLN A 79 -11.070 2.244 4.813 1.00 0.00 N ATOM 1235 CA GLN A 79 -10.927 2.687 6.191 1.00 0.00 C ATOM 1236 C GLN A 79 -11.989 3.718 6.548 1.00 0.00 C ATOM 1237 O GLN A 79 -12.420 3.792 7.694 1.00 0.00 O ATOM 1238 CB GLN A 79 -9.531 3.267 6.429 1.00 0.00 C ATOM 1239 CG GLN A 79 -9.225 3.554 7.895 1.00 0.00 C ATOM 1240 CD GLN A 79 -8.924 2.302 8.707 1.00 0.00 C ATOM 1241 OE1 GLN A 79 -8.626 2.384 9.898 1.00 0.00 O ATOM 1242 NE2 GLN A 79 -9.000 1.138 8.080 1.00 0.00 N ATOM 0 H GLN A 79 -10.913 2.971 4.115 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.062 1.818 6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.788 2.570 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.429 4.190 5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.372 4.230 7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.074 4.072 8.341 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.250 1.106 7.092 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.809 0.273 8.585 1.00 0.00 H new ATOM 1251 N ARG A 80 -12.428 4.493 5.560 1.00 0.00 N ATOM 1252 CA ARG A 80 -13.390 5.566 5.797 1.00 0.00 C ATOM 1253 C ARG A 80 -14.699 5.008 6.354 1.00 0.00 C ATOM 1254 O ARG A 80 -15.410 5.692 7.093 1.00 0.00 O ATOM 1255 CB ARG A 80 -13.625 6.369 4.507 1.00 0.00 C ATOM 1256 CG ARG A 80 -15.068 6.425 4.037 1.00 0.00 C ATOM 1257 CD ARG A 80 -15.620 7.838 4.114 1.00 0.00 C ATOM 1258 NE ARG A 80 -16.654 7.967 5.142 1.00 0.00 N ATOM 1259 CZ ARG A 80 -17.589 8.915 5.141 1.00 0.00 C ATOM 1260 NH1 ARG A 80 -17.605 9.839 4.187 1.00 0.00 N ATOM 1261 NH2 ARG A 80 -18.498 8.943 6.107 1.00 0.00 N ATOM 0 H ARG A 80 -12.133 4.398 4.588 1.00 0.00 H new ATOM 0 HA ARG A 80 -12.978 6.244 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.270 7.388 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.017 5.937 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -15.133 6.063 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -15.678 5.760 4.649 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -14.808 8.533 4.327 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -16.034 8.119 3.146 1.00 0.00 H new ATOM 0 HE ARG A 80 -16.659 7.290 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -16.899 9.824 3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -18.323 10.563 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -18.479 8.240 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.216 9.667 6.111 1.00 0.00 H new ATOM 1275 N ILE A 81 -15.004 3.764 6.010 1.00 0.00 N ATOM 1276 CA ILE A 81 -16.187 3.099 6.535 1.00 0.00 C ATOM 1277 C ILE A 81 -16.064 2.912 8.049 1.00 0.00 C ATOM 1278 O ILE A 81 -17.010 3.155 8.795 1.00 0.00 O ATOM 1279 CB ILE A 81 -16.419 1.731 5.850 1.00 0.00 C ATOM 1280 CG1 ILE A 81 -15.146 0.888 5.869 1.00 0.00 C ATOM 1281 CG2 ILE A 81 -16.894 1.927 4.420 1.00 0.00 C ATOM 1282 CD1 ILE A 81 -15.228 -0.298 6.798 1.00 0.00 C ATOM 0 H ILE A 81 -14.449 3.196 5.370 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.047 3.734 6.320 1.00 0.00 H new ATOM 0 HB ILE A 81 -17.190 1.201 6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -14.937 0.535 4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -14.307 1.517 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.052 0.955 3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -17.830 2.486 4.421 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.141 2.481 3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -14.291 -0.853 6.763 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -15.406 0.049 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -16.046 -0.948 6.487 1.00 0.00 H new ATOM 1294 N ALA A 82 -14.875 2.523 8.496 1.00 0.00 N ATOM 1295 CA ALA A 82 -14.617 2.310 9.913 1.00 0.00 C ATOM 1296 C ALA A 82 -14.392 3.641 10.618 1.00 0.00 C ATOM 1297 O ALA A 82 -14.538 3.755 11.832 1.00 0.00 O ATOM 1298 CB ALA A 82 -13.417 1.397 10.102 1.00 0.00 C ATOM 0 H ALA A 82 -14.071 2.348 7.893 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.489 1.829 10.356 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.237 1.248 11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.614 0.435 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -12.538 1.852 9.646 1.00 0.00 H new ATOM 1304 N GLU A 83 -14.029 4.648 9.835 1.00 0.00 N ATOM 1305 CA GLU A 83 -13.846 5.993 10.351 1.00 0.00 C ATOM 1306 C GLU A 83 -15.195 6.673 10.569 1.00 0.00 C ATOM 1307 O GLU A 83 -15.280 7.714 11.220 1.00 0.00 O ATOM 1308 CB GLU A 83 -12.989 6.818 9.390 1.00 0.00 C ATOM 1309 CG GLU A 83 -11.520 6.418 9.383 1.00 0.00 C ATOM 1310 CD GLU A 83 -10.646 7.447 8.700 1.00 0.00 C ATOM 1311 OE1 GLU A 83 -10.936 7.804 7.539 1.00 0.00 O ATOM 1312 OE2 GLU A 83 -9.666 7.912 9.322 1.00 0.00 O ATOM 0 H GLU A 83 -13.855 4.555 8.834 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.333 5.926 11.311 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.389 6.716 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.068 7.871 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.179 6.279 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.410 5.459 8.878 1.00 0.00 H new ATOM 1319 N SER A 84 -16.246 6.083 10.013 1.00 0.00 N ATOM 1320 CA SER A 84 -17.598 6.585 10.216 1.00 0.00 C ATOM 1321 C SER A 84 -18.263 5.841 11.370 1.00 0.00 C ATOM 1322 O SER A 84 -18.890 6.447 12.242 1.00 0.00 O ATOM 1323 CB SER A 84 -18.426 6.433 8.937 1.00 0.00 C ATOM 1324 OG SER A 84 -17.685 6.841 7.799 1.00 0.00 O ATOM 0 H SER A 84 -16.187 5.256 9.418 1.00 0.00 H new ATOM 0 HA SER A 84 -17.543 7.645 10.464 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.734 5.394 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 84 -19.335 7.029 9.016 1.00 0.00 H new ATOM 0 HG SER A 84 -17.021 6.155 7.578 1.00 0.00 H new ATOM 1330 N ASN A 85 -18.110 4.523 11.380 1.00 0.00 N ATOM 1331 CA ASN A 85 -18.628 3.703 12.457 1.00 0.00 C ATOM 1332 C ASN A 85 -17.516 2.814 12.962 1.00 0.00 C ATOM 1333 O ASN A 85 -16.873 2.123 12.173 1.00 0.00 O ATOM 1334 CB ASN A 85 -19.820 2.840 12.013 1.00 0.00 C ATOM 1335 CG ASN A 85 -20.098 2.896 10.520 1.00 0.00 C ATOM 1336 OD1 ASN A 85 -20.822 3.771 10.046 1.00 0.00 O ATOM 1337 ND2 ASN A 85 -19.537 1.958 9.771 1.00 0.00 N ATOM 0 H ASN A 85 -17.628 4.001 10.648 1.00 0.00 H new ATOM 0 HA ASN A 85 -18.988 4.364 13.246 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -19.633 1.805 12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -20.711 3.164 12.551 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -19.699 1.945 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -18.943 1.249 10.201 1.00 0.00 H new ATOM 1344 N HIS A 86 -17.277 2.849 14.266 1.00 0.00 N ATOM 1345 CA HIS A 86 -16.237 2.031 14.880 1.00 0.00 C ATOM 1346 C HIS A 86 -16.630 0.559 14.838 1.00 0.00 C ATOM 1347 O HIS A 86 -17.006 -0.027 15.857 1.00 0.00 O ATOM 1348 CB HIS A 86 -16.001 2.466 16.329 1.00 0.00 C ATOM 1349 CG HIS A 86 -14.610 2.943 16.609 1.00 0.00 C ATOM 1350 ND1 HIS A 86 -14.255 4.274 16.602 1.00 0.00 N ATOM 1351 CD2 HIS A 86 -13.485 2.260 16.928 1.00 0.00 C ATOM 1352 CE1 HIS A 86 -12.976 4.390 16.902 1.00 0.00 C ATOM 1353 NE2 HIS A 86 -12.486 3.185 17.106 1.00 0.00 N ATOM 0 H HIS A 86 -17.791 3.437 14.922 1.00 0.00 H new ATOM 0 HA HIS A 86 -15.314 2.168 14.317 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.703 3.263 16.576 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.225 1.628 16.989 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -13.391 1.188 17.024 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.424 5.316 16.969 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.520 2.973 17.356 1.00 0.00 H new ATOM 1362 N ILE A 87 -16.575 -0.017 13.648 1.00 0.00 N ATOM 1363 CA ILE A 87 -16.944 -1.407 13.442 1.00 0.00 C ATOM 1364 C ILE A 87 -15.713 -2.285 13.265 1.00 0.00 C ATOM 1365 O ILE A 87 -14.625 -1.803 12.943 1.00 0.00 O ATOM 1366 CB ILE A 87 -17.862 -1.564 12.209 1.00 0.00 C ATOM 1367 CG1 ILE A 87 -17.211 -0.938 10.969 1.00 0.00 C ATOM 1368 CG2 ILE A 87 -19.218 -0.929 12.474 1.00 0.00 C ATOM 1369 CD1 ILE A 87 -17.392 -1.759 9.711 1.00 0.00 C ATOM 0 H ILE A 87 -16.274 0.464 12.801 1.00 0.00 H new ATOM 0 HA ILE A 87 -17.484 -1.728 14.333 1.00 0.00 H new ATOM 0 HB ILE A 87 -18.007 -2.628 12.021 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.633 0.054 10.809 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -16.145 -0.805 11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -19.853 -1.048 11.596 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -19.687 -1.415 13.330 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -19.088 0.132 12.686 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -16.906 -1.256 8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -16.945 -2.743 9.851 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.455 -1.870 9.499 1.00 0.00 H new ATOM 1381 N LYS A 88 -15.899 -3.580 13.466 1.00 0.00 N ATOM 1382 CA LYS A 88 -14.827 -4.549 13.323 1.00 0.00 C ATOM 1383 C LYS A 88 -14.856 -5.137 11.919 1.00 0.00 C ATOM 1384 O LYS A 88 -15.266 -6.283 11.735 1.00 0.00 O ATOM 1385 CB LYS A 88 -14.966 -5.657 14.369 1.00 0.00 C ATOM 1386 CG LYS A 88 -13.703 -5.884 15.182 1.00 0.00 C ATOM 1387 CD LYS A 88 -13.597 -7.328 15.640 1.00 0.00 C ATOM 1388 CE LYS A 88 -13.630 -7.441 17.156 1.00 0.00 C ATOM 1389 NZ LYS A 88 -12.913 -8.649 17.635 1.00 0.00 N ATOM 0 H LYS A 88 -16.796 -3.987 13.732 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.871 -4.050 13.481 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.784 -5.407 15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.239 -6.586 13.869 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -12.830 -5.625 14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -13.702 -5.224 16.049 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -14.417 -7.906 15.214 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -12.671 -7.762 15.263 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -13.179 -6.552 17.597 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.665 -7.474 17.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -12.958 -8.690 18.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -13.359 -9.499 17.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.919 -8.605 17.333 1.00 0.00 H new ATOM 1403 N LEU A 89 -14.404 -4.318 10.962 1.00 0.00 N ATOM 1404 CA LEU A 89 -14.409 -4.619 9.514 1.00 0.00 C ATOM 1405 C LEU A 89 -14.516 -6.115 9.195 1.00 0.00 C ATOM 1406 O LEU A 89 -15.614 -6.630 8.975 1.00 0.00 O ATOM 1407 CB LEU A 89 -13.137 -4.060 8.866 1.00 0.00 C ATOM 1408 CG LEU A 89 -12.757 -2.632 9.270 1.00 0.00 C ATOM 1409 CD1 LEU A 89 -11.700 -2.647 10.366 1.00 0.00 C ATOM 1410 CD2 LEU A 89 -12.260 -1.857 8.061 1.00 0.00 C ATOM 0 H LEU A 89 -14.012 -3.400 11.173 1.00 0.00 H new ATOM 0 HA LEU A 89 -15.301 -4.143 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.306 -4.721 9.112 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.259 -4.091 7.783 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.645 -2.136 9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.444 -1.623 10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.090 -3.169 11.240 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.809 -3.160 10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.994 -0.844 8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -11.384 -2.354 7.645 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -13.046 -1.816 7.307 1.00 0.00 H new ATOM 1422 N SER A 90 -13.385 -6.803 9.165 1.00 0.00 N ATOM 1423 CA SER A 90 -13.375 -8.235 8.895 1.00 0.00 C ATOM 1424 C SER A 90 -12.822 -9.002 10.092 1.00 0.00 C ATOM 1425 O SER A 90 -12.223 -10.069 9.941 1.00 0.00 O ATOM 1426 CB SER A 90 -12.539 -8.526 7.645 1.00 0.00 C ATOM 1427 OG SER A 90 -12.191 -7.328 6.968 1.00 0.00 O ATOM 0 H SER A 90 -12.464 -6.395 9.324 1.00 0.00 H new ATOM 0 HA SER A 90 -14.399 -8.564 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.633 -9.063 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.099 -9.176 6.973 1.00 0.00 H new ATOM 0 HG SER A 90 -12.136 -7.501 6.005 1.00 0.00 H new ATOM 1433 N GLY A 91 -13.019 -8.446 11.284 1.00 0.00 N ATOM 1434 CA GLY A 91 -12.500 -9.057 12.496 1.00 0.00 C ATOM 1435 C GLY A 91 -11.019 -8.788 12.678 1.00 0.00 C ATOM 1436 O GLY A 91 -10.601 -8.202 13.678 1.00 0.00 O ATOM 0 H GLY A 91 -13.532 -7.577 11.433 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.047 -8.674 13.358 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.672 -10.133 12.462 1.00 0.00 H new ATOM 1440 N SER A 92 -10.235 -9.211 11.703 1.00 0.00 N ATOM 1441 CA SER A 92 -8.804 -8.963 11.696 1.00 0.00 C ATOM 1442 C SER A 92 -8.374 -8.535 10.295 1.00 0.00 C ATOM 1443 O SER A 92 -9.204 -8.093 9.498 1.00 0.00 O ATOM 1444 CB SER A 92 -8.045 -10.220 12.133 1.00 0.00 C ATOM 1445 OG SER A 92 -8.903 -11.353 12.197 1.00 0.00 O ATOM 0 H SER A 92 -10.571 -9.735 10.895 1.00 0.00 H new ATOM 0 HA SER A 92 -8.570 -8.165 12.401 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.233 -10.417 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.591 -10.051 13.109 1.00 0.00 H new ATOM 0 HG SER A 92 -8.388 -12.138 12.477 1.00 0.00 H new ATOM 1451 N ASN A 93 -7.088 -8.656 9.997 1.00 0.00 N ATOM 1452 CA ASN A 93 -6.583 -8.373 8.660 1.00 0.00 C ATOM 1453 C ASN A 93 -6.542 -9.662 7.852 1.00 0.00 C ATOM 1454 O ASN A 93 -5.676 -10.504 8.076 1.00 0.00 O ATOM 1455 CB ASN A 93 -5.178 -7.747 8.708 1.00 0.00 C ATOM 1456 CG ASN A 93 -4.776 -7.262 10.090 1.00 0.00 C ATOM 1457 OD1 ASN A 93 -4.516 -8.060 10.994 1.00 0.00 O ATOM 1458 ND2 ASN A 93 -4.708 -5.952 10.259 1.00 0.00 N ATOM 0 H ASN A 93 -6.374 -8.949 10.664 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.254 -7.656 8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -4.450 -8.482 8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.139 -6.909 8.012 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.432 -5.568 11.163 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.931 -5.326 9.485 1.00 0.00 H new ATOM 1465 N PRO A 94 -7.480 -9.841 6.910 1.00 0.00 N ATOM 1466 CA PRO A 94 -7.588 -11.077 6.130 1.00 0.00 C ATOM 1467 C PRO A 94 -6.387 -11.302 5.212 1.00 0.00 C ATOM 1468 O PRO A 94 -5.698 -12.320 5.312 1.00 0.00 O ATOM 1469 CB PRO A 94 -8.872 -10.882 5.316 1.00 0.00 C ATOM 1470 CG PRO A 94 -9.086 -9.408 5.265 1.00 0.00 C ATOM 1471 CD PRO A 94 -8.511 -8.855 6.537 1.00 0.00 C ATOM 0 HA PRO A 94 -7.611 -11.958 6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.770 -11.299 4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.716 -11.386 5.787 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.594 -8.973 4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.147 -9.172 5.183 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -8.082 -7.864 6.386 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.272 -8.758 7.312 1.00 0.00 H new ATOM 1479 N TYR A 95 -6.130 -10.354 4.321 1.00 0.00 N ATOM 1480 CA TYR A 95 -5.020 -10.460 3.394 1.00 0.00 C ATOM 1481 C TYR A 95 -4.072 -9.289 3.606 1.00 0.00 C ATOM 1482 O TYR A 95 -2.860 -9.402 3.429 1.00 0.00 O ATOM 1483 CB TYR A 95 -5.530 -10.471 1.947 1.00 0.00 C ATOM 1484 CG TYR A 95 -7.033 -10.579 1.826 1.00 0.00 C ATOM 1485 CD1 TYR A 95 -7.672 -11.807 1.926 1.00 0.00 C ATOM 1486 CD2 TYR A 95 -7.807 -9.453 1.610 1.00 0.00 C ATOM 1487 CE1 TYR A 95 -9.048 -11.903 1.811 1.00 0.00 C ATOM 1488 CE2 TYR A 95 -9.177 -9.540 1.496 1.00 0.00 C ATOM 1489 CZ TYR A 95 -9.795 -10.766 1.598 1.00 0.00 C ATOM 1490 OH TYR A 95 -11.166 -10.852 1.486 1.00 0.00 O ATOM 0 H TYR A 95 -6.680 -9.501 4.223 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.489 -11.394 3.578 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.200 -9.559 1.449 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -5.072 -11.306 1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.088 -12.699 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.328 -8.488 1.529 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -9.533 -12.865 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.764 -8.650 1.327 1.00 0.00 H new ATOM 0 HH TYR A 95 -11.586 -10.377 2.234 1.00 0.00 H new ATOM 1500 N THR A 96 -4.646 -8.163 4.000 1.00 0.00 N ATOM 1501 CA THR A 96 -3.908 -6.942 4.202 1.00 0.00 C ATOM 1502 C THR A 96 -3.192 -6.914 5.552 1.00 0.00 C ATOM 1503 O THR A 96 -3.601 -6.205 6.471 1.00 0.00 O ATOM 1504 CB THR A 96 -4.869 -5.752 4.106 1.00 0.00 C ATOM 1505 OG1 THR A 96 -6.147 -6.208 3.621 1.00 0.00 O ATOM 1506 CG2 THR A 96 -4.317 -4.706 3.166 1.00 0.00 C ATOM 0 H THR A 96 -5.645 -8.078 4.188 1.00 0.00 H new ATOM 0 HA THR A 96 -3.144 -6.882 3.427 1.00 0.00 H new ATOM 0 HB THR A 96 -4.986 -5.310 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.199 -6.067 2.653 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.010 -3.867 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.354 -4.356 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.188 -5.140 2.174 1.00 0.00 H new ATOM 1514 N THR A 97 -2.136 -7.706 5.666 1.00 0.00 N ATOM 1515 CA THR A 97 -1.246 -7.630 6.812 1.00 0.00 C ATOM 1516 C THR A 97 -0.503 -6.301 6.791 1.00 0.00 C ATOM 1517 O THR A 97 -0.230 -5.692 7.829 1.00 0.00 O ATOM 1518 CB THR A 97 -0.221 -8.776 6.782 1.00 0.00 C ATOM 1519 OG1 THR A 97 -0.873 -10.001 6.434 1.00 0.00 O ATOM 1520 CG2 THR A 97 0.473 -8.918 8.123 1.00 0.00 C ATOM 0 H THR A 97 -1.875 -8.410 4.976 1.00 0.00 H new ATOM 0 HA THR A 97 -1.844 -7.713 7.719 1.00 0.00 H new ATOM 0 HB THR A 97 0.534 -8.543 6.031 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.216 -10.727 6.415 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.193 -9.735 8.075 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.992 -7.990 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.267 -9.131 8.895 1.00 0.00 H new ATOM 1528 N VAL A 98 -0.178 -5.881 5.580 1.00 0.00 N ATOM 1529 CA VAL A 98 0.464 -4.599 5.328 1.00 0.00 C ATOM 1530 C VAL A 98 -0.437 -3.438 5.743 1.00 0.00 C ATOM 1531 O VAL A 98 -1.573 -3.323 5.280 1.00 0.00 O ATOM 1532 CB VAL A 98 0.824 -4.447 3.835 1.00 0.00 C ATOM 1533 CG1 VAL A 98 2.216 -4.990 3.564 1.00 0.00 C ATOM 1534 CG2 VAL A 98 -0.205 -5.151 2.959 1.00 0.00 C ATOM 0 H VAL A 98 -0.354 -6.425 4.735 1.00 0.00 H new ATOM 0 HA VAL A 98 1.376 -4.574 5.925 1.00 0.00 H new ATOM 0 HB VAL A 98 0.815 -3.386 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.452 -4.874 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.944 -4.440 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.253 -6.046 3.830 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.067 -5.032 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.231 -6.212 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.189 -4.714 3.130 1.00 0.00 H new ATOM 1544 N THR A 99 0.075 -2.589 6.618 1.00 0.00 N ATOM 1545 CA THR A 99 -0.670 -1.437 7.093 1.00 0.00 C ATOM 1546 C THR A 99 -0.189 -0.171 6.388 1.00 0.00 C ATOM 1547 O THR A 99 0.855 -0.183 5.727 1.00 0.00 O ATOM 1548 CB THR A 99 -0.496 -1.258 8.618 1.00 0.00 C ATOM 1549 OG1 THR A 99 0.871 -0.944 8.921 1.00 0.00 O ATOM 1550 CG2 THR A 99 -0.917 -2.517 9.365 1.00 0.00 C ATOM 0 H THR A 99 1.010 -2.678 7.016 1.00 0.00 H new ATOM 0 HA THR A 99 -1.724 -1.607 6.871 1.00 0.00 H new ATOM 0 HB THR A 99 -1.136 -0.437 8.942 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.974 -0.830 9.889 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.785 -2.366 10.436 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.965 -2.731 9.155 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.303 -3.356 9.039 1.00 0.00 H new ATOM 1558 N PRO A 100 -0.945 0.933 6.507 1.00 0.00 N ATOM 1559 CA PRO A 100 -0.512 2.238 6.006 1.00 0.00 C ATOM 1560 C PRO A 100 0.776 2.686 6.681 1.00 0.00 C ATOM 1561 O PRO A 100 1.618 3.339 6.070 1.00 0.00 O ATOM 1562 CB PRO A 100 -1.661 3.178 6.380 1.00 0.00 C ATOM 1563 CG PRO A 100 -2.832 2.287 6.594 1.00 0.00 C ATOM 1564 CD PRO A 100 -2.280 0.995 7.118 1.00 0.00 C ATOM 0 HA PRO A 100 -0.304 2.221 4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -1.428 3.747 7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -1.854 3.900 5.587 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.533 2.728 7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.377 2.129 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.226 0.991 8.207 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.897 0.145 6.827 1.00 0.00 H new ATOM 1572 N GLN A 101 0.932 2.294 7.941 1.00 0.00 N ATOM 1573 CA GLN A 101 2.109 2.649 8.714 1.00 0.00 C ATOM 1574 C GLN A 101 3.314 1.897 8.183 1.00 0.00 C ATOM 1575 O GLN A 101 4.387 2.464 8.014 1.00 0.00 O ATOM 1576 CB GLN A 101 1.897 2.322 10.193 1.00 0.00 C ATOM 1577 CG GLN A 101 1.879 3.549 11.090 1.00 0.00 C ATOM 1578 CD GLN A 101 0.599 4.348 10.956 1.00 0.00 C ATOM 1579 OE1 GLN A 101 -0.419 3.843 10.481 1.00 0.00 O ATOM 1580 NE2 GLN A 101 0.634 5.596 11.384 1.00 0.00 N ATOM 0 H GLN A 101 0.252 1.727 8.448 1.00 0.00 H new ATOM 0 HA GLN A 101 2.283 3.721 8.619 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.955 1.785 10.307 1.00 0.00 H new ATOM 0 HB3 GLN A 101 2.689 1.651 10.525 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.002 3.238 12.127 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.729 4.186 10.845 1.00 0.00 H new ATOM 0 HE21 GLN A 101 1.497 5.978 11.771 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -0.202 6.178 11.328 1.00 0.00 H new ATOM 1589 N ILE A 102 3.115 0.615 7.908 1.00 0.00 N ATOM 1590 CA ILE A 102 4.167 -0.216 7.346 1.00 0.00 C ATOM 1591 C ILE A 102 4.689 0.393 6.047 1.00 0.00 C ATOM 1592 O ILE A 102 5.885 0.605 5.896 1.00 0.00 O ATOM 1593 CB ILE A 102 3.662 -1.659 7.094 1.00 0.00 C ATOM 1594 CG1 ILE A 102 3.808 -2.496 8.366 1.00 0.00 C ATOM 1595 CG2 ILE A 102 4.409 -2.327 5.942 1.00 0.00 C ATOM 1596 CD1 ILE A 102 2.727 -3.539 8.522 1.00 0.00 C ATOM 0 H ILE A 102 2.232 0.129 8.066 1.00 0.00 H new ATOM 0 HA ILE A 102 4.982 -0.261 8.068 1.00 0.00 H new ATOM 0 HB ILE A 102 2.610 -1.597 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.780 -2.989 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.792 -1.834 9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 102 4.026 -3.337 5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.263 -1.749 5.030 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.473 -2.373 6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.890 -4.097 9.444 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.753 -3.051 8.561 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.756 -4.223 7.674 1.00 0.00 H new ATOM 1608 N ILE A 103 3.785 0.708 5.132 1.00 0.00 N ATOM 1609 CA ILE A 103 4.186 1.206 3.824 1.00 0.00 C ATOM 1610 C ILE A 103 4.730 2.640 3.889 1.00 0.00 C ATOM 1611 O ILE A 103 5.688 2.978 3.195 1.00 0.00 O ATOM 1612 CB ILE A 103 3.022 1.098 2.800 1.00 0.00 C ATOM 1613 CG1 ILE A 103 3.557 0.587 1.467 1.00 0.00 C ATOM 1614 CG2 ILE A 103 2.297 2.426 2.606 1.00 0.00 C ATOM 1615 CD1 ILE A 103 2.686 -0.471 0.829 1.00 0.00 C ATOM 0 H ILE A 103 2.777 0.629 5.268 1.00 0.00 H new ATOM 0 HA ILE A 103 5.002 0.570 3.481 1.00 0.00 H new ATOM 0 HB ILE A 103 2.293 0.393 3.200 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.656 1.427 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.556 0.179 1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 103 1.493 2.299 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 103 1.880 2.755 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 103 3.000 3.174 2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.130 -0.786 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.607 -1.329 1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.693 -0.062 0.645 1.00 0.00 H new ATOM 1627 N ASN A 104 4.141 3.477 4.733 1.00 0.00 N ATOM 1628 CA ASN A 104 4.545 4.879 4.800 1.00 0.00 C ATOM 1629 C ASN A 104 5.856 5.049 5.559 1.00 0.00 C ATOM 1630 O ASN A 104 6.780 5.698 5.072 1.00 0.00 O ATOM 1631 CB ASN A 104 3.451 5.736 5.442 1.00 0.00 C ATOM 1632 CG ASN A 104 3.264 7.062 4.727 1.00 0.00 C ATOM 1633 OD1 ASN A 104 3.402 7.154 3.503 1.00 0.00 O ATOM 1634 ND2 ASN A 104 2.951 8.100 5.485 1.00 0.00 N ATOM 0 H ASN A 104 3.391 3.216 5.374 1.00 0.00 H new ATOM 0 HA ASN A 104 4.699 5.218 3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 104 2.510 5.186 5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 104 3.703 5.921 6.486 1.00 0.00 H new ATOM 0 HD21 ASN A 104 2.815 9.018 5.062 1.00 0.00 H new ATOM 0 HD22 ASN A 104 2.846 7.982 6.493 1.00 0.00 H new ATOM 1641 N SER A 105 5.944 4.447 6.739 1.00 0.00 N ATOM 1642 CA SER A 105 7.135 4.583 7.568 1.00 0.00 C ATOM 1643 C SER A 105 8.333 3.868 6.941 1.00 0.00 C ATOM 1644 O SER A 105 9.475 4.288 7.120 1.00 0.00 O ATOM 1645 CB SER A 105 6.863 4.058 8.981 1.00 0.00 C ATOM 1646 OG SER A 105 5.697 4.656 9.529 1.00 0.00 O ATOM 0 H SER A 105 5.210 3.864 7.141 1.00 0.00 H new ATOM 0 HA SER A 105 7.383 5.642 7.634 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.742 2.975 8.954 1.00 0.00 H new ATOM 0 HB3 SER A 105 7.719 4.267 9.622 1.00 0.00 H new ATOM 0 HG SER A 105 4.906 4.153 9.243 1.00 0.00 H new ATOM 1652 N LYS A 106 8.078 2.796 6.196 1.00 0.00 N ATOM 1653 CA LYS A 106 9.153 2.096 5.503 1.00 0.00 C ATOM 1654 C LYS A 106 9.664 2.933 4.339 1.00 0.00 C ATOM 1655 O LYS A 106 10.853 2.912 4.028 1.00 0.00 O ATOM 1656 CB LYS A 106 8.693 0.726 5.006 1.00 0.00 C ATOM 1657 CG LYS A 106 8.934 -0.393 6.006 1.00 0.00 C ATOM 1658 CD LYS A 106 8.516 -1.742 5.445 1.00 0.00 C ATOM 1659 CE LYS A 106 9.712 -2.512 4.915 1.00 0.00 C ATOM 1660 NZ LYS A 106 9.312 -3.779 4.251 1.00 0.00 N ATOM 0 H LYS A 106 7.149 2.398 6.058 1.00 0.00 H new ATOM 0 HA LYS A 106 9.965 1.942 6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 106 7.629 0.771 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.214 0.491 4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.990 -0.421 6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 106 8.378 -0.190 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.021 -2.324 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.790 -1.597 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.259 -1.889 4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 106 10.393 -2.733 5.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 10.055 -4.072 3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.178 -4.520 4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.422 -3.634 3.734 1.00 0.00 H new ATOM 1674 N TRP A 107 8.767 3.672 3.702 1.00 0.00 N ATOM 1675 CA TRP A 107 9.155 4.591 2.644 1.00 0.00 C ATOM 1676 C TRP A 107 10.076 5.668 3.203 1.00 0.00 C ATOM 1677 O TRP A 107 11.115 5.981 2.621 1.00 0.00 O ATOM 1678 CB TRP A 107 7.922 5.234 2.010 1.00 0.00 C ATOM 1679 CG TRP A 107 8.255 6.229 0.942 1.00 0.00 C ATOM 1680 CD1 TRP A 107 8.420 7.577 1.084 1.00 0.00 C ATOM 1681 CD2 TRP A 107 8.470 5.946 -0.436 1.00 0.00 C ATOM 1682 NE1 TRP A 107 8.731 8.143 -0.124 1.00 0.00 N ATOM 1683 CE2 TRP A 107 8.758 7.161 -1.079 1.00 0.00 C ATOM 1684 CE3 TRP A 107 8.442 4.776 -1.187 1.00 0.00 C ATOM 1685 CZ2 TRP A 107 9.018 7.236 -2.443 1.00 0.00 C ATOM 1686 CZ3 TRP A 107 8.701 4.852 -2.539 1.00 0.00 C ATOM 1687 CH2 TRP A 107 8.983 6.073 -3.155 1.00 0.00 C ATOM 0 H TRP A 107 7.767 3.653 3.900 1.00 0.00 H new ATOM 0 HA TRP A 107 9.686 4.030 1.875 1.00 0.00 H new ATOM 0 HB2 TRP A 107 7.292 4.453 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 107 7.338 5.727 2.787 1.00 0.00 H new ATOM 0 HD1 TRP A 107 8.320 8.118 2.013 1.00 0.00 H new ATOM 0 HE1 TRP A 107 8.913 9.134 -0.286 1.00 0.00 H new ATOM 0 HE3 TRP A 107 8.222 3.827 -0.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 9.239 8.179 -2.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 8.685 3.950 -3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 107 9.177 6.097 -4.217 1.00 0.00 H new ATOM 1698 N GLU A 108 9.692 6.217 4.349 1.00 0.00 N ATOM 1699 CA GLU A 108 10.471 7.243 5.006 1.00 0.00 C ATOM 1700 C GLU A 108 11.810 6.679 5.465 1.00 0.00 C ATOM 1701 O GLU A 108 12.823 7.381 5.469 1.00 0.00 O ATOM 1702 CB GLU A 108 9.680 7.802 6.181 1.00 0.00 C ATOM 1703 CG GLU A 108 8.769 8.952 5.787 1.00 0.00 C ATOM 1704 CD GLU A 108 7.670 9.218 6.798 1.00 0.00 C ATOM 1705 OE1 GLU A 108 6.587 8.612 6.678 1.00 0.00 O ATOM 1706 OE2 GLU A 108 7.879 10.049 7.704 1.00 0.00 O ATOM 0 H GLU A 108 8.836 5.961 4.841 1.00 0.00 H new ATOM 0 HA GLU A 108 10.675 8.052 4.304 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.081 7.005 6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.373 8.142 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.367 9.855 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.318 8.734 4.819 1.00 0.00 H new ATOM 1713 N LYS A 109 11.807 5.404 5.840 1.00 0.00 N ATOM 1714 CA LYS A 109 13.032 4.704 6.202 1.00 0.00 C ATOM 1715 C LYS A 109 13.923 4.520 4.979 1.00 0.00 C ATOM 1716 O LYS A 109 15.142 4.625 5.066 1.00 0.00 O ATOM 1717 CB LYS A 109 12.705 3.343 6.822 1.00 0.00 C ATOM 1718 CG LYS A 109 13.490 3.052 8.088 1.00 0.00 C ATOM 1719 CD LYS A 109 12.920 3.800 9.283 1.00 0.00 C ATOM 1720 CE LYS A 109 13.944 3.938 10.397 1.00 0.00 C ATOM 1721 NZ LYS A 109 13.319 3.839 11.743 1.00 0.00 N ATOM 0 H LYS A 109 10.964 4.833 5.901 1.00 0.00 H new ATOM 0 HA LYS A 109 13.567 5.306 6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 109 11.639 3.301 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.907 2.561 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 109 13.476 1.981 8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 109 14.533 3.335 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 109 12.588 4.789 8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 109 12.042 3.273 9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 109 14.702 3.162 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 109 14.454 4.897 10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 14.052 3.938 12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 12.614 4.595 11.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 12.854 2.914 11.843 1.00 0.00 H new ATOM 1735 N VAL A 110 13.300 4.259 3.836 1.00 0.00 N ATOM 1736 CA VAL A 110 14.019 4.124 2.585 1.00 0.00 C ATOM 1737 C VAL A 110 14.686 5.452 2.227 1.00 0.00 C ATOM 1738 O VAL A 110 15.880 5.498 1.930 1.00 0.00 O ATOM 1739 CB VAL A 110 13.061 3.668 1.458 1.00 0.00 C ATOM 1740 CG1 VAL A 110 13.503 4.189 0.107 1.00 0.00 C ATOM 1741 CG2 VAL A 110 12.951 2.154 1.426 1.00 0.00 C ATOM 0 H VAL A 110 12.291 4.137 3.755 1.00 0.00 H new ATOM 0 HA VAL A 110 14.792 3.364 2.698 1.00 0.00 H new ATOM 0 HB VAL A 110 12.079 4.088 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 110 12.807 3.849 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 110 13.519 5.279 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.502 3.815 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 110 12.273 1.855 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.935 1.721 1.247 1.00 0.00 H new ATOM 0 HG23 VAL A 110 12.566 1.797 2.381 1.00 0.00 H new ATOM 1751 N GLN A 111 13.910 6.530 2.293 1.00 0.00 N ATOM 1752 CA GLN A 111 14.410 7.868 1.990 1.00 0.00 C ATOM 1753 C GLN A 111 15.519 8.272 2.950 1.00 0.00 C ATOM 1754 O GLN A 111 16.487 8.918 2.559 1.00 0.00 O ATOM 1755 CB GLN A 111 13.274 8.888 2.076 1.00 0.00 C ATOM 1756 CG GLN A 111 12.194 8.686 1.034 1.00 0.00 C ATOM 1757 CD GLN A 111 12.513 9.374 -0.280 1.00 0.00 C ATOM 1758 OE1 GLN A 111 13.510 10.094 -0.398 1.00 0.00 O ATOM 1759 NE2 GLN A 111 11.676 9.154 -1.281 1.00 0.00 N ATOM 0 H GLN A 111 12.925 6.502 2.556 1.00 0.00 H new ATOM 0 HA GLN A 111 14.813 7.850 0.978 1.00 0.00 H new ATOM 0 HB2 GLN A 111 12.824 8.835 3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 111 13.689 9.890 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 111 12.060 7.619 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 111 11.248 9.067 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 111 10.864 8.553 -1.144 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.843 9.586 -2.190 1.00 0.00 H new ATOM 1768 N GLN A 112 15.368 7.881 4.206 1.00 0.00 N ATOM 1769 CA GLN A 112 16.339 8.236 5.243 1.00 0.00 C ATOM 1770 C GLN A 112 17.611 7.388 5.146 1.00 0.00 C ATOM 1771 O GLN A 112 18.576 7.623 5.876 1.00 0.00 O ATOM 1772 CB GLN A 112 15.709 8.109 6.639 1.00 0.00 C ATOM 1773 CG GLN A 112 15.819 6.721 7.257 1.00 0.00 C ATOM 1774 CD GLN A 112 16.336 6.754 8.681 1.00 0.00 C ATOM 1775 OE1 GLN A 112 15.566 6.662 9.638 1.00 0.00 O ATOM 1776 NE2 GLN A 112 17.643 6.886 8.830 1.00 0.00 N ATOM 0 H GLN A 112 14.585 7.318 4.537 1.00 0.00 H new ATOM 0 HA GLN A 112 16.626 9.275 5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 112 16.185 8.828 7.305 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.656 8.382 6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 112 14.840 6.242 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 112 16.483 6.108 6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 112 18.245 6.959 8.010 1.00 0.00 H new ATOM 0 HE22 GLN A 112 18.049 6.915 9.765 1.00 0.00 H new ATOM 1785 N LEU A 113 17.612 6.406 4.253 1.00 0.00 N ATOM 1786 CA LEU A 113 18.797 5.586 4.023 1.00 0.00 C ATOM 1787 C LEU A 113 19.502 6.023 2.743 1.00 0.00 C ATOM 1788 O LEU A 113 20.595 5.559 2.422 1.00 0.00 O ATOM 1789 CB LEU A 113 18.421 4.105 3.912 1.00 0.00 C ATOM 1790 CG LEU A 113 17.977 3.424 5.209 1.00 0.00 C ATOM 1791 CD1 LEU A 113 18.178 1.922 5.107 1.00 0.00 C ATOM 1792 CD2 LEU A 113 18.740 3.978 6.401 1.00 0.00 C ATOM 0 H LEU A 113 16.808 6.158 3.677 1.00 0.00 H new ATOM 0 HA LEU A 113 19.467 5.719 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 113 17.618 4.009 3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 113 19.279 3.562 3.516 1.00 0.00 H new ATOM 0 HG LEU A 113 16.917 3.630 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 113 17.859 1.448 6.035 1.00 0.00 H new ATOM 0 HD12 LEU A 113 17.587 1.531 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 113 19.232 1.707 4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.407 3.478 7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.807 3.805 6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.554 5.049 6.486 1.00 0.00 H new ATOM 1804 N VAL A 114 18.856 6.919 2.015 1.00 0.00 N ATOM 1805 CA VAL A 114 19.348 7.372 0.732 1.00 0.00 C ATOM 1806 C VAL A 114 20.582 8.281 0.860 1.00 0.00 C ATOM 1807 O VAL A 114 21.599 8.009 0.216 1.00 0.00 O ATOM 1808 CB VAL A 114 18.221 8.073 -0.052 1.00 0.00 C ATOM 1809 CG1 VAL A 114 18.736 8.697 -1.323 1.00 0.00 C ATOM 1810 CG2 VAL A 114 17.127 7.085 -0.380 1.00 0.00 C ATOM 0 H VAL A 114 17.977 7.350 2.300 1.00 0.00 H new ATOM 0 HA VAL A 114 19.671 6.491 0.177 1.00 0.00 H new ATOM 0 HB VAL A 114 17.823 8.867 0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.914 9.182 -1.849 1.00 0.00 H new ATOM 0 HG12 VAL A 114 19.499 9.437 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 114 19.168 7.924 -1.959 1.00 0.00 H new ATOM 0 HG21 VAL A 114 16.335 7.589 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 114 17.536 6.277 -0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 114 16.719 6.674 0.543 1.00 0.00 H new ATOM 1820 N PRO A 115 20.531 9.361 1.681 1.00 0.00 N ATOM 1821 CA PRO A 115 21.653 10.303 1.821 1.00 0.00 C ATOM 1822 C PRO A 115 22.951 9.636 2.276 1.00 0.00 C ATOM 1823 O PRO A 115 24.010 9.882 1.703 1.00 0.00 O ATOM 1824 CB PRO A 115 21.170 11.300 2.878 1.00 0.00 C ATOM 1825 CG PRO A 115 19.688 11.197 2.849 1.00 0.00 C ATOM 1826 CD PRO A 115 19.385 9.766 2.518 1.00 0.00 C ATOM 0 HA PRO A 115 21.899 10.760 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 115 21.564 11.053 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 115 21.501 12.313 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 115 19.258 11.476 3.811 1.00 0.00 H new ATOM 0 HG3 PRO A 115 19.264 11.869 2.103 1.00 0.00 H new ATOM 0 HD2 PRO A 115 19.306 9.153 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 115 18.441 9.668 1.982 1.00 0.00 H new ATOM 1834 N LYS A 116 22.867 8.790 3.304 1.00 0.00 N ATOM 1835 CA LYS A 116 24.051 8.106 3.823 1.00 0.00 C ATOM 1836 C LYS A 116 24.728 7.277 2.732 1.00 0.00 C ATOM 1837 O LYS A 116 25.953 7.210 2.657 1.00 0.00 O ATOM 1838 CB LYS A 116 23.691 7.224 5.032 1.00 0.00 C ATOM 1839 CG LYS A 116 22.938 5.946 4.685 1.00 0.00 C ATOM 1840 CD LYS A 116 22.663 5.106 5.921 1.00 0.00 C ATOM 1841 CE LYS A 116 22.937 3.628 5.670 1.00 0.00 C ATOM 1842 NZ LYS A 116 22.945 2.844 6.933 1.00 0.00 N ATOM 0 H LYS A 116 21.999 8.564 3.790 1.00 0.00 H new ATOM 0 HA LYS A 116 24.757 8.867 4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 116 24.609 6.958 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 116 23.086 7.809 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.996 6.199 4.199 1.00 0.00 H new ATOM 0 HG3 LYS A 116 23.519 5.363 3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 116 23.284 5.457 6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 116 21.625 5.237 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.178 3.227 4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 116 23.898 3.517 5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 23.135 1.844 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 23.686 3.210 7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 22.020 2.929 7.400 1.00 0.00 H new ATOM 1856 N ARG A 117 23.922 6.668 1.866 1.00 0.00 N ATOM 1857 CA ARG A 117 24.448 5.863 0.773 1.00 0.00 C ATOM 1858 C ARG A 117 24.988 6.760 -0.327 1.00 0.00 C ATOM 1859 O ARG A 117 26.032 6.475 -0.905 1.00 0.00 O ATOM 1860 CB ARG A 117 23.365 4.918 0.239 1.00 0.00 C ATOM 1861 CG ARG A 117 23.701 4.279 -1.100 1.00 0.00 C ATOM 1862 CD ARG A 117 24.787 3.221 -0.971 1.00 0.00 C ATOM 1863 NE ARG A 117 24.522 2.063 -1.829 1.00 0.00 N ATOM 1864 CZ ARG A 117 24.289 0.835 -1.366 1.00 0.00 C ATOM 1865 NH1 ARG A 117 24.412 0.579 -0.072 1.00 0.00 N ATOM 1866 NH2 ARG A 117 23.968 -0.147 -2.204 1.00 0.00 N ATOM 0 H ARG A 117 22.904 6.718 1.902 1.00 0.00 H new ATOM 0 HA ARG A 117 25.271 5.253 1.145 1.00 0.00 H new ATOM 0 HB2 ARG A 117 23.192 4.130 0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 117 22.431 5.472 0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 117 22.803 3.827 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 117 24.027 5.050 -1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 117 25.751 3.656 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 117 24.857 2.896 0.067 1.00 0.00 H new ATOM 0 HE ARG A 117 24.515 2.205 -2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 117 24.685 1.322 0.571 1.00 0.00 H new ATOM 0 HH12 ARG A 117 24.233 -0.361 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 117 23.899 0.038 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 117 23.790 -1.085 -1.846 1.00 0.00 H new ATOM 1880 N ASP A 118 24.288 7.852 -0.589 1.00 0.00 N ATOM 1881 CA ASP A 118 24.718 8.824 -1.593 1.00 0.00 C ATOM 1882 C ASP A 118 26.068 9.412 -1.212 1.00 0.00 C ATOM 1883 O ASP A 118 26.879 9.759 -2.072 1.00 0.00 O ATOM 1884 CB ASP A 118 23.684 9.946 -1.710 1.00 0.00 C ATOM 1885 CG ASP A 118 23.079 10.048 -3.096 1.00 0.00 C ATOM 1886 OD1 ASP A 118 23.668 9.508 -4.049 1.00 0.00 O ATOM 1887 OD2 ASP A 118 21.994 10.656 -3.227 1.00 0.00 O ATOM 0 H ASP A 118 23.415 8.092 -0.120 1.00 0.00 H new ATOM 0 HA ASP A 118 24.810 8.316 -2.553 1.00 0.00 H new ATOM 0 HB2 ASP A 118 22.889 9.778 -0.983 1.00 0.00 H new ATOM 0 HB3 ASP A 118 24.155 10.895 -1.454 1.00 0.00 H new ATOM 1892 N HIS A 119 26.308 9.498 0.089 1.00 0.00 N ATOM 1893 CA HIS A 119 27.546 10.053 0.610 1.00 0.00 C ATOM 1894 C HIS A 119 28.657 9.014 0.539 1.00 0.00 C ATOM 1895 O HIS A 119 29.779 9.311 0.124 1.00 0.00 O ATOM 1896 CB HIS A 119 27.345 10.520 2.056 1.00 0.00 C ATOM 1897 CG HIS A 119 28.299 11.589 2.493 1.00 0.00 C ATOM 1898 ND1 HIS A 119 27.927 12.905 2.674 1.00 0.00 N ATOM 1899 CD2 HIS A 119 29.617 11.530 2.798 1.00 0.00 C ATOM 1900 CE1 HIS A 119 28.973 13.604 3.070 1.00 0.00 C ATOM 1901 NE2 HIS A 119 30.011 12.794 3.153 1.00 0.00 N ATOM 0 H HIS A 119 25.654 9.187 0.807 1.00 0.00 H new ATOM 0 HA HIS A 119 27.832 10.911 0.002 1.00 0.00 H new ATOM 0 HB2 HIS A 119 26.326 10.890 2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 119 27.448 9.662 2.721 1.00 0.00 H new ATOM 0 HD2 HIS A 119 30.242 10.650 2.767 1.00 0.00 H new ATOM 0 HE1 HIS A 119 28.979 14.661 3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 119 30.953 13.064 3.435 1.00 0.00 H new ATOM 1910 N ALA A 120 28.331 7.788 0.932 1.00 0.00 N ATOM 1911 CA ALA A 120 29.287 6.690 0.891 1.00 0.00 C ATOM 1912 C ALA A 120 29.694 6.379 -0.546 1.00 0.00 C ATOM 1913 O ALA A 120 30.846 6.040 -0.818 1.00 0.00 O ATOM 1914 CB ALA A 120 28.701 5.453 1.555 1.00 0.00 C ATOM 0 H ALA A 120 27.409 7.530 1.283 1.00 0.00 H new ATOM 0 HA ALA A 120 30.179 6.993 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 120 29.427 4.641 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 120 28.462 5.677 2.595 1.00 0.00 H new ATOM 0 HB3 ALA A 120 27.794 5.154 1.030 1.00 0.00 H new ATOM 1920 N LEU A 121 28.741 6.500 -1.464 1.00 0.00 N ATOM 1921 CA LEU A 121 29.001 6.270 -2.878 1.00 0.00 C ATOM 1922 C LEU A 121 30.018 7.271 -3.396 1.00 0.00 C ATOM 1923 O LEU A 121 30.976 6.906 -4.080 1.00 0.00 O ATOM 1924 CB LEU A 121 27.709 6.385 -3.685 1.00 0.00 C ATOM 1925 CG LEU A 121 26.758 5.198 -3.560 1.00 0.00 C ATOM 1926 CD1 LEU A 121 25.355 5.597 -3.984 1.00 0.00 C ATOM 1927 CD2 LEU A 121 27.258 4.026 -4.385 1.00 0.00 C ATOM 0 H LEU A 121 27.777 6.757 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 121 29.401 5.263 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 121 27.183 7.287 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 121 27.966 6.515 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 121 26.725 4.888 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 121 24.689 4.740 -3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 121 24.998 6.406 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 121 25.370 5.932 -5.021 1.00 0.00 H new ATOM 0 HD21 LEU A 121 26.567 3.189 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 121 27.321 4.319 -5.433 1.00 0.00 H new ATOM 0 HD23 LEU A 121 28.245 3.727 -4.032 1.00 0.00 H new ATOM 1939 N LEU A 122 29.799 8.535 -3.063 1.00 0.00 N ATOM 1940 CA LEU A 122 30.719 9.595 -3.454 1.00 0.00 C ATOM 1941 C LEU A 122 32.090 9.387 -2.822 1.00 0.00 C ATOM 1942 O LEU A 122 33.112 9.658 -3.450 1.00 0.00 O ATOM 1943 CB LEU A 122 30.160 10.961 -3.061 1.00 0.00 C ATOM 1944 CG LEU A 122 29.623 11.791 -4.225 1.00 0.00 C ATOM 1945 CD1 LEU A 122 28.371 12.543 -3.811 1.00 0.00 C ATOM 1946 CD2 LEU A 122 30.687 12.755 -4.725 1.00 0.00 C ATOM 0 H LEU A 122 28.993 8.852 -2.524 1.00 0.00 H new ATOM 0 HA LEU A 122 30.832 9.560 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 122 29.359 10.815 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 122 30.944 11.528 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 122 29.362 11.115 -5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 122 28.003 13.129 -4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 122 27.605 11.832 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 122 28.605 13.209 -2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 122 30.288 13.339 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 122 30.979 13.425 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 122 31.558 12.193 -5.063 1.00 0.00 H new ATOM 1958 N GLU A 123 32.107 8.899 -1.587 1.00 0.00 N ATOM 1959 CA GLU A 123 33.357 8.601 -0.903 1.00 0.00 C ATOM 1960 C GLU A 123 34.179 7.592 -1.702 1.00 0.00 C ATOM 1961 O GLU A 123 35.364 7.808 -1.959 1.00 0.00 O ATOM 1962 CB GLU A 123 33.085 8.057 0.502 1.00 0.00 C ATOM 1963 CG GLU A 123 32.893 9.137 1.551 1.00 0.00 C ATOM 1964 CD GLU A 123 33.893 10.265 1.413 1.00 0.00 C ATOM 1965 OE1 GLU A 123 35.095 10.038 1.674 1.00 0.00 O ATOM 1966 OE2 GLU A 123 33.486 11.385 1.046 1.00 0.00 O ATOM 0 H GLU A 123 31.269 8.702 -1.040 1.00 0.00 H new ATOM 0 HA GLU A 123 33.925 9.527 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 123 32.194 7.430 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 123 33.915 7.417 0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 123 31.883 9.540 1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 123 32.984 8.695 2.543 1.00 0.00 H new ATOM 1973 N GLU A 124 33.533 6.510 -2.121 1.00 0.00 N ATOM 1974 CA GLU A 124 34.216 5.444 -2.841 1.00 0.00 C ATOM 1975 C GLU A 124 34.581 5.861 -4.261 1.00 0.00 C ATOM 1976 O GLU A 124 35.681 5.575 -4.726 1.00 0.00 O ATOM 1977 CB GLU A 124 33.352 4.183 -2.872 1.00 0.00 C ATOM 1978 CG GLU A 124 34.089 2.907 -2.480 1.00 0.00 C ATOM 1979 CD GLU A 124 35.577 3.114 -2.248 1.00 0.00 C ATOM 1980 OE1 GLU A 124 35.949 3.641 -1.178 1.00 0.00 O ATOM 1981 OE2 GLU A 124 36.383 2.731 -3.127 1.00 0.00 O ATOM 0 H GLU A 124 32.537 6.349 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 124 35.143 5.233 -2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 124 32.505 4.320 -2.200 1.00 0.00 H new ATOM 0 HB3 GLU A 124 32.945 4.060 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 124 33.641 2.502 -1.573 1.00 0.00 H new ATOM 0 HG3 GLU A 124 33.952 2.162 -3.264 1.00 0.00 H new ATOM 1988 N GLN A 125 33.671 6.546 -4.942 1.00 0.00 N ATOM 1989 CA GLN A 125 33.906 6.947 -6.328 1.00 0.00 C ATOM 1990 C GLN A 125 35.105 7.889 -6.433 1.00 0.00 C ATOM 1991 O GLN A 125 35.790 7.922 -7.454 1.00 0.00 O ATOM 1992 CB GLN A 125 32.651 7.597 -6.924 1.00 0.00 C ATOM 1993 CG GLN A 125 32.422 9.028 -6.473 1.00 0.00 C ATOM 1994 CD GLN A 125 31.471 9.787 -7.373 1.00 0.00 C ATOM 1995 OE1 GLN A 125 31.850 10.764 -8.017 1.00 0.00 O ATOM 1996 NE2 GLN A 125 30.226 9.345 -7.417 1.00 0.00 N ATOM 0 H GLN A 125 32.769 6.835 -4.563 1.00 0.00 H new ATOM 0 HA GLN A 125 34.134 6.050 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 125 32.726 7.577 -8.011 1.00 0.00 H new ATOM 0 HB3 GLN A 125 31.781 6.998 -6.654 1.00 0.00 H new ATOM 0 HG2 GLN A 125 32.027 9.024 -5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 125 33.378 9.550 -6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 125 29.954 8.531 -6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 125 29.537 9.818 -8.002 1.00 0.00 H new ATOM 2005 N SER A 126 35.367 8.634 -5.367 1.00 0.00 N ATOM 2006 CA SER A 126 36.507 9.540 -5.340 1.00 0.00 C ATOM 2007 C SER A 126 37.726 8.848 -4.740 1.00 0.00 C ATOM 2008 O SER A 126 38.821 9.411 -4.693 1.00 0.00 O ATOM 2009 CB SER A 126 36.162 10.802 -4.551 1.00 0.00 C ATOM 2010 OG SER A 126 34.807 11.167 -4.755 1.00 0.00 O ATOM 0 H SER A 126 34.808 8.629 -4.514 1.00 0.00 H new ATOM 0 HA SER A 126 36.747 9.827 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 126 36.342 10.634 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 126 36.814 11.619 -4.859 1.00 0.00 H new ATOM 0 HG SER A 126 34.260 10.817 -4.021 1.00 0.00 H new ATOM 2016 N LYS A 127 37.528 7.623 -4.272 1.00 0.00 N ATOM 2017 CA LYS A 127 38.616 6.820 -3.746 1.00 0.00 C ATOM 2018 C LYS A 127 39.105 5.842 -4.804 1.00 0.00 C ATOM 2019 O LYS A 127 40.013 5.046 -4.557 1.00 0.00 O ATOM 2020 CB LYS A 127 38.159 6.055 -2.507 1.00 0.00 C ATOM 2021 CG LYS A 127 38.492 6.756 -1.203 1.00 0.00 C ATOM 2022 CD LYS A 127 37.950 5.984 -0.015 1.00 0.00 C ATOM 2023 CE LYS A 127 38.857 4.821 0.362 1.00 0.00 C ATOM 2024 NZ LYS A 127 40.277 5.242 0.505 1.00 0.00 N ATOM 0 H LYS A 127 36.617 7.164 -4.247 1.00 0.00 H new ATOM 0 HA LYS A 127 39.435 7.484 -3.469 1.00 0.00 H new ATOM 0 HB2 LYS A 127 37.081 5.901 -2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 127 38.622 5.068 -2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 127 39.573 6.862 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 127 38.072 7.762 -1.209 1.00 0.00 H new ATOM 0 HD2 LYS A 127 37.845 6.655 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 127 36.954 5.608 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 127 38.513 4.383 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 127 38.785 4.044 -0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 40.731 4.683 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 40.777 5.087 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 40.317 6.251 0.754 1.00 0.00 H new ATOM 2038 N GLN A 128 38.476 5.890 -5.971 1.00 0.00 N ATOM 2039 CA GLN A 128 38.856 5.052 -7.085 1.00 0.00 C ATOM 2040 C GLN A 128 39.966 5.709 -7.901 1.00 0.00 C ATOM 2041 O GLN A 128 40.936 6.235 -7.347 1.00 0.00 O ATOM 2042 CB GLN A 128 37.633 4.795 -7.956 1.00 0.00 C ATOM 2043 CG GLN A 128 36.558 3.975 -7.267 1.00 0.00 C ATOM 2044 CD GLN A 128 36.960 2.525 -7.093 1.00 0.00 C ATOM 2045 OE1 GLN A 128 37.288 1.837 -8.060 1.00 0.00 O ATOM 2046 NE2 GLN A 128 36.939 2.050 -5.859 1.00 0.00 N ATOM 0 H GLN A 128 37.691 6.511 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 128 39.238 4.104 -6.707 1.00 0.00 H new ATOM 0 HB2 GLN A 128 37.208 5.751 -8.263 1.00 0.00 H new ATOM 0 HB3 GLN A 128 37.946 4.279 -8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 128 36.344 4.409 -6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 128 35.637 4.027 -7.848 1.00 0.00 H new ATOM 0 HE21 GLN A 128 36.661 2.653 -5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 128 37.201 1.080 -5.681 1.00 0.00 H new ATOM 2055 N GLN A 129 39.818 5.690 -9.214 1.00 0.00 N ATOM 2056 CA GLN A 129 40.817 6.255 -10.101 1.00 0.00 C ATOM 2057 C GLN A 129 40.147 7.076 -11.184 1.00 0.00 C ATOM 2058 O GLN A 129 39.087 6.645 -11.676 1.00 0.00 O ATOM 2059 CB GLN A 129 41.656 5.138 -10.722 1.00 0.00 C ATOM 2060 CG GLN A 129 40.851 3.912 -11.121 1.00 0.00 C ATOM 2061 CD GLN A 129 40.783 3.709 -12.619 1.00 0.00 C ATOM 2062 OE1 GLN A 129 41.290 2.718 -13.144 1.00 0.00 O ATOM 2063 NE2 GLN A 129 40.131 4.628 -13.316 1.00 0.00 N ATOM 2064 OXT GLN A 129 40.678 8.148 -11.535 1.00 0.00 O ATOM 0 H GLN A 129 39.011 5.287 -9.690 1.00 0.00 H new ATOM 0 HA GLN A 129 41.474 6.908 -9.526 1.00 0.00 H new ATOM 0 HB2 GLN A 129 42.167 5.527 -11.603 1.00 0.00 H new ATOM 0 HB3 GLN A 129 42.427 4.839 -10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 129 41.293 3.029 -10.660 1.00 0.00 H new ATOM 0 HG3 GLN A 129 39.839 4.005 -10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 129 39.725 5.435 -12.842 1.00 0.00 H new ATOM 0 HE22 GLN A 129 40.035 4.529 -14.327 1.00 0.00 H new TER 2073 GLN A 129