USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 633 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 64 GLN : amide:sc= -0.255 K(o=-0.66,f=-1.2) USER MOD Set 1.2: A 67 MET CE :methyl -168:sc= -0.404 (180deg=-1.1) USER MOD Single : A 1 GLY N :NH3+ -117:sc= -0.465 (180deg=-1.74!) USER MOD Single : A 4 ASN : amide:sc= -0.0496 K(o=-0.05,f=-1.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 11 GLN :FLIP amide:sc= -2.13 F(o=-3.3,f=-2.1) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 13 CYS SG : rot 75:sc= 0.64 USER MOD Single : A 14 CYS SG : rot -150:sc= -0.113 USER MOD Single : A 16 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.124) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.0204 (180deg=-0.348) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.4!) USER MOD Single : A 34 THR OG1 : rot -3:sc= 0.437 USER MOD Single : A 38 SER OG : rot 180:sc= -0.394 USER MOD Single : A 39 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=-0.29) USER MOD Single : A 42 THR OG1 : rot 9:sc= -0.443! USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= -0.0314 (180deg=-0.331) USER MOD Single : A 56 CYS SG : rot 27:sc= 0.194 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.0723 (180deg=-0.665) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 159:sc= -0.0722 (180deg=-0.68) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= -0.248 (180deg=-1.18) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.715 F(o=-2.9!,f=-0.72) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -157:sc= -0.0795 (180deg=-0.768) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.510 8.328 9.440 1.00 0.00 N ATOM 2 CA GLY A 1 -13.639 7.295 10.507 1.00 0.00 C ATOM 3 C GLY A 1 -15.056 6.733 10.498 1.00 0.00 C ATOM 4 O GLY A 1 -15.872 7.065 11.360 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.807 8.018 8.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.429 8.461 8.972 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.204 9.227 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.917 6.495 10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.415 7.732 11.480 1.00 0.00 H new ATOM 10 N PRO A 2 -15.359 5.892 9.543 1.00 0.00 N ATOM 11 CA PRO A 2 -16.711 5.264 9.411 1.00 0.00 C ATOM 12 C PRO A 2 -17.098 4.471 10.662 1.00 0.00 C ATOM 13 O PRO A 2 -16.242 3.882 11.323 1.00 0.00 O ATOM 14 CB PRO A 2 -16.565 4.334 8.189 1.00 0.00 C ATOM 15 CG PRO A 2 -15.398 4.877 7.426 1.00 0.00 C ATOM 16 CD PRO A 2 -14.450 5.451 8.476 1.00 0.00 C ATOM 0 HA PRO A 2 -17.500 6.006 9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -16.390 3.303 8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -17.470 4.336 7.581 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.911 4.094 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.714 5.646 6.722 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.743 4.702 8.833 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.863 6.279 8.079 1.00 0.00 H new ATOM 24 N GLY A 3 -18.389 4.462 10.975 1.00 0.00 N ATOM 25 CA GLY A 3 -18.871 3.733 12.142 1.00 0.00 C ATOM 26 C GLY A 3 -18.818 2.230 11.898 1.00 0.00 C ATOM 27 O GLY A 3 -19.560 1.698 11.069 1.00 0.00 O ATOM 0 H GLY A 3 -19.113 4.945 10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.265 3.987 13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.894 4.034 12.368 1.00 0.00 H new ATOM 31 N ASN A 4 -17.940 1.551 12.626 1.00 0.00 N ATOM 32 CA ASN A 4 -17.798 0.109 12.483 1.00 0.00 C ATOM 33 C ASN A 4 -19.081 -0.600 12.877 1.00 0.00 C ATOM 34 O ASN A 4 -19.473 -1.573 12.231 1.00 0.00 O ATOM 35 CB ASN A 4 -16.652 -0.397 13.360 1.00 0.00 C ATOM 36 CG ASN A 4 -15.318 0.043 12.770 1.00 0.00 C ATOM 37 OD1 ASN A 4 -15.231 0.329 11.576 1.00 0.00 O ATOM 38 ND2 ASN A 4 -14.268 0.121 13.542 1.00 0.00 N ATOM 0 H ASN A 4 -17.320 1.973 13.317 1.00 0.00 H new ATOM 0 HA ASN A 4 -17.581 -0.107 11.437 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -16.758 -0.008 14.373 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -16.688 -1.484 13.430 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.372 0.420 13.156 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.343 -0.117 14.531 1.00 0.00 H new ATOM 45 N ASP A 5 -19.729 -0.110 13.942 1.00 0.00 N ATOM 46 CA ASP A 5 -20.968 -0.717 14.430 1.00 0.00 C ATOM 47 C ASP A 5 -21.815 -1.232 13.261 1.00 0.00 C ATOM 48 O ASP A 5 -22.512 -0.460 12.604 1.00 0.00 O ATOM 49 CB ASP A 5 -21.780 0.311 15.221 1.00 0.00 C ATOM 50 CG ASP A 5 -22.988 -0.375 15.853 1.00 0.00 C ATOM 51 OD1 ASP A 5 -23.279 -1.497 15.468 1.00 0.00 O ATOM 52 OD2 ASP A 5 -23.599 0.226 16.721 1.00 0.00 O ATOM 0 H ASP A 5 -19.416 0.700 14.477 1.00 0.00 H new ATOM 0 HA ASP A 5 -20.704 -1.554 15.076 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -21.159 0.764 15.994 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -22.108 1.116 14.563 1.00 0.00 H new ATOM 57 N PRO A 6 -21.753 -2.515 12.984 1.00 0.00 N ATOM 58 CA PRO A 6 -22.522 -3.133 11.859 1.00 0.00 C ATOM 59 C PRO A 6 -24.018 -2.816 11.924 1.00 0.00 C ATOM 60 O PRO A 6 -24.645 -2.893 12.980 1.00 0.00 O ATOM 61 CB PRO A 6 -22.272 -4.641 12.045 1.00 0.00 C ATOM 62 CG PRO A 6 -20.971 -4.728 12.767 1.00 0.00 C ATOM 63 CD PRO A 6 -20.940 -3.523 13.695 1.00 0.00 C ATOM 0 HA PRO A 6 -22.203 -2.752 10.889 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.074 -5.107 12.618 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -22.226 -5.155 11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -20.896 -5.659 13.330 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -20.133 -4.708 12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -21.360 -3.759 14.673 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.922 -3.172 13.862 1.00 0.00 H new ATOM 71 N ILE A 7 -24.582 -2.468 10.778 1.00 0.00 N ATOM 72 CA ILE A 7 -25.997 -2.141 10.706 1.00 0.00 C ATOM 73 C ILE A 7 -26.838 -3.396 10.876 1.00 0.00 C ATOM 74 O ILE A 7 -28.056 -3.317 11.050 1.00 0.00 O ATOM 75 CB ILE A 7 -26.322 -1.479 9.362 1.00 0.00 C ATOM 76 CG1 ILE A 7 -25.696 -0.080 9.314 1.00 0.00 C ATOM 77 CG2 ILE A 7 -27.848 -1.356 9.204 1.00 0.00 C ATOM 78 CD1 ILE A 7 -24.183 -0.177 9.056 1.00 0.00 C ATOM 0 H ILE A 7 -24.085 -2.405 9.890 1.00 0.00 H new ATOM 0 HA ILE A 7 -26.231 -1.445 11.511 1.00 0.00 H new ATOM 0 HB ILE A 7 -25.918 -2.089 8.554 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -26.168 0.510 8.528 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.878 0.439 10.255 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.078 -0.885 8.248 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -28.298 -2.348 9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -28.250 -0.747 10.014 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -23.754 0.825 9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -23.713 -0.748 9.857 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -24.008 -0.676 8.103 1.00 0.00 H new ATOM 90 N SER A 8 -26.190 -4.548 10.821 1.00 0.00 N ATOM 91 CA SER A 8 -26.902 -5.804 10.952 1.00 0.00 C ATOM 92 C SER A 8 -27.746 -5.777 12.214 1.00 0.00 C ATOM 93 O SER A 8 -28.752 -6.478 12.310 1.00 0.00 O ATOM 94 CB SER A 8 -25.900 -6.959 11.031 1.00 0.00 C ATOM 95 OG SER A 8 -25.081 -6.789 12.180 1.00 0.00 O ATOM 0 H SER A 8 -25.183 -4.638 10.688 1.00 0.00 H new ATOM 0 HA SER A 8 -27.547 -5.946 10.085 1.00 0.00 H new ATOM 0 HB2 SER A 8 -26.428 -7.911 11.083 1.00 0.00 H new ATOM 0 HB3 SER A 8 -25.285 -6.985 10.132 1.00 0.00 H new ATOM 0 HG SER A 8 -24.439 -7.527 12.236 1.00 0.00 H new ATOM 101 N GLN A 9 -27.347 -4.955 13.178 1.00 0.00 N ATOM 102 CA GLN A 9 -28.115 -4.853 14.416 1.00 0.00 C ATOM 103 C GLN A 9 -29.532 -4.344 14.138 1.00 0.00 C ATOM 104 O GLN A 9 -30.515 -4.953 14.556 1.00 0.00 O ATOM 105 CB GLN A 9 -27.410 -3.893 15.369 1.00 0.00 C ATOM 106 CG GLN A 9 -28.215 -3.773 16.668 1.00 0.00 C ATOM 107 CD GLN A 9 -27.417 -2.994 17.709 1.00 0.00 C ATOM 108 OE1 GLN A 9 -26.621 -2.124 17.361 1.00 0.00 O ATOM 109 NE2 GLN A 9 -27.581 -3.259 18.979 1.00 0.00 N ATOM 0 H GLN A 9 -26.518 -4.363 13.132 1.00 0.00 H new ATOM 0 HA GLN A 9 -28.184 -5.844 14.865 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -26.404 -4.253 15.585 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -27.305 -2.913 14.903 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.162 -3.270 16.473 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -28.454 -4.766 17.050 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -28.241 -3.981 19.268 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -27.049 -2.744 19.680 1.00 0.00 H new ATOM 118 N LEU A 10 -29.626 -3.226 13.419 1.00 0.00 N ATOM 119 CA LEU A 10 -30.929 -2.654 13.084 1.00 0.00 C ATOM 120 C LEU A 10 -31.710 -3.597 12.187 1.00 0.00 C ATOM 121 O LEU A 10 -32.894 -3.840 12.402 1.00 0.00 O ATOM 122 CB LEU A 10 -30.741 -1.311 12.385 1.00 0.00 C ATOM 123 CG LEU A 10 -30.258 -0.262 13.397 1.00 0.00 C ATOM 124 CD1 LEU A 10 -29.809 0.995 12.646 1.00 0.00 C ATOM 125 CD2 LEU A 10 -31.397 0.096 14.381 1.00 0.00 C ATOM 0 H LEU A 10 -28.826 -2.704 13.061 1.00 0.00 H new ATOM 0 HA LEU A 10 -31.491 -2.505 14.006 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -30.017 -1.410 11.576 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -31.680 -0.990 11.935 1.00 0.00 H new ATOM 0 HG LEU A 10 -29.421 -0.670 13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -29.465 1.743 13.361 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -28.995 0.742 11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -30.646 1.397 12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -31.042 0.841 15.093 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -32.244 0.500 13.826 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -31.709 -0.800 14.918 1.00 0.00 H new ATOM 137 N GLN A 11 -31.030 -4.135 11.182 1.00 0.00 N ATOM 138 CA GLN A 11 -31.680 -5.058 10.260 1.00 0.00 C ATOM 139 C GLN A 11 -32.198 -6.281 11.010 1.00 0.00 C ATOM 140 O GLN A 11 -33.310 -6.746 10.760 1.00 0.00 O ATOM 141 CB GLN A 11 -30.694 -5.494 9.176 1.00 0.00 C ATOM 142 CG GLN A 11 -31.395 -6.420 8.176 1.00 0.00 C ATOM 143 CD GLN A 11 -30.430 -6.812 7.066 1.00 0.00 C ATOM 144 OE1 GLN A 11 -30.830 -6.774 5.824 1.00 0.00 O flip ATOM 145 NE2 GLN A 11 -29.283 -7.167 7.334 1.00 0.00 N flip ATOM 0 H GLN A 11 -30.046 -3.953 10.986 1.00 0.00 H new ATOM 0 HA GLN A 11 -32.523 -4.549 9.794 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -30.298 -4.620 8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -29.846 -6.008 9.629 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -31.757 -7.312 8.686 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -32.266 -5.919 7.752 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -28.972 -7.196 8.305 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -28.643 -7.432 6.585 1.00 0.00 H new ATOM 154 N GLN A 12 -31.386 -6.792 11.931 1.00 0.00 N ATOM 155 CA GLN A 12 -31.770 -7.964 12.709 1.00 0.00 C ATOM 156 C GLN A 12 -33.039 -7.683 13.506 1.00 0.00 C ATOM 157 O GLN A 12 -33.917 -8.540 13.614 1.00 0.00 O ATOM 158 CB GLN A 12 -30.638 -8.351 13.665 1.00 0.00 C ATOM 159 CG GLN A 12 -31.006 -9.642 14.401 1.00 0.00 C ATOM 160 CD GLN A 12 -29.855 -10.074 15.302 1.00 0.00 C ATOM 161 OE1 GLN A 12 -28.688 -9.900 14.949 1.00 0.00 O ATOM 162 NE2 GLN A 12 -30.115 -10.629 16.454 1.00 0.00 N ATOM 0 H GLN A 12 -30.465 -6.416 12.155 1.00 0.00 H new ATOM 0 HA GLN A 12 -31.961 -8.788 12.021 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -29.710 -8.489 13.109 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -30.464 -7.549 14.382 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -31.906 -9.487 14.996 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -31.231 -10.429 13.681 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -31.082 -10.772 16.744 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -29.351 -10.920 17.064 1.00 0.00 H new ATOM 171 N CYS A 13 -33.131 -6.480 14.058 1.00 0.00 N ATOM 172 CA CYS A 13 -34.302 -6.101 14.839 1.00 0.00 C ATOM 173 C CYS A 13 -35.556 -6.157 13.975 1.00 0.00 C ATOM 174 O CYS A 13 -36.608 -6.615 14.421 1.00 0.00 O ATOM 175 CB CYS A 13 -34.122 -4.686 15.393 1.00 0.00 C ATOM 176 SG CYS A 13 -32.848 -4.699 16.678 1.00 0.00 S ATOM 0 H CYS A 13 -32.417 -5.756 13.981 1.00 0.00 H new ATOM 0 HA CYS A 13 -34.411 -6.802 15.666 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -33.839 -4.004 14.592 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -35.064 -4.322 15.803 1.00 0.00 H new ATOM 0 HG CYS A 13 -31.676 -4.802 16.126 1.00 0.00 H new ATOM 182 N CYS A 14 -35.439 -5.696 12.734 1.00 0.00 N ATOM 183 CA CYS A 14 -36.580 -5.708 11.821 1.00 0.00 C ATOM 184 C CYS A 14 -37.089 -7.135 11.618 1.00 0.00 C ATOM 185 O CYS A 14 -38.282 -7.402 11.754 1.00 0.00 O ATOM 186 CB CYS A 14 -36.169 -5.109 10.472 1.00 0.00 C ATOM 187 SG CYS A 14 -37.577 -5.145 9.335 1.00 0.00 S ATOM 0 H CYS A 14 -34.579 -5.314 12.340 1.00 0.00 H new ATOM 0 HA CYS A 14 -37.381 -5.110 12.256 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -35.825 -4.084 10.608 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -35.335 -5.672 10.052 1.00 0.00 H new ATOM 0 HG CYS A 14 -37.146 -5.259 8.114 1.00 0.00 H new ATOM 193 N LEU A 15 -36.176 -8.048 11.303 1.00 0.00 N ATOM 194 CA LEU A 15 -36.542 -9.448 11.094 1.00 0.00 C ATOM 195 C LEU A 15 -37.071 -10.055 12.387 1.00 0.00 C ATOM 196 O LEU A 15 -38.010 -10.851 12.376 1.00 0.00 O ATOM 197 CB LEU A 15 -35.332 -10.247 10.599 1.00 0.00 C ATOM 198 CG LEU A 15 -35.058 -9.941 9.112 1.00 0.00 C ATOM 199 CD1 LEU A 15 -34.265 -8.639 8.977 1.00 0.00 C ATOM 200 CD2 LEU A 15 -34.247 -11.084 8.500 1.00 0.00 C ATOM 0 H LEU A 15 -35.183 -7.847 11.187 1.00 0.00 H new ATOM 0 HA LEU A 15 -37.326 -9.490 10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -34.455 -9.998 11.196 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -35.514 -11.314 10.730 1.00 0.00 H new ATOM 0 HG LEU A 15 -36.010 -9.837 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -34.078 -8.434 7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -34.837 -7.818 9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -33.315 -8.736 9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -34.052 -10.870 7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -33.301 -11.184 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -34.809 -12.014 8.583 1.00 0.00 H new ATOM 212 N THR A 16 -36.456 -9.676 13.497 1.00 0.00 N ATOM 213 CA THR A 16 -36.856 -10.186 14.799 1.00 0.00 C ATOM 214 C THR A 16 -38.206 -9.614 15.201 1.00 0.00 C ATOM 215 O THR A 16 -38.929 -10.207 16.004 1.00 0.00 O ATOM 216 CB THR A 16 -35.808 -9.824 15.852 1.00 0.00 C ATOM 217 OG1 THR A 16 -34.552 -10.369 15.471 1.00 0.00 O ATOM 218 CG2 THR A 16 -36.225 -10.399 17.207 1.00 0.00 C ATOM 0 H THR A 16 -35.678 -9.017 13.522 1.00 0.00 H new ATOM 0 HA THR A 16 -36.938 -11.271 14.734 1.00 0.00 H new ATOM 0 HB THR A 16 -35.727 -8.740 15.929 1.00 0.00 H new ATOM 0 HG1 THR A 16 -34.096 -9.748 14.866 1.00 0.00 H new ATOM 0 HG21 THR A 16 -35.478 -10.141 17.957 1.00 0.00 H new ATOM 0 HG22 THR A 16 -37.190 -9.983 17.497 1.00 0.00 H new ATOM 0 HG23 THR A 16 -36.305 -11.484 17.133 1.00 0.00 H new ATOM 226 N LEU A 17 -38.542 -8.459 14.649 1.00 0.00 N ATOM 227 CA LEU A 17 -39.807 -7.825 14.970 1.00 0.00 C ATOM 228 C LEU A 17 -40.961 -8.582 14.327 1.00 0.00 C ATOM 229 O LEU A 17 -41.021 -8.731 13.107 1.00 0.00 O ATOM 230 CB LEU A 17 -39.806 -6.380 14.466 1.00 0.00 C ATOM 231 CG LEU A 17 -41.138 -5.674 14.852 1.00 0.00 C ATOM 232 CD1 LEU A 17 -40.858 -4.253 15.349 1.00 0.00 C ATOM 233 CD2 LEU A 17 -42.071 -5.604 13.629 1.00 0.00 C ATOM 0 H LEU A 17 -37.962 -7.947 13.984 1.00 0.00 H new ATOM 0 HA LEU A 17 -39.934 -7.836 16.052 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.962 -5.839 14.894 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -39.679 -6.365 13.384 1.00 0.00 H new ATOM 0 HG LEU A 17 -41.616 -6.248 15.645 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -41.798 -3.769 15.616 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.210 -4.295 16.224 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -40.367 -3.682 14.561 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -43.001 -5.108 13.909 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -41.585 -5.041 12.832 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -42.289 -6.613 13.279 1.00 0.00 H new ATOM 245 N ARG A 18 -41.879 -9.058 15.161 1.00 0.00 N ATOM 246 CA ARG A 18 -43.031 -9.801 14.669 1.00 0.00 C ATOM 247 C ARG A 18 -43.965 -8.890 13.886 1.00 0.00 C ATOM 248 O ARG A 18 -44.138 -7.717 14.225 1.00 0.00 O ATOM 249 CB ARG A 18 -43.789 -10.427 15.843 1.00 0.00 C ATOM 250 CG ARG A 18 -44.211 -9.333 16.825 1.00 0.00 C ATOM 251 CD ARG A 18 -44.981 -9.958 17.988 1.00 0.00 C ATOM 252 NE ARG A 18 -46.260 -10.484 17.526 1.00 0.00 N ATOM 253 CZ ARG A 18 -47.061 -11.157 18.343 1.00 0.00 C ATOM 254 NH1 ARG A 18 -48.202 -11.616 17.908 1.00 0.00 N ATOM 255 NH2 ARG A 18 -46.709 -11.362 19.584 1.00 0.00 N ATOM 0 H ARG A 18 -41.848 -8.943 16.174 1.00 0.00 H new ATOM 0 HA ARG A 18 -42.673 -10.588 14.005 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -44.667 -10.961 15.479 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -43.158 -11.159 16.348 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -43.333 -8.807 17.198 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -44.833 -8.595 16.318 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -44.391 -10.759 18.435 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -45.147 -9.212 18.765 1.00 0.00 H new ATOM 0 HE ARG A 18 -46.544 -10.332 16.558 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -48.479 -11.458 16.939 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -48.817 -12.133 18.537 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -45.817 -11.005 19.927 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -47.326 -11.879 20.210 1.00 0.00 H new ATOM 269 N THR A 19 -44.573 -9.439 12.838 1.00 0.00 N ATOM 270 CA THR A 19 -45.499 -8.674 12.007 1.00 0.00 C ATOM 271 C THR A 19 -46.935 -8.976 12.413 1.00 0.00 C ATOM 272 O THR A 19 -47.339 -10.136 12.496 1.00 0.00 O ATOM 273 CB THR A 19 -45.294 -9.027 10.533 1.00 0.00 C ATOM 274 OG1 THR A 19 -43.962 -8.705 10.155 1.00 0.00 O ATOM 275 CG2 THR A 19 -46.276 -8.227 9.677 1.00 0.00 C ATOM 0 H THR A 19 -44.442 -10.407 12.544 1.00 0.00 H new ATOM 0 HA THR A 19 -45.304 -7.611 12.150 1.00 0.00 H new ATOM 0 HB THR A 19 -45.469 -10.092 10.383 1.00 0.00 H new ATOM 0 HG1 THR A 19 -43.826 -8.931 9.211 1.00 0.00 H new ATOM 0 HG21 THR A 19 -46.131 -8.478 8.626 1.00 0.00 H new ATOM 0 HG22 THR A 19 -47.297 -8.471 9.971 1.00 0.00 H new ATOM 0 HG23 THR A 19 -46.101 -7.161 9.823 1.00 0.00 H new ATOM 283 N GLU A 20 -47.702 -7.927 12.674 1.00 0.00 N ATOM 284 CA GLU A 20 -49.089 -8.102 13.079 1.00 0.00 C ATOM 285 C GLU A 20 -49.925 -8.660 11.931 1.00 0.00 C ATOM 286 O GLU A 20 -49.951 -8.095 10.836 1.00 0.00 O ATOM 287 CB GLU A 20 -49.674 -6.758 13.521 1.00 0.00 C ATOM 288 CG GLU A 20 -51.054 -6.972 14.156 1.00 0.00 C ATOM 289 CD GLU A 20 -52.109 -7.187 13.074 1.00 0.00 C ATOM 290 OE1 GLU A 20 -51.934 -6.657 11.987 1.00 0.00 O ATOM 291 OE2 GLU A 20 -53.074 -7.882 13.344 1.00 0.00 O ATOM 0 H GLU A 20 -47.392 -6.957 12.614 1.00 0.00 H new ATOM 0 HA GLU A 20 -49.115 -8.809 13.908 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -49.006 -6.278 14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -49.758 -6.089 12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -51.025 -7.835 14.822 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -51.319 -6.108 14.765 1.00 0.00 H new ATOM 298 N GLY A 21 -50.614 -9.767 12.193 1.00 0.00 N ATOM 299 CA GLY A 21 -51.460 -10.399 11.183 1.00 0.00 C ATOM 300 C GLY A 21 -50.687 -11.450 10.397 1.00 0.00 C ATOM 301 O GLY A 21 -51.271 -12.218 9.632 1.00 0.00 O ATOM 0 H GLY A 21 -50.604 -10.245 13.094 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -52.322 -10.862 11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -51.845 -9.641 10.501 1.00 0.00 H new ATOM 305 N LYS A 22 -49.368 -11.482 10.586 1.00 0.00 N ATOM 306 CA LYS A 22 -48.516 -12.443 9.884 1.00 0.00 C ATOM 307 C LYS A 22 -47.475 -13.034 10.820 1.00 0.00 C ATOM 308 O LYS A 22 -46.971 -12.358 11.718 1.00 0.00 O ATOM 309 CB LYS A 22 -47.808 -11.756 8.715 1.00 0.00 C ATOM 310 CG LYS A 22 -48.833 -11.268 7.680 1.00 0.00 C ATOM 311 CD LYS A 22 -49.478 -12.468 6.967 1.00 0.00 C ATOM 312 CE LYS A 22 -50.110 -12.009 5.657 1.00 0.00 C ATOM 313 NZ LYS A 22 -51.170 -11.007 5.946 1.00 0.00 N ATOM 0 H LYS A 22 -48.867 -10.856 11.217 1.00 0.00 H new ATOM 0 HA LYS A 22 -49.151 -13.247 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -47.222 -10.913 9.081 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -47.110 -12.450 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -49.601 -10.671 8.171 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -48.345 -10.621 6.951 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -48.727 -13.233 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -50.235 -12.920 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -49.351 -11.575 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -50.534 -12.861 5.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -51.757 -10.869 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -51.765 -11.347 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -50.730 -10.103 6.213 1.00 0.00 H new ATOM 327 N GLU A 23 -47.169 -14.308 10.604 1.00 0.00 N ATOM 328 CA GLU A 23 -46.193 -14.995 11.433 1.00 0.00 C ATOM 329 C GLU A 23 -44.788 -14.472 11.153 1.00 0.00 C ATOM 330 O GLU A 23 -44.495 -14.035 10.039 1.00 0.00 O ATOM 331 CB GLU A 23 -46.247 -16.503 11.175 1.00 0.00 C ATOM 332 CG GLU A 23 -47.524 -17.079 11.784 1.00 0.00 C ATOM 333 CD GLU A 23 -47.602 -18.575 11.509 1.00 0.00 C ATOM 334 OE1 GLU A 23 -46.749 -19.070 10.790 1.00 0.00 O ATOM 335 OE2 GLU A 23 -48.510 -19.205 12.024 1.00 0.00 O ATOM 0 H GLU A 23 -47.581 -14.880 9.867 1.00 0.00 H new ATOM 0 HA GLU A 23 -46.436 -14.803 12.478 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -46.221 -16.700 10.103 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -45.373 -16.989 11.610 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -47.539 -16.897 12.859 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -48.396 -16.577 11.364 1.00 0.00 H new ATOM 342 N PRO A 24 -43.914 -14.518 12.129 1.00 0.00 N ATOM 343 CA PRO A 24 -42.506 -14.043 11.966 1.00 0.00 C ATOM 344 C PRO A 24 -41.723 -14.912 10.979 1.00 0.00 C ATOM 345 O PRO A 24 -41.849 -16.137 10.976 1.00 0.00 O ATOM 346 CB PRO A 24 -41.923 -14.151 13.392 1.00 0.00 C ATOM 347 CG PRO A 24 -42.774 -15.168 14.082 1.00 0.00 C ATOM 348 CD PRO A 24 -44.170 -15.008 13.495 1.00 0.00 C ATOM 0 HA PRO A 24 -42.450 -13.034 11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -40.878 -14.461 13.369 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -41.959 -13.191 13.907 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -42.393 -16.175 13.915 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -42.782 -15.005 15.160 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -44.713 -15.953 13.487 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -44.769 -14.301 14.070 1.00 0.00 H new ATOM 356 N ASP A 25 -40.916 -14.264 10.146 1.00 0.00 N ATOM 357 CA ASP A 25 -40.114 -14.976 9.155 1.00 0.00 C ATOM 358 C ASP A 25 -38.839 -15.503 9.785 1.00 0.00 C ATOM 359 O ASP A 25 -38.396 -15.008 10.824 1.00 0.00 O ATOM 360 CB ASP A 25 -39.770 -14.046 7.995 1.00 0.00 C ATOM 361 CG ASP A 25 -41.045 -13.431 7.432 1.00 0.00 C ATOM 362 OD1 ASP A 25 -41.423 -12.370 7.898 1.00 0.00 O ATOM 363 OD2 ASP A 25 -41.626 -14.031 6.543 1.00 0.00 O ATOM 0 H ASP A 25 -40.799 -13.251 10.136 1.00 0.00 H new ATOM 0 HA ASP A 25 -40.695 -15.818 8.780 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -39.095 -13.260 8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -39.247 -14.600 7.215 1.00 0.00 H new ATOM 368 N ILE A 26 -38.247 -16.517 9.158 1.00 0.00 N ATOM 369 CA ILE A 26 -37.017 -17.103 9.685 1.00 0.00 C ATOM 370 C ILE A 26 -35.785 -16.413 9.080 1.00 0.00 C ATOM 371 O ILE A 26 -35.585 -16.455 7.865 1.00 0.00 O ATOM 372 CB ILE A 26 -36.966 -18.594 9.364 1.00 0.00 C ATOM 373 CG1 ILE A 26 -38.142 -19.281 10.056 1.00 0.00 C ATOM 374 CG2 ILE A 26 -35.650 -19.181 9.892 1.00 0.00 C ATOM 375 CD1 ILE A 26 -38.283 -20.706 9.533 1.00 0.00 C ATOM 0 H ILE A 26 -38.592 -16.944 8.298 1.00 0.00 H new ATOM 0 HA ILE A 26 -37.010 -16.961 10.766 1.00 0.00 H new ATOM 0 HB ILE A 26 -37.024 -18.749 8.287 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -37.986 -19.293 11.135 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -39.061 -18.723 9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -35.610 -20.246 9.665 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -34.809 -18.676 9.416 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -35.595 -19.038 10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -39.123 -21.194 10.028 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -38.459 -20.683 8.458 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -37.368 -21.261 9.739 1.00 0.00 H new ATOM 387 N PRO A 27 -34.963 -15.777 9.884 1.00 0.00 N ATOM 388 CA PRO A 27 -33.744 -15.075 9.386 1.00 0.00 C ATOM 389 C PRO A 27 -32.632 -16.050 9.011 1.00 0.00 C ATOM 390 O PRO A 27 -32.283 -16.936 9.789 1.00 0.00 O ATOM 391 CB PRO A 27 -33.329 -14.190 10.576 1.00 0.00 C ATOM 392 CG PRO A 27 -33.856 -14.889 11.791 1.00 0.00 C ATOM 393 CD PRO A 27 -35.098 -15.658 11.349 1.00 0.00 C ATOM 0 HA PRO A 27 -33.936 -14.509 8.475 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -32.246 -14.079 10.625 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -33.748 -13.188 10.486 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -33.108 -15.566 12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -34.103 -14.172 12.574 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -35.146 -16.638 11.823 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -36.010 -15.127 11.621 1.00 0.00 H new ATOM 401 N LEU A 28 -32.073 -15.875 7.819 1.00 0.00 N ATOM 402 CA LEU A 28 -30.991 -16.737 7.354 1.00 0.00 C ATOM 403 C LEU A 28 -29.951 -15.921 6.607 1.00 0.00 C ATOM 404 O LEU A 28 -30.293 -15.053 5.802 1.00 0.00 O ATOM 405 CB LEU A 28 -31.556 -17.813 6.430 1.00 0.00 C ATOM 406 CG LEU A 28 -32.301 -17.151 5.231 1.00 0.00 C ATOM 407 CD1 LEU A 28 -31.516 -17.376 3.935 1.00 0.00 C ATOM 408 CD2 LEU A 28 -33.704 -17.757 5.088 1.00 0.00 C ATOM 0 H LEU A 28 -32.349 -15.148 7.159 1.00 0.00 H new ATOM 0 HA LEU A 28 -30.518 -17.206 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -30.750 -18.447 6.062 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -32.240 -18.456 6.983 1.00 0.00 H new ATOM 0 HG LEU A 28 -32.385 -16.081 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -32.045 -16.910 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -30.525 -16.933 4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -31.419 -18.446 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -34.218 -17.290 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -33.621 -18.829 4.911 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -34.270 -17.583 6.003 1.00 0.00 H new ATOM 420 N TYR A 29 -28.679 -16.205 6.869 1.00 0.00 N ATOM 421 CA TYR A 29 -27.583 -15.493 6.211 1.00 0.00 C ATOM 422 C TYR A 29 -26.836 -16.423 5.269 1.00 0.00 C ATOM 423 O TYR A 29 -26.083 -17.294 5.702 1.00 0.00 O ATOM 424 CB TYR A 29 -26.621 -14.946 7.268 1.00 0.00 C ATOM 425 CG TYR A 29 -26.235 -16.049 8.225 1.00 0.00 C ATOM 426 CD1 TYR A 29 -25.055 -16.774 8.025 1.00 0.00 C ATOM 427 CD2 TYR A 29 -27.067 -16.352 9.310 1.00 0.00 C ATOM 428 CE1 TYR A 29 -24.702 -17.798 8.913 1.00 0.00 C ATOM 429 CE2 TYR A 29 -26.715 -17.376 10.199 1.00 0.00 C ATOM 430 CZ TYR A 29 -25.533 -18.098 9.999 1.00 0.00 C ATOM 431 OH TYR A 29 -25.185 -19.107 10.874 1.00 0.00 O ATOM 0 H TYR A 29 -28.380 -16.921 7.531 1.00 0.00 H new ATOM 0 HA TYR A 29 -27.996 -14.668 5.631 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -25.731 -14.540 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -27.091 -14.127 7.812 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -24.416 -16.544 7.185 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -27.980 -15.796 9.461 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -23.790 -18.356 8.760 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -27.355 -17.608 11.038 1.00 0.00 H new ATOM 0 HH TYR A 29 -25.869 -19.185 11.572 1.00 0.00 H new ATOM 441 N LYS A 30 -27.049 -16.235 3.971 1.00 0.00 N ATOM 442 CA LYS A 30 -26.391 -17.066 2.959 1.00 0.00 C ATOM 443 C LYS A 30 -25.884 -16.213 1.812 1.00 0.00 C ATOM 444 O LYS A 30 -26.438 -15.151 1.520 1.00 0.00 O ATOM 445 CB LYS A 30 -27.368 -18.119 2.424 1.00 0.00 C ATOM 446 CG LYS A 30 -27.635 -19.192 3.494 1.00 0.00 C ATOM 447 CD LYS A 30 -26.530 -20.256 3.459 1.00 0.00 C ATOM 448 CE LYS A 30 -26.831 -21.337 4.492 1.00 0.00 C ATOM 449 NZ LYS A 30 -26.714 -20.757 5.859 1.00 0.00 N ATOM 0 H LYS A 30 -27.669 -15.519 3.592 1.00 0.00 H new ATOM 0 HA LYS A 30 -25.543 -17.565 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -28.305 -17.642 2.135 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -26.957 -18.584 1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -27.676 -18.731 4.481 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -28.605 -19.658 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.466 -20.697 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.563 -19.798 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.834 -21.735 4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.137 -22.170 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.631 -21.525 6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.870 -20.152 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.560 -20.189 6.069 1.00 0.00 H new ATOM 463 N THR A 31 -24.819 -16.680 1.164 1.00 0.00 N ATOM 464 CA THR A 31 -24.231 -15.950 0.042 1.00 0.00 C ATOM 465 C THR A 31 -24.549 -16.653 -1.265 1.00 0.00 C ATOM 466 O THR A 31 -24.673 -17.877 -1.310 1.00 0.00 O ATOM 467 CB THR A 31 -22.713 -15.859 0.213 1.00 0.00 C ATOM 468 OG1 THR A 31 -22.162 -17.167 0.242 1.00 0.00 O ATOM 469 CG2 THR A 31 -22.390 -15.132 1.517 1.00 0.00 C ATOM 0 H THR A 31 -24.348 -17.555 1.394 1.00 0.00 H new ATOM 0 HA THR A 31 -24.654 -14.946 0.022 1.00 0.00 H new ATOM 0 HB THR A 31 -22.283 -15.306 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 31 -21.190 -17.110 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 31 -21.309 -15.067 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 31 -22.813 -14.128 1.488 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.817 -15.682 2.356 1.00 0.00 H new ATOM 477 N LEU A 32 -24.690 -15.870 -2.332 1.00 0.00 N ATOM 478 CA LEU A 32 -25.009 -16.431 -3.649 1.00 0.00 C ATOM 479 C LEU A 32 -23.750 -16.538 -4.500 1.00 0.00 C ATOM 480 O LEU A 32 -23.117 -17.590 -4.565 1.00 0.00 O ATOM 481 CB LEU A 32 -26.051 -15.544 -4.355 1.00 0.00 C ATOM 482 CG LEU A 32 -27.463 -15.978 -3.949 1.00 0.00 C ATOM 483 CD1 LEU A 32 -27.610 -15.873 -2.428 1.00 0.00 C ATOM 484 CD2 LEU A 32 -28.488 -15.072 -4.629 1.00 0.00 C ATOM 0 H LEU A 32 -24.590 -14.855 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 32 -25.422 -17.431 -3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -25.892 -14.499 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -25.934 -15.620 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 32 -27.632 -17.010 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -28.614 -16.181 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -26.878 -16.521 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -27.443 -14.842 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -29.493 -15.380 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -28.322 -14.040 -4.321 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -28.381 -15.149 -5.711 1.00 0.00 H new ATOM 496 N GLN A 33 -23.395 -15.436 -5.152 1.00 0.00 N ATOM 497 CA GLN A 33 -22.209 -15.409 -6.000 1.00 0.00 C ATOM 498 C GLN A 33 -20.961 -15.140 -5.170 1.00 0.00 C ATOM 499 O GLN A 33 -20.997 -14.374 -4.200 1.00 0.00 O ATOM 500 CB GLN A 33 -22.349 -14.331 -7.075 1.00 0.00 C ATOM 501 CG GLN A 33 -23.440 -14.736 -8.069 1.00 0.00 C ATOM 502 CD GLN A 33 -23.722 -13.585 -9.030 1.00 0.00 C ATOM 503 OE1 GLN A 33 -23.558 -12.420 -8.670 1.00 0.00 O ATOM 504 NE2 GLN A 33 -24.142 -13.844 -10.239 1.00 0.00 N ATOM 0 H GLN A 33 -23.908 -14.555 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.113 -16.384 -6.478 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -22.599 -13.375 -6.615 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.401 -14.197 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -23.126 -15.618 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -24.350 -15.005 -7.533 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -24.277 -14.810 -10.536 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -24.335 -13.080 -10.887 1.00 0.00 H new ATOM 513 N THR A 34 -19.853 -15.770 -5.554 1.00 0.00 N ATOM 514 CA THR A 34 -18.589 -15.586 -4.842 1.00 0.00 C ATOM 515 C THR A 34 -17.468 -15.318 -5.837 1.00 0.00 C ATOM 516 O THR A 34 -17.291 -16.062 -6.802 1.00 0.00 O ATOM 517 CB THR A 34 -18.258 -16.841 -4.030 1.00 0.00 C ATOM 518 OG1 THR A 34 -17.866 -17.884 -4.912 1.00 0.00 O ATOM 519 CG2 THR A 34 -19.499 -17.278 -3.250 1.00 0.00 C ATOM 0 H THR A 34 -19.804 -16.408 -6.348 1.00 0.00 H new ATOM 0 HA THR A 34 -18.686 -14.735 -4.168 1.00 0.00 H new ATOM 0 HB THR A 34 -17.445 -16.625 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.948 -17.577 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 34 -19.268 -18.172 -2.670 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.806 -16.478 -2.577 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.308 -17.497 -3.947 1.00 0.00 H new ATOM 527 N VAL A 35 -16.711 -14.251 -5.595 1.00 0.00 N ATOM 528 CA VAL A 35 -15.603 -13.887 -6.477 1.00 0.00 C ATOM 529 C VAL A 35 -14.397 -13.453 -5.653 1.00 0.00 C ATOM 530 O VAL A 35 -14.531 -13.096 -4.481 1.00 0.00 O ATOM 531 CB VAL A 35 -16.029 -12.755 -7.413 1.00 0.00 C ATOM 532 CG1 VAL A 35 -17.227 -13.212 -8.249 1.00 0.00 C ATOM 533 CG2 VAL A 35 -16.419 -11.525 -6.588 1.00 0.00 C ATOM 0 H VAL A 35 -16.842 -13.625 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.329 -14.757 -7.073 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.201 -12.498 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.533 -12.407 -8.917 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -16.948 -14.086 -8.838 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -18.055 -13.469 -7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.722 -10.719 -7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.247 -11.778 -5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.565 -11.200 -5.993 1.00 0.00 H new ATOM 543 N GLY A 36 -13.221 -13.493 -6.269 1.00 0.00 N ATOM 544 CA GLY A 36 -11.989 -13.104 -5.585 1.00 0.00 C ATOM 545 C GLY A 36 -11.003 -12.479 -6.564 1.00 0.00 C ATOM 546 O GLY A 36 -9.927 -13.026 -6.809 1.00 0.00 O ATOM 0 H GLY A 36 -13.093 -13.789 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.217 -12.395 -4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.537 -13.977 -5.114 1.00 0.00 H new ATOM 550 N PRO A 37 -11.354 -11.352 -7.130 1.00 0.00 N ATOM 551 CA PRO A 37 -10.487 -10.633 -8.109 1.00 0.00 C ATOM 552 C PRO A 37 -9.310 -9.949 -7.424 1.00 0.00 C ATOM 553 O PRO A 37 -9.361 -9.663 -6.230 1.00 0.00 O ATOM 554 CB PRO A 37 -11.443 -9.608 -8.743 1.00 0.00 C ATOM 555 CG PRO A 37 -12.459 -9.330 -7.683 1.00 0.00 C ATOM 556 CD PRO A 37 -12.619 -10.634 -6.891 1.00 0.00 C ATOM 0 HA PRO A 37 -10.033 -11.301 -8.841 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.914 -8.700 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.910 -10.006 -9.644 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.132 -8.518 -7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.408 -9.023 -8.124 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.774 -10.440 -5.830 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -13.477 -11.210 -7.238 1.00 0.00 H new ATOM 564 N SER A 38 -8.253 -9.697 -8.191 1.00 0.00 N ATOM 565 CA SER A 38 -7.062 -9.047 -7.653 1.00 0.00 C ATOM 566 C SER A 38 -6.247 -10.032 -6.822 1.00 0.00 C ATOM 567 O SER A 38 -5.190 -10.496 -7.252 1.00 0.00 O ATOM 568 CB SER A 38 -7.461 -7.835 -6.796 1.00 0.00 C ATOM 569 OG SER A 38 -8.616 -7.226 -7.358 1.00 0.00 O ATOM 0 H SER A 38 -8.197 -9.932 -9.182 1.00 0.00 H new ATOM 0 HA SER A 38 -6.448 -8.703 -8.486 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.663 -8.149 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.641 -7.118 -6.754 1.00 0.00 H new ATOM 0 HG SER A 38 -8.876 -6.453 -6.814 1.00 0.00 H new ATOM 575 N HIS A 39 -6.750 -10.348 -5.635 1.00 0.00 N ATOM 576 CA HIS A 39 -6.068 -11.278 -4.744 1.00 0.00 C ATOM 577 C HIS A 39 -6.926 -11.573 -3.517 1.00 0.00 C ATOM 578 O HIS A 39 -6.938 -12.695 -3.012 1.00 0.00 O ATOM 579 CB HIS A 39 -4.726 -10.692 -4.302 1.00 0.00 C ATOM 580 CG HIS A 39 -4.011 -11.685 -3.430 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.124 -11.672 -2.048 1.00 0.00 N ATOM 582 CD2 HIS A 39 -3.170 -12.729 -3.727 1.00 0.00 C ATOM 583 CE1 HIS A 39 -3.369 -12.678 -1.570 1.00 0.00 C ATOM 584 NE2 HIS A 39 -2.766 -13.354 -2.551 1.00 0.00 N ATOM 0 H HIS A 39 -7.625 -9.975 -5.268 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.896 -12.208 -5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -4.117 -10.452 -5.173 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -4.885 -9.761 -3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.868 -13.021 -4.722 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -3.264 -12.910 -0.521 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.143 -14.156 -2.458 1.00 0.00 H new ATOM 592 N ALA A 40 -7.640 -10.556 -3.040 1.00 0.00 N ATOM 593 CA ALA A 40 -8.493 -10.722 -1.867 1.00 0.00 C ATOM 594 C ALA A 40 -9.808 -11.387 -2.251 1.00 0.00 C ATOM 595 O ALA A 40 -10.417 -11.043 -3.264 1.00 0.00 O ATOM 596 CB ALA A 40 -8.778 -9.359 -1.235 1.00 0.00 C ATOM 0 H ALA A 40 -7.645 -9.619 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.973 -11.357 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.415 -9.490 -0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.839 -8.894 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.283 -8.720 -1.960 1.00 0.00 H new ATOM 602 N ARG A 41 -10.243 -12.342 -1.436 1.00 0.00 N ATOM 603 CA ARG A 41 -11.488 -13.050 -1.702 1.00 0.00 C ATOM 604 C ARG A 41 -12.671 -12.212 -1.236 1.00 0.00 C ATOM 605 O ARG A 41 -12.621 -11.586 -0.176 1.00 0.00 O ATOM 606 CB ARG A 41 -11.490 -14.404 -0.978 1.00 0.00 C ATOM 607 CG ARG A 41 -10.674 -15.420 -1.784 1.00 0.00 C ATOM 608 CD ARG A 41 -9.219 -14.951 -1.867 1.00 0.00 C ATOM 609 NE ARG A 41 -8.365 -16.044 -2.310 1.00 0.00 N ATOM 610 CZ ARG A 41 -7.925 -16.958 -1.454 1.00 0.00 C ATOM 611 NH1 ARG A 41 -7.156 -17.925 -1.871 1.00 0.00 N ATOM 612 NH2 ARG A 41 -8.263 -16.888 -0.195 1.00 0.00 N ATOM 0 H ARG A 41 -9.755 -12.641 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.573 -13.223 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.068 -14.294 0.021 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.513 -14.760 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.725 -16.401 -1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.091 -15.526 -2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.138 -14.113 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.888 -14.593 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.101 -16.108 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.893 -17.979 -2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.818 -18.627 -1.213 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.865 -16.131 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.925 -17.590 0.463 1.00 0.00 H new ATOM 626 N THR A 42 -13.734 -12.202 -2.036 1.00 0.00 N ATOM 627 CA THR A 42 -14.933 -11.440 -1.705 1.00 0.00 C ATOM 628 C THR A 42 -16.175 -12.306 -1.865 1.00 0.00 C ATOM 629 O THR A 42 -16.205 -13.226 -2.682 1.00 0.00 O ATOM 630 CB THR A 42 -15.038 -10.218 -2.618 1.00 0.00 C ATOM 631 OG1 THR A 42 -15.141 -10.648 -3.966 1.00 0.00 O ATOM 632 CG2 THR A 42 -13.790 -9.349 -2.450 1.00 0.00 C ATOM 0 H THR A 42 -13.789 -12.713 -2.917 1.00 0.00 H new ATOM 0 HA THR A 42 -14.863 -11.114 -0.667 1.00 0.00 H new ATOM 0 HB THR A 42 -15.921 -9.637 -2.353 1.00 0.00 H new ATOM 0 HG1 THR A 42 -15.263 -11.620 -3.991 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.863 -8.477 -3.100 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.711 -9.022 -1.413 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.905 -9.927 -2.717 1.00 0.00 H new ATOM 640 N TYR A 43 -17.202 -12.009 -1.075 1.00 0.00 N ATOM 641 CA TYR A 43 -18.452 -12.770 -1.127 1.00 0.00 C ATOM 642 C TYR A 43 -19.645 -11.827 -1.175 1.00 0.00 C ATOM 643 O TYR A 43 -19.594 -10.725 -0.630 1.00 0.00 O ATOM 644 CB TYR A 43 -18.562 -13.669 0.103 1.00 0.00 C ATOM 645 CG TYR A 43 -17.426 -14.662 0.099 1.00 0.00 C ATOM 646 CD1 TYR A 43 -16.188 -14.316 0.653 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.612 -15.934 -0.456 1.00 0.00 C ATOM 648 CE1 TYR A 43 -15.137 -15.241 0.648 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.561 -16.858 -0.462 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.323 -16.512 0.091 1.00 0.00 C ATOM 651 OH TYR A 43 -14.286 -17.421 0.086 1.00 0.00 O ATOM 0 H TYR A 43 -17.197 -11.251 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.449 -13.383 -2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.531 -13.067 1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.518 -14.193 0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -16.044 -13.336 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.568 -16.202 -0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.181 -14.974 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.705 -17.838 -0.893 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.583 -18.254 -0.337 1.00 0.00 H new ATOM 661 N THR A 44 -20.721 -12.267 -1.829 1.00 0.00 N ATOM 662 CA THR A 44 -21.933 -11.460 -1.943 1.00 0.00 C ATOM 663 C THR A 44 -23.047 -12.066 -1.104 1.00 0.00 C ATOM 664 O THR A 44 -23.338 -13.261 -1.207 1.00 0.00 O ATOM 665 CB THR A 44 -22.376 -11.387 -3.406 1.00 0.00 C ATOM 666 OG1 THR A 44 -21.344 -10.791 -4.181 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.647 -10.544 -3.510 1.00 0.00 C ATOM 0 H THR A 44 -20.776 -13.177 -2.287 1.00 0.00 H new ATOM 0 HA THR A 44 -21.719 -10.455 -1.580 1.00 0.00 H new ATOM 0 HB THR A 44 -22.576 -12.391 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.624 -10.745 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 44 -23.964 -10.491 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 44 -24.436 -11.001 -2.913 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.448 -9.538 -3.140 1.00 0.00 H new ATOM 675 N VAL A 45 -23.665 -11.233 -0.267 1.00 0.00 N ATOM 676 CA VAL A 45 -24.745 -11.682 0.610 1.00 0.00 C ATOM 677 C VAL A 45 -26.024 -10.904 0.331 1.00 0.00 C ATOM 678 O VAL A 45 -25.981 -9.742 -0.072 1.00 0.00 O ATOM 679 CB VAL A 45 -24.343 -11.486 2.073 1.00 0.00 C ATOM 680 CG1 VAL A 45 -24.211 -9.994 2.374 1.00 0.00 C ATOM 681 CG2 VAL A 45 -25.408 -12.102 2.978 1.00 0.00 C ATOM 0 H VAL A 45 -23.436 -10.243 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 45 -24.926 -12.739 0.416 1.00 0.00 H new ATOM 0 HB VAL A 45 -23.386 -11.974 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -23.925 -9.857 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.449 -9.559 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -25.166 -9.500 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -25.124 -11.963 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -26.366 -11.616 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -25.495 -13.167 2.764 1.00 0.00 H new ATOM 691 N ALA A 46 -27.160 -11.560 0.547 1.00 0.00 N ATOM 692 CA ALA A 46 -28.455 -10.929 0.318 1.00 0.00 C ATOM 693 C ALA A 46 -29.480 -11.449 1.316 1.00 0.00 C ATOM 694 O ALA A 46 -29.671 -12.658 1.453 1.00 0.00 O ATOM 695 CB ALA A 46 -28.932 -11.218 -1.108 1.00 0.00 C ATOM 0 H ALA A 46 -27.210 -12.523 0.879 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.346 -9.853 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -29.900 -10.743 -1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.209 -10.822 -1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.028 -12.295 -1.248 1.00 0.00 H new ATOM 701 N VAL A 47 -30.136 -10.527 2.012 1.00 0.00 N ATOM 702 CA VAL A 47 -31.146 -10.893 3.001 1.00 0.00 C ATOM 703 C VAL A 47 -32.510 -11.041 2.338 1.00 0.00 C ATOM 704 O VAL A 47 -32.941 -10.170 1.581 1.00 0.00 O ATOM 705 CB VAL A 47 -31.222 -9.830 4.096 1.00 0.00 C ATOM 706 CG1 VAL A 47 -32.291 -10.226 5.120 1.00 0.00 C ATOM 707 CG2 VAL A 47 -29.861 -9.722 4.792 1.00 0.00 C ATOM 0 H VAL A 47 -29.988 -9.523 1.911 1.00 0.00 H new ATOM 0 HA VAL A 47 -30.862 -11.847 3.446 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.483 -8.868 3.654 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -32.345 -9.468 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -33.258 -10.306 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -32.031 -11.187 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -29.911 -8.964 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -29.601 -10.684 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -29.101 -9.441 4.063 1.00 0.00 H new ATOM 717 N TYR A 48 -33.192 -12.147 2.628 1.00 0.00 N ATOM 718 CA TYR A 48 -34.514 -12.403 2.053 1.00 0.00 C ATOM 719 C TYR A 48 -35.596 -12.149 3.091 1.00 0.00 C ATOM 720 O TYR A 48 -35.447 -12.511 4.259 1.00 0.00 O ATOM 721 CB TYR A 48 -34.603 -13.852 1.570 1.00 0.00 C ATOM 722 CG TYR A 48 -33.712 -14.036 0.365 1.00 0.00 C ATOM 723 CD1 TYR A 48 -32.401 -14.500 0.526 1.00 0.00 C ATOM 724 CD2 TYR A 48 -34.199 -13.742 -0.914 1.00 0.00 C ATOM 725 CE1 TYR A 48 -31.577 -14.670 -0.594 1.00 0.00 C ATOM 726 CE2 TYR A 48 -33.375 -13.912 -2.033 1.00 0.00 C ATOM 727 CZ TYR A 48 -32.065 -14.376 -1.873 1.00 0.00 C ATOM 728 OH TYR A 48 -31.253 -14.545 -2.977 1.00 0.00 O ATOM 0 H TYR A 48 -32.855 -12.878 3.254 1.00 0.00 H new ATOM 0 HA TYR A 48 -34.662 -11.730 1.208 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -34.300 -14.531 2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -35.634 -14.099 1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -32.025 -14.727 1.513 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -35.210 -13.384 -1.038 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.565 -15.028 -0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -33.751 -13.685 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.746 -14.297 -3.787 1.00 0.00 H new ATOM 738 N PHE A 49 -36.684 -11.515 2.662 1.00 0.00 N ATOM 739 CA PHE A 49 -37.787 -11.205 3.567 1.00 0.00 C ATOM 740 C PHE A 49 -39.122 -11.331 2.842 1.00 0.00 C ATOM 741 O PHE A 49 -39.343 -10.694 1.813 1.00 0.00 O ATOM 742 CB PHE A 49 -37.626 -9.783 4.105 1.00 0.00 C ATOM 743 CG PHE A 49 -38.585 -9.571 5.253 1.00 0.00 C ATOM 744 CD1 PHE A 49 -38.395 -10.269 6.451 1.00 0.00 C ATOM 745 CD2 PHE A 49 -39.661 -8.682 5.125 1.00 0.00 C ATOM 746 CE1 PHE A 49 -39.277 -10.082 7.521 1.00 0.00 C ATOM 747 CE2 PHE A 49 -40.543 -8.493 6.196 1.00 0.00 C ATOM 748 CZ PHE A 49 -40.351 -9.193 7.395 1.00 0.00 C ATOM 0 H PHE A 49 -36.825 -11.208 1.700 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.770 -11.913 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.601 -9.622 4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -37.822 -9.059 3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -37.566 -10.954 6.550 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -39.810 -8.143 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -39.129 -10.623 8.444 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -41.372 -7.807 6.098 1.00 0.00 H new ATOM 0 HZ PHE A 49 -41.031 -9.047 8.221 1.00 0.00 H new ATOM 758 N LYS A 50 -40.007 -12.161 3.383 1.00 0.00 N ATOM 759 CA LYS A 50 -41.316 -12.370 2.775 1.00 0.00 C ATOM 760 C LYS A 50 -41.177 -12.794 1.319 1.00 0.00 C ATOM 761 O LYS A 50 -42.052 -12.522 0.496 1.00 0.00 O ATOM 762 CB LYS A 50 -42.142 -11.083 2.859 1.00 0.00 C ATOM 763 CG LYS A 50 -42.546 -10.826 4.312 1.00 0.00 C ATOM 764 CD LYS A 50 -43.305 -9.501 4.405 1.00 0.00 C ATOM 765 CE LYS A 50 -43.796 -9.292 5.838 1.00 0.00 C ATOM 766 NZ LYS A 50 -44.891 -10.261 6.130 1.00 0.00 N ATOM 0 H LYS A 50 -39.844 -12.697 4.235 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.823 -13.165 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.563 -10.242 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -43.031 -11.168 2.233 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -43.171 -11.641 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -41.660 -10.795 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -42.656 -8.677 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -44.150 -9.505 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -42.974 -9.432 6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -44.155 -8.271 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -45.438 -9.930 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -45.518 -10.336 5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -44.482 -11.194 6.340 1.00 0.00 H new ATOM 780 N GLY A 51 -40.078 -13.472 1.007 1.00 0.00 N ATOM 781 CA GLY A 51 -39.847 -13.940 -0.353 1.00 0.00 C ATOM 782 C GLY A 51 -39.291 -12.825 -1.233 1.00 0.00 C ATOM 783 O GLY A 51 -39.185 -12.979 -2.449 1.00 0.00 O ATOM 0 H GLY A 51 -39.340 -13.708 1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -39.150 -14.778 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.781 -14.310 -0.777 1.00 0.00 H new ATOM 787 N GLU A 52 -38.944 -11.698 -0.612 1.00 0.00 N ATOM 788 CA GLU A 52 -38.403 -10.551 -1.347 1.00 0.00 C ATOM 789 C GLU A 52 -37.153 -10.017 -0.654 1.00 0.00 C ATOM 790 O GLU A 52 -37.121 -9.873 0.568 1.00 0.00 O ATOM 791 CB GLU A 52 -39.458 -9.446 -1.426 1.00 0.00 C ATOM 792 CG GLU A 52 -40.690 -9.965 -2.173 1.00 0.00 C ATOM 793 CD GLU A 52 -40.334 -10.250 -3.629 1.00 0.00 C ATOM 794 OE1 GLU A 52 -39.394 -9.645 -4.117 1.00 0.00 O ATOM 795 OE2 GLU A 52 -41.001 -11.074 -4.231 1.00 0.00 O ATOM 0 H GLU A 52 -39.027 -11.553 0.394 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.136 -10.874 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -39.737 -9.124 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.049 -8.575 -1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -41.060 -10.873 -1.696 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -41.493 -9.229 -2.123 1.00 0.00 H new ATOM 802 N ARG A 53 -36.126 -9.725 -1.445 1.00 0.00 N ATOM 803 CA ARG A 53 -34.878 -9.208 -0.914 1.00 0.00 C ATOM 804 C ARG A 53 -35.072 -7.795 -0.405 1.00 0.00 C ATOM 805 O ARG A 53 -35.854 -7.030 -0.971 1.00 0.00 O ATOM 806 CB ARG A 53 -33.800 -9.229 -1.997 1.00 0.00 C ATOM 807 CG ARG A 53 -34.200 -8.291 -3.136 1.00 0.00 C ATOM 808 CD ARG A 53 -33.237 -8.475 -4.308 1.00 0.00 C ATOM 809 NE ARG A 53 -33.331 -9.835 -4.826 1.00 0.00 N ATOM 810 CZ ARG A 53 -34.329 -10.202 -5.623 1.00 0.00 C ATOM 811 NH1 ARG A 53 -34.388 -11.426 -6.073 1.00 0.00 N ATOM 812 NH2 ARG A 53 -35.251 -9.339 -5.952 1.00 0.00 N ATOM 0 H ARG A 53 -36.137 -9.839 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.561 -9.840 -0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -32.842 -8.920 -1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -33.670 -10.243 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -35.221 -8.502 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -34.180 -7.256 -2.794 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -33.471 -7.760 -5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -32.216 -8.270 -3.985 1.00 0.00 H new ATOM 0 HE ARG A 53 -32.617 -10.518 -4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -33.668 -12.100 -5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -35.154 -11.708 -6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -35.205 -8.384 -5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -36.017 -9.620 -6.564 1.00 0.00 H new ATOM 826 N ILE A 54 -34.355 -7.446 0.659 1.00 0.00 N ATOM 827 CA ILE A 54 -34.450 -6.107 1.234 1.00 0.00 C ATOM 828 C ILE A 54 -33.130 -5.358 1.071 1.00 0.00 C ATOM 829 O ILE A 54 -33.094 -4.128 1.105 1.00 0.00 O ATOM 830 CB ILE A 54 -34.811 -6.201 2.719 1.00 0.00 C ATOM 831 CG1 ILE A 54 -33.802 -7.108 3.435 1.00 0.00 C ATOM 832 CG2 ILE A 54 -36.220 -6.781 2.865 1.00 0.00 C ATOM 833 CD1 ILE A 54 -34.015 -7.025 4.950 1.00 0.00 C ATOM 0 H ILE A 54 -33.705 -8.068 1.139 1.00 0.00 H new ATOM 0 HA ILE A 54 -35.230 -5.559 0.706 1.00 0.00 H new ATOM 0 HB ILE A 54 -34.781 -5.207 3.165 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -33.921 -8.138 3.097 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -32.785 -6.806 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -36.478 -6.848 3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -36.935 -6.133 2.358 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -36.252 -7.775 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -33.296 -7.671 5.454 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -33.874 -5.996 5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.027 -7.349 5.193 1.00 0.00 H new ATOM 845 N GLY A 55 -32.049 -6.109 0.894 1.00 0.00 N ATOM 846 CA GLY A 55 -30.731 -5.507 0.725 1.00 0.00 C ATOM 847 C GLY A 55 -29.709 -6.552 0.296 1.00 0.00 C ATOM 848 O GLY A 55 -29.869 -7.743 0.571 1.00 0.00 O ATOM 0 H GLY A 55 -32.058 -7.129 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.782 -4.714 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.415 -5.045 1.660 1.00 0.00 H new ATOM 852 N CYS A 56 -28.653 -6.101 -0.375 1.00 0.00 N ATOM 853 CA CYS A 56 -27.601 -7.004 -0.832 1.00 0.00 C ATOM 854 C CYS A 56 -26.287 -6.250 -1.002 1.00 0.00 C ATOM 855 O CYS A 56 -26.269 -5.118 -1.488 1.00 0.00 O ATOM 856 CB CYS A 56 -28.008 -7.643 -2.160 1.00 0.00 C ATOM 857 SG CYS A 56 -28.388 -6.346 -3.364 1.00 0.00 S ATOM 0 H CYS A 56 -28.503 -5.121 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.461 -7.784 -0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -27.203 -8.275 -2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -28.877 -8.285 -2.015 1.00 0.00 H new ATOM 0 HG CYS A 56 -27.726 -5.268 -3.064 1.00 0.00 H new ATOM 863 N GLY A 57 -25.193 -6.886 -0.600 1.00 0.00 N ATOM 864 CA GLY A 57 -23.877 -6.270 -0.712 1.00 0.00 C ATOM 865 C GLY A 57 -22.782 -7.327 -0.721 1.00 0.00 C ATOM 866 O GLY A 57 -23.046 -8.516 -0.533 1.00 0.00 O ATOM 0 H GLY A 57 -25.191 -7.823 -0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -23.825 -5.678 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -23.720 -5.585 0.121 1.00 0.00 H new ATOM 870 N LYS A 58 -21.545 -6.888 -0.930 1.00 0.00 N ATOM 871 CA LYS A 58 -20.406 -7.806 -0.953 1.00 0.00 C ATOM 872 C LYS A 58 -19.164 -7.130 -0.388 1.00 0.00 C ATOM 873 O LYS A 58 -19.099 -5.905 -0.296 1.00 0.00 O ATOM 874 CB LYS A 58 -20.129 -8.278 -2.385 1.00 0.00 C ATOM 875 CG LYS A 58 -19.606 -7.118 -3.247 1.00 0.00 C ATOM 876 CD LYS A 58 -20.675 -6.012 -3.340 1.00 0.00 C ATOM 877 CE LYS A 58 -20.509 -5.239 -4.645 1.00 0.00 C ATOM 878 NZ LYS A 58 -21.565 -4.198 -4.736 1.00 0.00 N ATOM 0 H LYS A 58 -21.304 -5.909 -1.085 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.652 -8.669 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.398 -9.086 -2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.042 -8.681 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.690 -6.716 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.355 -7.479 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.671 -6.452 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.584 -5.334 -2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.522 -4.777 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.577 -5.918 -5.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.455 -3.669 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.501 -4.650 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.479 -3.545 -3.931 1.00 0.00 H new ATOM 892 N GLY A 59 -18.176 -7.937 -0.027 1.00 0.00 N ATOM 893 CA GLY A 59 -16.939 -7.399 0.511 1.00 0.00 C ATOM 894 C GLY A 59 -15.960 -8.516 0.848 1.00 0.00 C ATOM 895 O GLY A 59 -16.228 -9.688 0.579 1.00 0.00 O ATOM 0 H GLY A 59 -18.207 -8.954 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.488 -6.721 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.151 -6.814 1.406 1.00 0.00 H new ATOM 899 N PRO A 60 -14.832 -8.173 1.416 1.00 0.00 N ATOM 900 CA PRO A 60 -13.772 -9.163 1.788 1.00 0.00 C ATOM 901 C PRO A 60 -14.293 -10.251 2.723 1.00 0.00 C ATOM 902 O PRO A 60 -13.800 -11.378 2.717 1.00 0.00 O ATOM 903 CB PRO A 60 -12.701 -8.304 2.484 1.00 0.00 C ATOM 904 CG PRO A 60 -12.931 -6.922 1.972 1.00 0.00 C ATOM 905 CD PRO A 60 -14.437 -6.802 1.781 1.00 0.00 C ATOM 0 HA PRO A 60 -13.396 -9.702 0.919 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.803 -8.346 3.568 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -11.697 -8.653 2.244 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.565 -6.176 2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.402 -6.759 1.033 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.934 -6.467 2.691 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.689 -6.087 0.998 1.00 0.00 H new ATOM 913 N SER A 61 -15.286 -9.900 3.539 1.00 0.00 N ATOM 914 CA SER A 61 -15.859 -10.846 4.499 1.00 0.00 C ATOM 915 C SER A 61 -17.377 -10.750 4.506 1.00 0.00 C ATOM 916 O SER A 61 -17.950 -9.718 4.156 1.00 0.00 O ATOM 917 CB SER A 61 -15.323 -10.548 5.898 1.00 0.00 C ATOM 918 OG SER A 61 -13.911 -10.717 5.908 1.00 0.00 O ATOM 0 H SER A 61 -15.710 -8.972 3.556 1.00 0.00 H new ATOM 0 HA SER A 61 -15.573 -11.855 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.581 -9.530 6.189 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.785 -11.214 6.626 1.00 0.00 H new ATOM 0 HG SER A 61 -13.565 -10.525 6.804 1.00 0.00 H new ATOM 924 N LYS A 62 -18.024 -11.842 4.892 1.00 0.00 N ATOM 925 CA LYS A 62 -19.479 -11.882 4.924 1.00 0.00 C ATOM 926 C LYS A 62 -20.019 -10.877 5.936 1.00 0.00 C ATOM 927 O LYS A 62 -20.997 -10.185 5.674 1.00 0.00 O ATOM 928 CB LYS A 62 -19.944 -13.287 5.313 1.00 0.00 C ATOM 929 CG LYS A 62 -19.558 -14.274 4.209 1.00 0.00 C ATOM 930 CD LYS A 62 -19.994 -15.686 4.609 1.00 0.00 C ATOM 931 CE LYS A 62 -19.539 -16.683 3.541 1.00 0.00 C ATOM 932 NZ LYS A 62 -18.047 -16.714 3.503 1.00 0.00 N ATOM 0 H LYS A 62 -17.568 -12.706 5.185 1.00 0.00 H new ATOM 0 HA LYS A 62 -19.856 -11.626 3.934 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -19.488 -13.584 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -21.024 -13.296 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -20.032 -13.988 3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -18.481 -14.248 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -19.564 -15.951 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.078 -15.726 4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -19.930 -17.676 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -19.934 -16.396 2.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.729 -17.610 3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.698 -15.919 2.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.673 -16.635 4.470 1.00 0.00 H new ATOM 946 N LYS A 63 -19.368 -10.797 7.093 1.00 0.00 N ATOM 947 CA LYS A 63 -19.798 -9.872 8.137 1.00 0.00 C ATOM 948 C LYS A 63 -19.735 -8.432 7.636 1.00 0.00 C ATOM 949 O LYS A 63 -20.639 -7.637 7.886 1.00 0.00 O ATOM 950 CB LYS A 63 -18.903 -10.029 9.365 1.00 0.00 C ATOM 951 CG LYS A 63 -19.457 -9.186 10.521 1.00 0.00 C ATOM 952 CD LYS A 63 -18.492 -9.224 11.710 1.00 0.00 C ATOM 953 CE LYS A 63 -18.547 -10.595 12.391 1.00 0.00 C ATOM 954 NZ LYS A 63 -17.789 -10.541 13.670 1.00 0.00 N ATOM 0 H LYS A 63 -18.548 -11.356 7.330 1.00 0.00 H new ATOM 0 HA LYS A 63 -20.829 -10.104 8.405 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -18.853 -11.078 9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.886 -9.715 9.128 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -19.602 -8.157 10.193 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -20.433 -9.565 10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.477 -9.019 11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.753 -8.444 12.425 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -19.582 -10.878 12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.123 -11.356 11.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.825 -11.471 14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.799 -10.289 13.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -18.213 -9.826 14.295 1.00 0.00 H new ATOM 968 N GLN A 64 -18.659 -8.102 6.938 1.00 0.00 N ATOM 969 CA GLN A 64 -18.485 -6.754 6.408 1.00 0.00 C ATOM 970 C GLN A 64 -19.537 -6.458 5.341 1.00 0.00 C ATOM 971 O GLN A 64 -20.050 -5.346 5.249 1.00 0.00 O ATOM 972 CB GLN A 64 -17.087 -6.604 5.810 1.00 0.00 C ATOM 973 CG GLN A 64 -16.041 -6.663 6.926 1.00 0.00 C ATOM 974 CD GLN A 64 -16.171 -5.447 7.839 1.00 0.00 C ATOM 975 OE1 GLN A 64 -16.748 -5.543 8.921 1.00 0.00 O ATOM 976 NE2 GLN A 64 -15.659 -4.307 7.465 1.00 0.00 N ATOM 0 H GLN A 64 -17.895 -8.744 6.725 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.605 -6.043 7.225 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.904 -7.397 5.084 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.009 -5.658 5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -16.169 -7.577 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -15.041 -6.697 6.495 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -15.181 -4.233 6.567 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -15.736 -3.490 8.071 1.00 0.00 H new ATOM 985 N ALA A 65 -19.844 -7.465 4.532 1.00 0.00 N ATOM 986 CA ALA A 65 -20.831 -7.313 3.468 1.00 0.00 C ATOM 987 C ALA A 65 -22.201 -6.965 4.035 1.00 0.00 C ATOM 988 O ALA A 65 -22.965 -6.215 3.425 1.00 0.00 O ATOM 989 CB ALA A 65 -20.932 -8.596 2.652 1.00 0.00 C ATOM 0 H ALA A 65 -19.426 -8.393 4.591 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.502 -6.497 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.672 -8.468 1.862 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.963 -8.822 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -21.234 -9.418 3.302 1.00 0.00 H new ATOM 995 N LYS A 66 -22.507 -7.515 5.201 1.00 0.00 N ATOM 996 CA LYS A 66 -23.792 -7.258 5.837 1.00 0.00 C ATOM 997 C LYS A 66 -23.999 -5.765 6.036 1.00 0.00 C ATOM 998 O LYS A 66 -25.130 -5.286 6.009 1.00 0.00 O ATOM 999 CB LYS A 66 -23.859 -7.957 7.200 1.00 0.00 C ATOM 1000 CG LYS A 66 -23.992 -9.465 6.997 1.00 0.00 C ATOM 1001 CD LYS A 66 -24.058 -10.165 8.357 1.00 0.00 C ATOM 1002 CE LYS A 66 -24.200 -11.675 8.151 1.00 0.00 C ATOM 1003 NZ LYS A 66 -24.272 -12.353 9.477 1.00 0.00 N ATOM 0 H LYS A 66 -21.889 -8.137 5.723 1.00 0.00 H new ATOM 0 HA LYS A 66 -24.575 -7.648 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -22.962 -7.736 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -24.707 -7.581 7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.890 -9.686 6.419 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -23.144 -9.841 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -23.158 -9.949 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -24.902 -9.785 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -25.097 -11.891 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -23.353 -12.056 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -24.368 -13.379 9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -23.404 -12.157 10.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -25.094 -11.997 10.005 1.00 0.00 H new ATOM 1017 N MET A 67 -22.915 -5.032 6.240 1.00 0.00 N ATOM 1018 CA MET A 67 -23.023 -3.599 6.456 1.00 0.00 C ATOM 1019 C MET A 67 -23.695 -2.931 5.258 1.00 0.00 C ATOM 1020 O MET A 67 -24.598 -2.111 5.424 1.00 0.00 O ATOM 1021 CB MET A 67 -21.629 -2.998 6.639 1.00 0.00 C ATOM 1022 CG MET A 67 -21.005 -3.524 7.932 1.00 0.00 C ATOM 1023 SD MET A 67 -19.583 -2.497 8.380 1.00 0.00 S ATOM 1024 CE MET A 67 -18.582 -2.829 6.910 1.00 0.00 C ATOM 0 H MET A 67 -21.964 -5.400 6.260 1.00 0.00 H new ATOM 0 HA MET A 67 -23.623 -3.428 7.350 1.00 0.00 H new ATOM 0 HB2 MET A 67 -20.997 -3.255 5.789 1.00 0.00 H new ATOM 0 HB3 MET A 67 -21.693 -1.910 6.671 1.00 0.00 H new ATOM 0 HG2 MET A 67 -21.742 -3.512 8.735 1.00 0.00 H new ATOM 0 HG3 MET A 67 -20.692 -4.560 7.802 1.00 0.00 H new ATOM 0 HE1 MET A 67 -17.568 -2.464 7.070 1.00 0.00 H new ATOM 0 HE2 MET A 67 -18.556 -3.902 6.722 1.00 0.00 H new ATOM 0 HE3 MET A 67 -19.019 -2.321 6.050 1.00 0.00 H new ATOM 1034 N GLY A 68 -23.258 -3.289 4.053 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.841 -2.713 2.846 1.00 0.00 C ATOM 1036 C GLY A 68 -25.258 -3.229 2.614 1.00 0.00 C ATOM 1037 O GLY A 68 -26.185 -2.448 2.399 1.00 0.00 O ATOM 0 H GLY A 68 -22.513 -3.966 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.857 -1.626 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -23.217 -2.957 1.986 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.419 -4.548 2.655 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.731 -5.149 2.440 1.00 0.00 C ATOM 1043 C ALA A 69 -27.719 -4.708 3.515 1.00 0.00 C ATOM 1044 O ALA A 69 -28.847 -4.306 3.215 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.606 -6.675 2.462 1.00 0.00 C ATOM 0 H ALA A 69 -24.667 -5.214 2.833 1.00 0.00 H new ATOM 0 HA ALA A 69 -27.104 -4.818 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.587 -7.123 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -25.927 -6.996 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -26.215 -6.994 3.428 1.00 0.00 H new ATOM 1051 N ALA A 70 -27.291 -4.780 4.768 1.00 0.00 N ATOM 1052 CA ALA A 70 -28.150 -4.386 5.878 1.00 0.00 C ATOM 1053 C ALA A 70 -28.522 -2.911 5.775 1.00 0.00 C ATOM 1054 O ALA A 70 -29.676 -2.538 5.964 1.00 0.00 O ATOM 1055 CB ALA A 70 -27.434 -4.645 7.204 1.00 0.00 C ATOM 0 H ALA A 70 -26.363 -5.104 5.041 1.00 0.00 H new ATOM 0 HA ALA A 70 -29.064 -4.979 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -28.080 -4.349 8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -27.199 -5.706 7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.512 -4.065 7.239 1.00 0.00 H new ATOM 1061 N MET A 71 -27.536 -2.081 5.463 1.00 0.00 N ATOM 1062 CA MET A 71 -27.766 -0.650 5.325 1.00 0.00 C ATOM 1063 C MET A 71 -28.762 -0.368 4.212 1.00 0.00 C ATOM 1064 O MET A 71 -29.606 0.520 4.335 1.00 0.00 O ATOM 1065 CB MET A 71 -26.448 0.066 5.053 1.00 0.00 C ATOM 1066 CG MET A 71 -26.703 1.571 4.917 1.00 0.00 C ATOM 1067 SD MET A 71 -25.121 2.447 4.822 1.00 0.00 S ATOM 1068 CE MET A 71 -24.621 1.866 3.183 1.00 0.00 C ATOM 0 H MET A 71 -26.572 -2.373 5.301 1.00 0.00 H new ATOM 0 HA MET A 71 -28.186 -0.275 6.258 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.745 -0.123 5.864 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.993 -0.321 4.141 1.00 0.00 H new ATOM 0 HG2 MET A 71 -27.295 1.771 4.024 1.00 0.00 H new ATOM 0 HG3 MET A 71 -27.279 1.931 5.769 1.00 0.00 H new ATOM 0 HE1 MET A 71 -23.880 2.548 2.766 1.00 0.00 H new ATOM 0 HE2 MET A 71 -24.190 0.868 3.266 1.00 0.00 H new ATOM 0 HE3 MET A 71 -25.492 1.832 2.528 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.660 -1.124 3.125 1.00 0.00 N ATOM 1079 CA ASP A 72 -29.557 -0.937 2.001 1.00 0.00 C ATOM 1080 C ASP A 72 -31.005 -1.130 2.438 1.00 0.00 C ATOM 1081 O ASP A 72 -31.882 -0.351 2.063 1.00 0.00 O ATOM 1082 CB ASP A 72 -29.217 -1.944 0.900 1.00 0.00 C ATOM 1083 CG ASP A 72 -30.105 -1.711 -0.316 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -31.161 -2.321 -0.380 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.718 -0.928 -1.167 1.00 0.00 O ATOM 0 H ASP A 72 -27.970 -1.865 3.002 1.00 0.00 H new ATOM 0 HA ASP A 72 -29.436 0.077 1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -28.169 -1.846 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -29.354 -2.960 1.271 1.00 0.00 H new ATOM 1090 N ALA A 73 -31.252 -2.164 3.235 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.605 -2.428 3.709 1.00 0.00 C ATOM 1092 C ALA A 73 -33.121 -1.254 4.537 1.00 0.00 C ATOM 1093 O ALA A 73 -34.251 -0.803 4.359 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.611 -3.699 4.565 1.00 0.00 C ATOM 0 H ALA A 73 -30.546 -2.823 3.562 1.00 0.00 H new ATOM 0 HA ALA A 73 -33.257 -2.562 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.623 -3.895 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -32.266 -4.542 3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.948 -3.565 5.420 1.00 0.00 H new ATOM 1100 N LEU A 74 -32.283 -0.756 5.437 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.667 0.370 6.285 1.00 0.00 C ATOM 1102 C LEU A 74 -32.970 1.595 5.432 1.00 0.00 C ATOM 1103 O LEU A 74 -33.945 2.304 5.671 1.00 0.00 O ATOM 1104 CB LEU A 74 -31.538 0.675 7.285 1.00 0.00 C ATOM 1105 CG LEU A 74 -31.764 -0.106 8.591 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -32.992 0.457 9.352 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -31.977 -1.600 8.271 1.00 0.00 C ATOM 0 H LEU A 74 -31.340 -1.109 5.600 1.00 0.00 H new ATOM 0 HA LEU A 74 -33.568 0.108 6.839 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -30.575 0.404 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -31.505 1.745 7.493 1.00 0.00 H new ATOM 0 HG LEU A 74 -30.885 0.004 9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.138 -0.106 10.274 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -32.822 1.507 9.591 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -33.880 0.367 8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.137 -2.151 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.849 -1.713 7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -31.096 -1.992 7.763 1.00 0.00 H new ATOM 1119 N GLU A 75 -32.132 1.830 4.440 1.00 0.00 N ATOM 1120 CA GLU A 75 -32.324 2.974 3.563 1.00 0.00 C ATOM 1121 C GLU A 75 -33.631 2.840 2.792 1.00 0.00 C ATOM 1122 O GLU A 75 -34.353 3.818 2.600 1.00 0.00 O ATOM 1123 CB GLU A 75 -31.156 3.073 2.585 1.00 0.00 C ATOM 1124 CG GLU A 75 -29.897 3.514 3.332 1.00 0.00 C ATOM 1125 CD GLU A 75 -28.685 3.412 2.414 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -28.813 2.805 1.364 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -27.646 3.940 2.775 1.00 0.00 O ATOM 0 H GLU A 75 -31.320 1.253 4.221 1.00 0.00 H new ATOM 0 HA GLU A 75 -32.368 3.878 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -30.987 2.109 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -31.390 3.786 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -30.013 4.539 3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -29.750 2.890 4.214 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.931 1.622 2.355 1.00 0.00 N ATOM 1135 CA LYS A 76 -35.157 1.371 1.609 1.00 0.00 C ATOM 1136 C LYS A 76 -36.346 1.256 2.551 1.00 0.00 C ATOM 1137 O LYS A 76 -37.491 1.173 2.108 1.00 0.00 O ATOM 1138 CB LYS A 76 -35.027 0.080 0.810 1.00 0.00 C ATOM 1139 CG LYS A 76 -33.977 0.261 -0.292 1.00 0.00 C ATOM 1140 CD LYS A 76 -33.650 -1.091 -0.940 1.00 0.00 C ATOM 1141 CE LYS A 76 -34.810 -1.541 -1.832 1.00 0.00 C ATOM 1142 NZ LYS A 76 -35.061 -0.502 -2.870 1.00 0.00 N ATOM 0 H LYS A 76 -33.347 0.799 2.503 1.00 0.00 H new ATOM 0 HA LYS A 76 -35.319 2.209 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -34.740 -0.740 1.469 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -35.988 -0.186 0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -34.348 0.954 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -33.072 0.700 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -32.738 -1.009 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -33.464 -1.838 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -34.573 -2.494 -2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -35.707 -1.697 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -35.497 -0.943 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -35.701 0.223 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -34.160 -0.059 -3.143 1.00 0.00 H new ATOM 1156 N TYR A 77 -36.067 1.245 3.851 1.00 0.00 N ATOM 1157 CA TYR A 77 -37.123 1.136 4.850 1.00 0.00 C ATOM 1158 C TYR A 77 -37.944 -0.130 4.628 1.00 0.00 C ATOM 1159 O TYR A 77 -38.633 -0.265 3.619 1.00 0.00 O ATOM 1160 CB TYR A 77 -38.039 2.362 4.786 1.00 0.00 C ATOM 1161 CG TYR A 77 -37.251 3.598 5.142 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -36.623 4.342 4.138 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -37.151 3.999 6.479 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -35.894 5.491 4.470 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -36.424 5.148 6.812 1.00 0.00 C ATOM 1166 CZ TYR A 77 -35.794 5.894 5.808 1.00 0.00 C ATOM 1167 OH TYR A 77 -35.076 7.024 6.136 1.00 0.00 O ATOM 0 H TYR A 77 -35.124 1.310 4.235 1.00 0.00 H new ATOM 0 HA TYR A 77 -36.658 1.085 5.835 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -38.461 2.462 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -38.876 2.240 5.474 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -36.700 4.031 3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -37.635 3.422 7.254 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -35.409 6.066 3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -36.349 5.459 7.843 1.00 0.00 H new ATOM 0 HH TYR A 77 -35.108 7.162 7.106 1.00 0.00 H new ATOM 1177 N ASN A 78 -37.859 -1.056 5.578 1.00 0.00 N ATOM 1178 CA ASN A 78 -38.594 -2.313 5.479 1.00 0.00 C ATOM 1179 C ASN A 78 -40.047 -2.121 5.899 1.00 0.00 C ATOM 1180 O ASN A 78 -40.347 -1.320 6.785 1.00 0.00 O ATOM 1181 CB ASN A 78 -37.942 -3.371 6.367 1.00 0.00 C ATOM 1182 CG ASN A 78 -36.489 -3.576 5.950 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -36.213 -3.925 4.724 1.00 0.00 O flip ATOM 1184 ND2 ASN A 78 -35.580 -3.410 6.765 1.00 0.00 N flip ATOM 0 H ASN A 78 -37.292 -0.961 6.421 1.00 0.00 H new ATOM 0 HA ASN A 78 -38.569 -2.644 4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -37.989 -3.061 7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -38.488 -4.311 6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -35.798 -3.137 7.723 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -34.610 -3.545 6.481 1.00 0.00 H new ATOM 1191 N PHE A 79 -40.944 -2.860 5.255 1.00 0.00 N ATOM 1192 CA PHE A 79 -42.365 -2.764 5.566 1.00 0.00 C ATOM 1193 C PHE A 79 -42.792 -1.301 5.675 1.00 0.00 C ATOM 1194 O PHE A 79 -43.335 -0.877 6.695 1.00 0.00 O ATOM 1195 CB PHE A 79 -42.660 -3.488 6.882 1.00 0.00 C ATOM 1196 CG PHE A 79 -44.149 -3.703 7.015 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -44.770 -4.733 6.301 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -44.907 -2.875 7.853 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -46.149 -4.935 6.421 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -46.286 -3.078 7.973 1.00 0.00 C ATOM 1201 CZ PHE A 79 -46.908 -4.108 7.257 1.00 0.00 C ATOM 0 H PHE A 79 -40.714 -3.528 4.519 1.00 0.00 H new ATOM 0 HA PHE A 79 -42.929 -3.234 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -42.140 -4.445 6.907 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -42.290 -2.902 7.723 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -44.185 -5.373 5.657 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -44.427 -2.081 8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -46.628 -5.730 5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -46.871 -2.440 8.618 1.00 0.00 H new ATOM 0 HZ PHE A 79 -47.973 -4.264 7.350 1.00 0.00 H new ATOM 1211 N PRO A 80 -42.558 -0.531 4.643 1.00 0.00 N ATOM 1212 CA PRO A 80 -42.929 0.916 4.617 1.00 0.00 C ATOM 1213 C PRO A 80 -44.442 1.121 4.593 1.00 0.00 C ATOM 1214 O PRO A 80 -45.188 0.277 4.098 1.00 0.00 O ATOM 1215 CB PRO A 80 -42.268 1.443 3.330 1.00 0.00 C ATOM 1216 CG PRO A 80 -42.092 0.237 2.452 1.00 0.00 C ATOM 1217 CD PRO A 80 -41.911 -0.960 3.388 1.00 0.00 C ATOM 0 HA PRO A 80 -42.594 1.443 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -42.893 2.194 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -41.310 1.916 3.545 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -42.959 0.097 1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -41.226 0.354 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -42.379 -1.857 2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -40.857 -1.192 3.541 1.00 0.00 H new ATOM 1225 N GLN A 81 -44.885 2.249 5.136 1.00 0.00 N ATOM 1226 CA GLN A 81 -46.306 2.560 5.177 1.00 0.00 C ATOM 1227 C GLN A 81 -46.521 4.050 5.406 1.00 0.00 C ATOM 1228 O GLN A 81 -45.621 4.752 5.865 1.00 0.00 O ATOM 1229 CB GLN A 81 -46.981 1.763 6.290 1.00 0.00 C ATOM 1230 CG GLN A 81 -46.363 2.145 7.637 1.00 0.00 C ATOM 1231 CD GLN A 81 -46.877 1.213 8.727 1.00 0.00 C ATOM 1232 OE1 GLN A 81 -48.085 1.116 8.944 1.00 0.00 O ATOM 1233 NE2 GLN A 81 -46.026 0.516 9.429 1.00 0.00 N ATOM 0 H GLN A 81 -44.283 2.959 5.552 1.00 0.00 H new ATOM 0 HA GLN A 81 -46.748 2.287 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -48.052 1.965 6.299 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -46.860 0.695 6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -45.276 2.085 7.578 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -46.613 3.177 7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -45.026 0.599 9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -46.361 -0.112 10.160 1.00 0.00 H new ATOM 1242 N MET A 82 -47.718 4.528 5.081 1.00 0.00 N ATOM 1243 CA MET A 82 -48.043 5.943 5.251 1.00 0.00 C ATOM 1244 C MET A 82 -49.532 6.118 5.531 1.00 0.00 C ATOM 1245 O MET A 82 -50.205 5.113 5.695 1.00 0.00 O ATOM 1246 CB MET A 82 -47.671 6.717 3.985 1.00 0.00 C ATOM 1247 CG MET A 82 -46.149 6.755 3.832 1.00 0.00 C ATOM 1248 SD MET A 82 -45.708 7.875 2.481 1.00 0.00 S ATOM 1249 CE MET A 82 -46.351 6.862 1.123 1.00 0.00 C ATOM 1250 OXT MET A 82 -49.977 7.253 5.580 1.00 0.00 O ATOM 0 H MET A 82 -48.476 3.962 4.701 1.00 0.00 H new ATOM 0 HA MET A 82 -47.475 6.329 6.097 1.00 0.00 H new ATOM 0 HB2 MET A 82 -48.122 6.244 3.113 1.00 0.00 H new ATOM 0 HB3 MET A 82 -48.066 7.731 4.038 1.00 0.00 H new ATOM 0 HG2 MET A 82 -45.687 7.089 4.761 1.00 0.00 H new ATOM 0 HG3 MET A 82 -45.768 5.754 3.628 1.00 0.00 H new ATOM 0 HE1 MET A 82 -45.848 7.135 0.195 1.00 0.00 H new ATOM 0 HE2 MET A 82 -46.170 5.809 1.337 1.00 0.00 H new ATOM 0 HE3 MET A 82 -47.423 7.032 1.018 1.00 0.00 H new TER 1260 MET A 82