USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 564 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 NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 64 HIS HE2 : A 64 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 50 HIS : no HE2:sc= -1.79! C(o=-0.51!,f=-8.1!) USER MOD Set 1.2: A 71 TYR OH : rot 16:sc= 1.28 USER MOD Set 2.1: A 27 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.344 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 6:sc= 0.159 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 11 SER OG : rot 18:sc= 0.511 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.228) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-0.43) USER MOD Single : A 26 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 28 SER OG : rot 180:sc= -0.268 USER MOD Single : A 31 MET CE :methyl 162:sc= -0.617 (180deg=-1.74!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.0774 K(o=-0.077,f=-1.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc=-0.00286 X(o=-0.0029,f=0) USER MOD Single : A 53 THR OG1 : rot 108:sc= 1.41 USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0835 (180deg=-0.442) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 152:sc= -0.962 USER MOD Single : A 75 SER OG : rot -55:sc= 0.538 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.894 -15.990 12.664 1.00 0.00 N ATOM 2 CA GLY A 1 -44.420 -15.677 11.329 1.00 0.00 C ATOM 3 C GLY A 1 -43.036 -15.059 11.335 1.00 0.00 C ATOM 4 O GLY A 1 -42.804 -14.044 11.992 1.00 0.00 O ATOM 0 H1 GLY A 1 -45.844 -16.410 12.606 1.00 0.00 H new ATOM 0 H2 GLY A 1 -44.244 -16.666 13.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.935 -15.119 13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -44.405 -16.587 10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -45.119 -14.991 10.850 1.00 0.00 H new ATOM 8 N SER A 2 -42.112 -15.673 10.602 1.00 0.00 N ATOM 9 CA SER A 2 -40.742 -15.180 10.530 1.00 0.00 C ATOM 10 C SER A 2 -40.291 -15.037 9.079 1.00 0.00 C ATOM 11 O SER A 2 -40.173 -16.025 8.354 1.00 0.00 O ATOM 12 CB SER A 2 -39.798 -16.124 11.278 1.00 0.00 C ATOM 13 OG SER A 2 -39.937 -17.456 10.817 1.00 0.00 O ATOM 0 H SER A 2 -42.288 -16.512 10.050 1.00 0.00 H new ATOM 0 HA SER A 2 -40.711 -14.197 11.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.768 -15.795 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.009 -16.082 12.347 1.00 0.00 H new ATOM 0 HG SER A 2 -40.113 -17.452 9.853 1.00 0.00 H new ATOM 19 N SER A 3 -40.042 -13.800 8.663 1.00 0.00 N ATOM 20 CA SER A 3 -39.608 -13.526 7.298 1.00 0.00 C ATOM 21 C SER A 3 -38.988 -12.136 7.194 1.00 0.00 C ATOM 22 O SER A 3 -38.991 -11.369 8.156 1.00 0.00 O ATOM 23 CB SER A 3 -40.789 -13.644 6.332 1.00 0.00 C ATOM 24 OG SER A 3 -41.640 -12.515 6.427 1.00 0.00 O ATOM 0 H SER A 3 -40.133 -12.972 9.251 1.00 0.00 H new ATOM 0 HA SER A 3 -38.852 -14.263 7.028 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.420 -13.740 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.355 -14.549 6.553 1.00 0.00 H new ATOM 0 HG SER A 3 -42.386 -12.614 5.799 1.00 0.00 H new ATOM 30 N GLY A 4 -38.456 -11.818 6.017 1.00 0.00 N ATOM 31 CA GLY A 4 -37.839 -10.522 5.808 1.00 0.00 C ATOM 32 C GLY A 4 -36.347 -10.623 5.559 1.00 0.00 C ATOM 33 O GLY A 4 -35.695 -11.555 6.028 1.00 0.00 O ATOM 0 H GLY A 4 -38.442 -12.435 5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.313 -10.030 4.959 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -38.017 -9.894 6.681 1.00 0.00 H new ATOM 37 N SER A 5 -35.806 -9.661 4.818 1.00 0.00 N ATOM 38 CA SER A 5 -34.382 -9.648 4.503 1.00 0.00 C ATOM 39 C SER A 5 -33.865 -8.218 4.385 1.00 0.00 C ATOM 40 O SER A 5 -34.625 -7.293 4.100 1.00 0.00 O ATOM 41 CB SER A 5 -34.120 -10.407 3.201 1.00 0.00 C ATOM 42 OG SER A 5 -34.268 -11.804 3.386 1.00 0.00 O ATOM 0 H SER A 5 -36.332 -8.881 4.425 1.00 0.00 H new ATOM 0 HA SER A 5 -33.850 -10.142 5.316 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.811 -10.064 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.113 -10.189 2.846 1.00 0.00 H new ATOM 0 HG SER A 5 -34.599 -11.981 4.291 1.00 0.00 H new ATOM 48 N SER A 6 -32.565 -8.046 4.606 1.00 0.00 N ATOM 49 CA SER A 6 -31.945 -6.728 4.528 1.00 0.00 C ATOM 50 C SER A 6 -31.317 -6.504 3.156 1.00 0.00 C ATOM 51 O SER A 6 -31.622 -5.526 2.474 1.00 0.00 O ATOM 52 CB SER A 6 -30.883 -6.576 5.619 1.00 0.00 C ATOM 53 OG SER A 6 -31.453 -6.093 6.822 1.00 0.00 O ATOM 0 H SER A 6 -31.922 -8.802 4.840 1.00 0.00 H new ATOM 0 HA SER A 6 -32.721 -5.978 4.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.404 -7.538 5.801 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.105 -5.891 5.281 1.00 0.00 H new ATOM 0 HG SER A 6 -30.754 -6.006 7.503 1.00 0.00 H new ATOM 59 N GLY A 7 -30.437 -7.417 2.758 1.00 0.00 N ATOM 60 CA GLY A 7 -29.780 -7.302 1.469 1.00 0.00 C ATOM 61 C GLY A 7 -28.406 -6.670 1.574 1.00 0.00 C ATOM 62 O GLY A 7 -28.062 -5.783 0.792 1.00 0.00 O ATOM 0 H GLY A 7 -30.167 -8.234 3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.688 -8.292 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.401 -6.706 0.800 1.00 0.00 H new ATOM 66 N ARG A 8 -27.619 -7.125 2.544 1.00 0.00 N ATOM 67 CA ARG A 8 -26.277 -6.596 2.750 1.00 0.00 C ATOM 68 C ARG A 8 -25.260 -7.344 1.893 1.00 0.00 C ATOM 69 O ARG A 8 -24.813 -8.435 2.250 1.00 0.00 O ATOM 70 CB ARG A 8 -25.887 -6.696 4.226 1.00 0.00 C ATOM 71 CG ARG A 8 -25.865 -8.120 4.755 1.00 0.00 C ATOM 72 CD ARG A 8 -26.101 -8.161 6.257 1.00 0.00 C ATOM 73 NE ARG A 8 -26.265 -9.526 6.749 1.00 0.00 N ATOM 74 CZ ARG A 8 -26.707 -9.821 7.966 1.00 0.00 C ATOM 75 NH1 ARG A 8 -27.029 -8.851 8.811 1.00 0.00 N ATOM 76 NH2 ARG A 8 -26.829 -11.088 8.340 1.00 0.00 N ATOM 0 H ARG A 8 -27.888 -7.859 3.199 1.00 0.00 H new ATOM 0 HA ARG A 8 -26.278 -5.548 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.901 -6.251 4.364 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -26.588 -6.108 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -26.630 -8.709 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -24.904 -8.580 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -25.262 -7.690 6.769 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.990 -7.579 6.500 1.00 0.00 H new ATOM 0 HE ARG A 8 -26.027 -10.296 6.123 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -26.937 -7.876 8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -27.368 -9.080 9.745 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -26.583 -11.837 7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -27.169 -11.313 9.275 1.00 0.00 H new ATOM 90 N THR A 9 -24.899 -6.752 0.759 1.00 0.00 N ATOM 91 CA THR A 9 -23.937 -7.362 -0.150 1.00 0.00 C ATOM 92 C THR A 9 -23.048 -6.307 -0.799 1.00 0.00 C ATOM 93 O THR A 9 -23.517 -5.233 -1.178 1.00 0.00 O ATOM 94 CB THR A 9 -24.643 -8.172 -1.254 1.00 0.00 C ATOM 95 OG1 THR A 9 -25.484 -9.171 -0.667 1.00 0.00 O ATOM 96 CG2 THR A 9 -23.627 -8.833 -2.173 1.00 0.00 C ATOM 0 H THR A 9 -25.259 -5.850 0.448 1.00 0.00 H new ATOM 0 HA THR A 9 -23.321 -8.035 0.447 1.00 0.00 H new ATOM 0 HB THR A 9 -25.252 -7.487 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 9 -25.930 -9.680 -1.375 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.149 -9.399 -2.945 1.00 0.00 H new ATOM 0 HG22 THR A 9 -23.008 -8.068 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.996 -9.506 -1.593 1.00 0.00 H new ATOM 104 N HIS A 10 -21.762 -6.620 -0.925 1.00 0.00 N ATOM 105 CA HIS A 10 -20.807 -5.699 -1.531 1.00 0.00 C ATOM 106 C HIS A 10 -19.515 -6.421 -1.900 1.00 0.00 C ATOM 107 O HIS A 10 -19.024 -7.261 -1.146 1.00 0.00 O ATOM 108 CB HIS A 10 -20.504 -4.544 -0.575 1.00 0.00 C ATOM 109 CG HIS A 10 -19.722 -3.434 -1.206 1.00 0.00 C ATOM 110 ND1 HIS A 10 -20.289 -2.235 -1.585 1.00 0.00 N ATOM 111 CD2 HIS A 10 -18.410 -3.344 -1.523 1.00 0.00 C ATOM 112 CE1 HIS A 10 -19.359 -1.457 -2.109 1.00 0.00 C ATOM 113 NE2 HIS A 10 -18.209 -2.106 -2.083 1.00 0.00 N ATOM 0 H HIS A 10 -21.358 -7.504 -0.616 1.00 0.00 H new ATOM 0 HA HIS A 10 -21.252 -5.300 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -21.443 -4.144 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -19.949 -4.928 0.281 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -17.660 -4.105 -1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -19.513 -0.460 -2.493 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -17.317 -1.747 -2.423 1.00 0.00 H new ATOM 121 N SER A 11 -18.969 -6.089 -3.066 1.00 0.00 N ATOM 122 CA SER A 11 -17.737 -6.709 -3.537 1.00 0.00 C ATOM 123 C SER A 11 -17.007 -5.793 -4.515 1.00 0.00 C ATOM 124 O SER A 11 -17.621 -5.194 -5.398 1.00 0.00 O ATOM 125 CB SER A 11 -18.040 -8.051 -4.207 1.00 0.00 C ATOM 126 OG SER A 11 -18.163 -9.084 -3.245 1.00 0.00 O ATOM 0 H SER A 11 -19.361 -5.394 -3.701 1.00 0.00 H new ATOM 0 HA SER A 11 -17.092 -6.879 -2.675 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.962 -7.974 -4.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.245 -8.298 -4.911 1.00 0.00 H new ATOM 0 HG SER A 11 -18.318 -8.691 -2.361 1.00 0.00 H new ATOM 132 N GLY A 12 -15.692 -5.689 -4.351 1.00 0.00 N ATOM 133 CA GLY A 12 -14.900 -4.845 -5.226 1.00 0.00 C ATOM 134 C GLY A 12 -13.984 -5.645 -6.131 1.00 0.00 C ATOM 135 O GLY A 12 -13.753 -6.831 -5.898 1.00 0.00 O ATOM 0 H GLY A 12 -15.161 -6.174 -3.628 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.565 -4.234 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.303 -4.161 -4.623 1.00 0.00 H new ATOM 139 N GLU A 13 -13.463 -4.995 -7.167 1.00 0.00 N ATOM 140 CA GLU A 13 -12.570 -5.656 -8.111 1.00 0.00 C ATOM 141 C GLU A 13 -11.128 -5.199 -7.908 1.00 0.00 C ATOM 142 O GLU A 13 -10.308 -5.266 -8.823 1.00 0.00 O ATOM 143 CB GLU A 13 -13.009 -5.369 -9.549 1.00 0.00 C ATOM 144 CG GLU A 13 -13.065 -3.889 -9.884 1.00 0.00 C ATOM 145 CD GLU A 13 -13.700 -3.620 -11.235 1.00 0.00 C ATOM 146 OE1 GLU A 13 -14.946 -3.564 -11.305 1.00 0.00 O ATOM 147 OE2 GLU A 13 -12.951 -3.467 -12.222 1.00 0.00 O ATOM 0 H GLU A 13 -13.644 -4.013 -7.374 1.00 0.00 H new ATOM 0 HA GLU A 13 -12.622 -6.730 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.321 -5.862 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.993 -5.808 -9.714 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.629 -3.367 -9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -12.055 -3.479 -9.873 1.00 0.00 H new ATOM 154 N LYS A 14 -10.826 -4.733 -6.700 1.00 0.00 N ATOM 155 CA LYS A 14 -9.485 -4.265 -6.374 1.00 0.00 C ATOM 156 C LYS A 14 -9.143 -4.566 -4.918 1.00 0.00 C ATOM 157 O LYS A 14 -9.784 -4.073 -3.990 1.00 0.00 O ATOM 158 CB LYS A 14 -9.369 -2.762 -6.635 1.00 0.00 C ATOM 159 CG LYS A 14 -9.652 -2.372 -8.076 1.00 0.00 C ATOM 160 CD LYS A 14 -8.379 -2.340 -8.905 1.00 0.00 C ATOM 161 CE LYS A 14 -8.615 -1.701 -10.265 1.00 0.00 C ATOM 162 NZ LYS A 14 -8.595 -0.214 -10.190 1.00 0.00 N ATOM 0 H LYS A 14 -11.493 -4.670 -5.931 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.778 -4.794 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.063 -2.233 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.365 -2.432 -6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.355 -3.080 -8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.129 -1.392 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.609 -1.785 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.005 -3.355 -9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.850 -2.040 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.576 -2.032 -10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.487 0.180 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.486 0.125 -9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.798 0.093 -9.597 1.00 0.00 H new ATOM 176 N PRO A 15 -8.108 -5.394 -4.711 1.00 0.00 N ATOM 177 CA PRO A 15 -7.656 -5.777 -3.370 1.00 0.00 C ATOM 178 C PRO A 15 -7.004 -4.618 -2.625 1.00 0.00 C ATOM 179 O PRO A 15 -6.610 -4.756 -1.467 1.00 0.00 O ATOM 180 CB PRO A 15 -6.632 -6.881 -3.643 1.00 0.00 C ATOM 181 CG PRO A 15 -6.134 -6.605 -5.020 1.00 0.00 C ATOM 182 CD PRO A 15 -7.298 -6.019 -5.771 1.00 0.00 C ATOM 0 HA PRO A 15 -8.484 -6.092 -2.735 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.820 -6.856 -2.916 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.088 -7.869 -3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.294 -5.911 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.781 -7.519 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -6.972 -5.288 -6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.858 -6.786 -6.306 1.00 0.00 H new ATOM 190 N TYR A 16 -6.895 -3.477 -3.295 1.00 0.00 N ATOM 191 CA TYR A 16 -6.289 -2.293 -2.696 1.00 0.00 C ATOM 192 C TYR A 16 -7.030 -1.029 -3.118 1.00 0.00 C ATOM 193 O TYR A 16 -7.714 -1.009 -4.141 1.00 0.00 O ATOM 194 CB TYR A 16 -4.816 -2.192 -3.095 1.00 0.00 C ATOM 195 CG TYR A 16 -3.948 -3.272 -2.489 1.00 0.00 C ATOM 196 CD1 TYR A 16 -3.410 -3.124 -1.216 1.00 0.00 C ATOM 197 CD2 TYR A 16 -3.667 -4.438 -3.188 1.00 0.00 C ATOM 198 CE1 TYR A 16 -2.616 -4.108 -0.659 1.00 0.00 C ATOM 199 CE2 TYR A 16 -2.875 -5.428 -2.638 1.00 0.00 C ATOM 200 CZ TYR A 16 -2.352 -5.258 -1.373 1.00 0.00 C ATOM 201 OH TYR A 16 -1.562 -6.241 -0.822 1.00 0.00 O ATOM 0 H TYR A 16 -7.218 -3.346 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.359 -2.388 -1.612 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -4.738 -2.242 -4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.433 -1.217 -2.793 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.616 -2.225 -0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.074 -4.574 -4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.204 -3.977 0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -2.667 -6.329 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.476 -6.984 -1.455 1.00 0.00 H new ATOM 211 N GLU A 17 -6.889 0.026 -2.321 1.00 0.00 N ATOM 212 CA GLU A 17 -7.545 1.296 -2.612 1.00 0.00 C ATOM 213 C GLU A 17 -7.017 2.402 -1.703 1.00 0.00 C ATOM 214 O GLU A 17 -6.820 2.196 -0.505 1.00 0.00 O ATOM 215 CB GLU A 17 -9.060 1.162 -2.444 1.00 0.00 C ATOM 216 CG GLU A 17 -9.812 2.467 -2.647 1.00 0.00 C ATOM 217 CD GLU A 17 -11.077 2.547 -1.814 1.00 0.00 C ATOM 218 OE1 GLU A 17 -10.983 2.920 -0.626 1.00 0.00 O ATOM 219 OE2 GLU A 17 -12.161 2.236 -2.352 1.00 0.00 O ATOM 0 H GLU A 17 -6.327 0.026 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.323 1.562 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.432 0.424 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.274 0.780 -1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.159 3.302 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.068 2.574 -3.701 1.00 0.00 H new ATOM 226 N CYS A 18 -6.788 3.576 -2.281 1.00 0.00 N ATOM 227 CA CYS A 18 -6.282 4.715 -1.526 1.00 0.00 C ATOM 228 C CYS A 18 -7.353 5.266 -0.589 1.00 0.00 C ATOM 229 O CYS A 18 -8.460 5.594 -1.019 1.00 0.00 O ATOM 230 CB CYS A 18 -5.807 5.815 -2.478 1.00 0.00 C ATOM 231 SG CYS A 18 -4.919 7.177 -1.657 1.00 0.00 S ATOM 0 H CYS A 18 -6.945 3.763 -3.271 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.439 4.375 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.155 5.372 -3.231 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.670 6.223 -3.004 1.00 0.00 H new ATOM 236 N TYR A 19 -7.017 5.366 0.692 1.00 0.00 N ATOM 237 CA TYR A 19 -7.950 5.875 1.690 1.00 0.00 C ATOM 238 C TYR A 19 -7.894 7.398 1.761 1.00 0.00 C ATOM 239 O TYR A 19 -8.362 8.003 2.726 1.00 0.00 O ATOM 240 CB TYR A 19 -7.636 5.278 3.063 1.00 0.00 C ATOM 241 CG TYR A 19 -6.158 5.217 3.374 1.00 0.00 C ATOM 242 CD1 TYR A 19 -5.438 6.371 3.654 1.00 0.00 C ATOM 243 CD2 TYR A 19 -5.480 4.003 3.387 1.00 0.00 C ATOM 244 CE1 TYR A 19 -4.087 6.320 3.938 1.00 0.00 C ATOM 245 CE2 TYR A 19 -4.130 3.942 3.671 1.00 0.00 C ATOM 246 CZ TYR A 19 -3.438 5.103 3.945 1.00 0.00 C ATOM 247 OH TYR A 19 -2.092 5.048 4.229 1.00 0.00 O ATOM 0 H TYR A 19 -6.105 5.101 1.064 1.00 0.00 H new ATOM 0 HA TYR A 19 -8.957 5.580 1.394 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.136 5.870 3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -8.051 4.272 3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.943 7.325 3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.019 3.092 3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.542 7.227 4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.619 2.991 3.678 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.788 4.117 4.194 1.00 0.00 H new ATOM 257 N ILE A 20 -7.319 8.011 0.732 1.00 0.00 N ATOM 258 CA ILE A 20 -7.204 9.463 0.675 1.00 0.00 C ATOM 259 C ILE A 20 -8.076 10.041 -0.434 1.00 0.00 C ATOM 260 O ILE A 20 -8.819 10.998 -0.219 1.00 0.00 O ATOM 261 CB ILE A 20 -5.745 9.903 0.449 1.00 0.00 C ATOM 262 CG1 ILE A 20 -4.853 9.388 1.580 1.00 0.00 C ATOM 263 CG2 ILE A 20 -5.660 11.419 0.347 1.00 0.00 C ATOM 264 CD1 ILE A 20 -3.376 9.592 1.325 1.00 0.00 C ATOM 0 H ILE A 20 -6.925 7.525 -0.074 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.545 9.845 1.637 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.392 9.475 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.127 9.893 2.506 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.045 8.325 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.623 11.715 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.268 11.762 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.027 11.867 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.804 9.203 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.087 9.064 0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.171 10.656 1.207 1.00 0.00 H new ATOM 276 N CYS A 21 -7.980 9.452 -1.621 1.00 0.00 N ATOM 277 CA CYS A 21 -8.761 9.906 -2.766 1.00 0.00 C ATOM 278 C CYS A 21 -9.707 8.810 -3.249 1.00 0.00 C ATOM 279 O CYS A 21 -10.489 9.015 -4.178 1.00 0.00 O ATOM 280 CB CYS A 21 -7.834 10.334 -3.905 1.00 0.00 C ATOM 281 SG CYS A 21 -6.888 8.965 -4.647 1.00 0.00 S ATOM 0 H CYS A 21 -7.369 8.659 -1.815 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.357 10.762 -2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -8.429 10.814 -4.682 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.136 11.082 -3.530 1.00 0.00 H new ATOM 286 N HIS A 22 -9.628 7.646 -2.612 1.00 0.00 N ATOM 287 CA HIS A 22 -10.478 6.517 -2.976 1.00 0.00 C ATOM 288 C HIS A 22 -10.033 5.908 -4.303 1.00 0.00 C ATOM 289 O HIS A 22 -10.826 5.286 -5.008 1.00 0.00 O ATOM 290 CB HIS A 22 -11.938 6.959 -3.069 1.00 0.00 C ATOM 291 CG HIS A 22 -12.375 7.828 -1.930 1.00 0.00 C ATOM 292 ND1 HIS A 22 -12.710 7.329 -0.689 1.00 0.00 N ATOM 293 CD2 HIS A 22 -12.528 9.170 -1.849 1.00 0.00 C ATOM 294 CE1 HIS A 22 -13.052 8.327 0.106 1.00 0.00 C ATOM 295 NE2 HIS A 22 -12.950 9.455 -0.573 1.00 0.00 N ATOM 0 H HIS A 22 -8.985 7.460 -1.842 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.385 5.759 -2.198 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.087 7.498 -4.004 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -12.575 6.075 -3.106 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -12.351 9.884 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.362 8.236 1.136 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.152 10.386 -0.209 1.00 0.00 H new ATOM 303 N ALA A 23 -8.759 6.092 -4.635 1.00 0.00 N ATOM 304 CA ALA A 23 -8.209 5.560 -5.876 1.00 0.00 C ATOM 305 C ALA A 23 -7.889 4.075 -5.742 1.00 0.00 C ATOM 306 O ALA A 23 -6.896 3.698 -5.121 1.00 0.00 O ATOM 307 CB ALA A 23 -6.963 6.336 -6.276 1.00 0.00 C ATOM 0 H ALA A 23 -8.089 6.605 -4.062 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.961 5.674 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.563 5.928 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.219 7.385 -6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.213 6.251 -5.489 1.00 0.00 H new ATOM 313 N ARG A 24 -8.738 3.237 -6.328 1.00 0.00 N ATOM 314 CA ARG A 24 -8.546 1.792 -6.272 1.00 0.00 C ATOM 315 C ARG A 24 -7.243 1.390 -6.956 1.00 0.00 C ATOM 316 O ARG A 24 -6.699 2.138 -7.768 1.00 0.00 O ATOM 317 CB ARG A 24 -9.724 1.074 -6.933 1.00 0.00 C ATOM 318 CG ARG A 24 -11.073 1.435 -6.332 1.00 0.00 C ATOM 319 CD ARG A 24 -11.458 0.478 -5.215 1.00 0.00 C ATOM 320 NE ARG A 24 -12.906 0.365 -5.066 1.00 0.00 N ATOM 321 CZ ARG A 24 -13.655 -0.473 -5.774 1.00 0.00 C ATOM 322 NH1 ARG A 24 -13.094 -1.268 -6.675 1.00 0.00 N ATOM 323 NH2 ARG A 24 -14.967 -0.518 -5.581 1.00 0.00 N ATOM 0 H ARG A 24 -9.565 3.533 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.492 1.498 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.734 1.313 -7.996 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.575 -0.003 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.039 2.453 -5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.836 1.415 -7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.037 -0.506 -5.420 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.023 0.822 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.368 0.962 -4.380 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.086 -1.237 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.671 -1.911 -7.218 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.402 0.091 -4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.541 -1.162 -6.125 1.00 0.00 H new ATOM 337 N PHE A 25 -6.746 0.204 -6.620 1.00 0.00 N ATOM 338 CA PHE A 25 -5.506 -0.297 -7.200 1.00 0.00 C ATOM 339 C PHE A 25 -5.500 -1.823 -7.236 1.00 0.00 C ATOM 340 O PHE A 25 -5.722 -2.481 -6.218 1.00 0.00 O ATOM 341 CB PHE A 25 -4.303 0.210 -6.402 1.00 0.00 C ATOM 342 CG PHE A 25 -4.048 1.681 -6.572 1.00 0.00 C ATOM 343 CD1 PHE A 25 -3.264 2.145 -7.616 1.00 0.00 C ATOM 344 CD2 PHE A 25 -4.593 2.599 -5.689 1.00 0.00 C ATOM 345 CE1 PHE A 25 -3.027 3.498 -7.774 1.00 0.00 C ATOM 346 CE2 PHE A 25 -4.360 3.952 -5.842 1.00 0.00 C ATOM 347 CZ PHE A 25 -3.577 4.402 -6.887 1.00 0.00 C ATOM 0 H PHE A 25 -7.183 -0.428 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.437 0.074 -8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.462 -0.003 -5.345 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.415 -0.342 -6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.833 1.442 -8.314 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.207 2.253 -4.871 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.412 3.847 -8.590 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.789 4.657 -5.146 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.395 5.459 -7.010 1.00 0.00 H new ATOM 357 N THR A 26 -5.244 -2.380 -8.415 1.00 0.00 N ATOM 358 CA THR A 26 -5.210 -3.828 -8.585 1.00 0.00 C ATOM 359 C THR A 26 -4.002 -4.436 -7.882 1.00 0.00 C ATOM 360 O THR A 26 -3.981 -5.630 -7.588 1.00 0.00 O ATOM 361 CB THR A 26 -5.173 -4.217 -10.075 1.00 0.00 C ATOM 362 OG1 THR A 26 -6.108 -3.422 -10.813 1.00 0.00 O ATOM 363 CG2 THR A 26 -5.500 -5.692 -10.257 1.00 0.00 C ATOM 0 H THR A 26 -5.057 -1.851 -9.267 1.00 0.00 H new ATOM 0 HA THR A 26 -6.123 -4.221 -8.137 1.00 0.00 H new ATOM 0 HB THR A 26 -4.166 -4.035 -10.450 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.077 -3.675 -11.759 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.468 -5.944 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.770 -6.296 -9.718 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.497 -5.895 -9.866 1.00 0.00 H new ATOM 371 N GLN A 27 -2.998 -3.606 -7.616 1.00 0.00 N ATOM 372 CA GLN A 27 -1.786 -4.064 -6.947 1.00 0.00 C ATOM 373 C GLN A 27 -1.516 -3.245 -5.690 1.00 0.00 C ATOM 374 O GLN A 27 -2.207 -2.264 -5.415 1.00 0.00 O ATOM 375 CB GLN A 27 -0.590 -3.974 -7.896 1.00 0.00 C ATOM 376 CG GLN A 27 -0.807 -4.691 -9.219 1.00 0.00 C ATOM 377 CD GLN A 27 0.469 -4.825 -10.026 1.00 0.00 C ATOM 378 OE1 GLN A 27 1.248 -3.877 -10.140 1.00 0.00 O ATOM 379 NE2 GLN A 27 0.691 -6.005 -10.592 1.00 0.00 N ATOM 0 H GLN A 27 -3.000 -2.614 -7.853 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.932 -5.104 -6.656 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.371 -2.924 -8.093 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.286 -4.395 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.217 -5.683 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.548 -4.147 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.019 -6.763 -10.472 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.534 -6.154 -11.147 1.00 0.00 H new ATOM 388 N SER A 28 -0.506 -3.654 -4.928 1.00 0.00 N ATOM 389 CA SER A 28 -0.147 -2.960 -3.697 1.00 0.00 C ATOM 390 C SER A 28 0.891 -1.875 -3.968 1.00 0.00 C ATOM 391 O SER A 28 0.708 -0.718 -3.592 1.00 0.00 O ATOM 392 CB SER A 28 0.394 -3.953 -2.666 1.00 0.00 C ATOM 393 OG SER A 28 1.627 -4.507 -3.090 1.00 0.00 O ATOM 0 H SER A 28 0.078 -4.463 -5.142 1.00 0.00 H new ATOM 0 HA SER A 28 -1.046 -2.488 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.528 -3.451 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.332 -4.751 -2.509 1.00 0.00 H new ATOM 0 HG SER A 28 1.953 -5.137 -2.413 1.00 0.00 H new ATOM 399 N GLY A 29 1.982 -2.259 -4.623 1.00 0.00 N ATOM 400 CA GLY A 29 3.034 -1.308 -4.933 1.00 0.00 C ATOM 401 C GLY A 29 2.502 -0.046 -5.583 1.00 0.00 C ATOM 402 O GLY A 29 2.838 1.064 -5.169 1.00 0.00 O ATOM 0 H GLY A 29 2.156 -3.211 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.564 -1.046 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.759 -1.777 -5.598 1.00 0.00 H new ATOM 406 N THR A 30 1.669 -0.215 -6.605 1.00 0.00 N ATOM 407 CA THR A 30 1.092 0.919 -7.315 1.00 0.00 C ATOM 408 C THR A 30 0.401 1.877 -6.352 1.00 0.00 C ATOM 409 O THR A 30 0.625 3.087 -6.397 1.00 0.00 O ATOM 410 CB THR A 30 0.077 0.459 -8.379 1.00 0.00 C ATOM 411 OG1 THR A 30 0.685 -0.497 -9.255 1.00 0.00 O ATOM 412 CG2 THR A 30 -0.435 1.642 -9.187 1.00 0.00 C ATOM 0 H THR A 30 1.379 -1.126 -6.959 1.00 0.00 H new ATOM 0 HA THR A 30 1.916 1.435 -7.808 1.00 0.00 H new ATOM 0 HB THR A 30 -0.767 -0.003 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.033 -0.786 -9.927 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.150 1.292 -9.932 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.924 2.353 -8.521 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.401 2.130 -9.688 1.00 0.00 H new ATOM 420 N MET A 31 -0.439 1.329 -5.480 1.00 0.00 N ATOM 421 CA MET A 31 -1.161 2.137 -4.504 1.00 0.00 C ATOM 422 C MET A 31 -0.193 2.931 -3.633 1.00 0.00 C ATOM 423 O MET A 31 -0.208 4.162 -3.633 1.00 0.00 O ATOM 424 CB MET A 31 -2.043 1.246 -3.626 1.00 0.00 C ATOM 425 CG MET A 31 -3.054 2.021 -2.796 1.00 0.00 C ATOM 426 SD MET A 31 -3.864 0.996 -1.553 1.00 0.00 S ATOM 427 CE MET A 31 -2.446 0.245 -0.757 1.00 0.00 C ATOM 0 H MET A 31 -0.636 0.330 -5.429 1.00 0.00 H new ATOM 0 HA MET A 31 -1.793 2.840 -5.047 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.574 0.536 -4.260 1.00 0.00 H new ATOM 0 HB3 MET A 31 -1.407 0.664 -2.959 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.552 2.854 -2.304 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.808 2.449 -3.456 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.742 -0.153 0.213 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.065 -0.564 -1.380 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.667 0.995 -0.619 1.00 0.00 H new ATOM 437 N LYS A 32 0.648 2.219 -2.890 1.00 0.00 N ATOM 438 CA LYS A 32 1.624 2.856 -2.015 1.00 0.00 C ATOM 439 C LYS A 32 2.340 3.994 -2.735 1.00 0.00 C ATOM 440 O LYS A 32 2.436 5.106 -2.218 1.00 0.00 O ATOM 441 CB LYS A 32 2.645 1.829 -1.521 1.00 0.00 C ATOM 442 CG LYS A 32 2.018 0.638 -0.817 1.00 0.00 C ATOM 443 CD LYS A 32 3.036 -0.462 -0.568 1.00 0.00 C ATOM 444 CE LYS A 32 2.384 -1.699 0.033 1.00 0.00 C ATOM 445 NZ LYS A 32 3.345 -2.489 0.852 1.00 0.00 N ATOM 0 H LYS A 32 0.673 1.199 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 32 1.091 3.270 -1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.229 1.473 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.340 2.319 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.589 0.960 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.199 0.247 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.525 -0.726 -1.506 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.812 -0.096 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.539 -1.399 0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.987 -2.325 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.863 -3.323 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.139 -2.797 0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.705 -1.900 1.630 1.00 0.00 H new ATOM 459 N MET A 33 2.840 3.708 -3.933 1.00 0.00 N ATOM 460 CA MET A 33 3.545 4.709 -4.725 1.00 0.00 C ATOM 461 C MET A 33 2.648 5.909 -5.008 1.00 0.00 C ATOM 462 O MET A 33 3.121 7.043 -5.101 1.00 0.00 O ATOM 463 CB MET A 33 4.031 4.099 -6.042 1.00 0.00 C ATOM 464 CG MET A 33 5.132 3.066 -5.864 1.00 0.00 C ATOM 465 SD MET A 33 6.782 3.786 -5.963 1.00 0.00 S ATOM 466 CE MET A 33 7.266 3.295 -7.616 1.00 0.00 C ATOM 0 H MET A 33 2.770 2.792 -4.376 1.00 0.00 H new ATOM 0 HA MET A 33 4.407 5.049 -4.151 1.00 0.00 H new ATOM 0 HB2 MET A 33 3.187 3.634 -6.551 1.00 0.00 H new ATOM 0 HB3 MET A 33 4.394 4.897 -6.690 1.00 0.00 H new ATOM 0 HG2 MET A 33 5.011 2.575 -4.898 1.00 0.00 H new ATOM 0 HG3 MET A 33 5.029 2.296 -6.628 1.00 0.00 H new ATOM 0 HE1 MET A 33 8.268 3.667 -7.827 1.00 0.00 H new ATOM 0 HE2 MET A 33 7.260 2.207 -7.689 1.00 0.00 H new ATOM 0 HE3 MET A 33 6.565 3.711 -8.339 1.00 0.00 H new ATOM 476 N HIS A 34 1.350 5.654 -5.144 1.00 0.00 N ATOM 477 CA HIS A 34 0.386 6.714 -5.416 1.00 0.00 C ATOM 478 C HIS A 34 0.165 7.578 -4.177 1.00 0.00 C ATOM 479 O HIS A 34 0.039 8.799 -4.275 1.00 0.00 O ATOM 480 CB HIS A 34 -0.943 6.118 -5.880 1.00 0.00 C ATOM 481 CG HIS A 34 -2.083 7.087 -5.833 1.00 0.00 C ATOM 482 ND1 HIS A 34 -2.414 7.911 -6.888 1.00 0.00 N ATOM 483 CD2 HIS A 34 -2.973 7.361 -4.851 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.457 8.651 -6.556 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.816 8.336 -5.325 1.00 0.00 N ATOM 0 H HIS A 34 0.942 4.722 -5.070 1.00 0.00 H new ATOM 0 HA HIS A 34 0.789 7.343 -6.209 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.831 5.751 -6.900 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.183 5.257 -5.256 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.929 7.944 -7.785 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.013 6.899 -3.876 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.935 9.388 -7.185 1.00 0.00 H new ATOM 493 N ILE A 35 0.118 6.936 -3.015 1.00 0.00 N ATOM 494 CA ILE A 35 -0.087 7.646 -1.759 1.00 0.00 C ATOM 495 C ILE A 35 1.148 8.453 -1.375 1.00 0.00 C ATOM 496 O ILE A 35 1.046 9.486 -0.711 1.00 0.00 O ATOM 497 CB ILE A 35 -0.428 6.675 -0.613 1.00 0.00 C ATOM 498 CG1 ILE A 35 -1.623 5.799 -0.995 1.00 0.00 C ATOM 499 CG2 ILE A 35 -0.717 7.446 0.666 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.009 4.802 0.075 1.00 0.00 C ATOM 0 H ILE A 35 0.219 5.926 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.927 8.323 -1.913 1.00 0.00 H new ATOM 0 HB ILE A 35 0.431 6.028 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.479 6.439 -1.209 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.390 5.261 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.956 6.746 1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.160 8.030 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.562 8.115 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.863 4.216 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.168 4.137 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.274 5.334 0.989 1.00 0.00 H new ATOM 512 N LEU A 36 2.314 7.978 -1.799 1.00 0.00 N ATOM 513 CA LEU A 36 3.570 8.657 -1.502 1.00 0.00 C ATOM 514 C LEU A 36 3.959 9.603 -2.634 1.00 0.00 C ATOM 515 O LEU A 36 4.904 10.381 -2.507 1.00 0.00 O ATOM 516 CB LEU A 36 4.684 7.634 -1.272 1.00 0.00 C ATOM 517 CG LEU A 36 5.381 7.108 -2.527 1.00 0.00 C ATOM 518 CD1 LEU A 36 6.573 7.983 -2.882 1.00 0.00 C ATOM 519 CD2 LEU A 36 5.817 5.663 -2.328 1.00 0.00 C ATOM 0 H LEU A 36 2.416 7.125 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 36 3.431 9.244 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.436 8.085 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.265 6.786 -0.731 1.00 0.00 H new ATOM 0 HG LEU A 36 4.673 7.142 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.057 7.593 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.234 9.002 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.284 7.982 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.311 5.304 -3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.509 5.604 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.943 5.044 -2.123 1.00 0.00 H new ATOM 531 N GLN A 37 3.222 9.532 -3.737 1.00 0.00 N ATOM 532 CA GLN A 37 3.489 10.383 -4.890 1.00 0.00 C ATOM 533 C GLN A 37 2.500 11.542 -4.952 1.00 0.00 C ATOM 534 O GLN A 37 2.869 12.672 -5.275 1.00 0.00 O ATOM 535 CB GLN A 37 3.417 9.566 -6.182 1.00 0.00 C ATOM 536 CG GLN A 37 4.651 8.714 -6.432 1.00 0.00 C ATOM 537 CD GLN A 37 5.783 9.499 -7.066 1.00 0.00 C ATOM 538 OE1 GLN A 37 5.554 10.485 -7.766 1.00 0.00 O ATOM 539 NE2 GLN A 37 7.014 9.064 -6.822 1.00 0.00 N ATOM 0 H GLN A 37 2.435 8.894 -3.857 1.00 0.00 H new ATOM 0 HA GLN A 37 4.494 10.792 -4.783 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.540 8.919 -6.145 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.277 10.244 -7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.992 8.290 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.386 7.878 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.158 8.242 -6.236 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.816 9.552 -7.221 1.00 0.00 H new ATOM 548 N LYS A 38 1.240 11.255 -4.642 1.00 0.00 N ATOM 549 CA LYS A 38 0.196 12.273 -4.661 1.00 0.00 C ATOM 550 C LYS A 38 -0.063 12.813 -3.258 1.00 0.00 C ATOM 551 O LYS A 38 -0.387 13.988 -3.084 1.00 0.00 O ATOM 552 CB LYS A 38 -1.096 11.697 -5.244 1.00 0.00 C ATOM 553 CG LYS A 38 -0.926 11.104 -6.632 1.00 0.00 C ATOM 554 CD LYS A 38 -0.663 12.182 -7.671 1.00 0.00 C ATOM 555 CE LYS A 38 0.070 11.623 -8.881 1.00 0.00 C ATOM 556 NZ LYS A 38 -0.016 12.538 -10.052 1.00 0.00 N ATOM 0 H LYS A 38 0.917 10.325 -4.374 1.00 0.00 H new ATOM 0 HA LYS A 38 0.536 13.095 -5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.476 10.926 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.849 12.484 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.099 10.394 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.823 10.547 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.609 12.622 -7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.073 12.983 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.117 11.456 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.352 10.654 -9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.496 12.122 -10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.014 12.678 -10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.410 13.455 -9.808 1.00 0.00 H new ATOM 570 N HIS A 39 0.081 11.947 -2.260 1.00 0.00 N ATOM 571 CA HIS A 39 -0.135 12.338 -0.872 1.00 0.00 C ATOM 572 C HIS A 39 1.154 12.216 -0.065 1.00 0.00 C ATOM 573 O HIS A 39 1.150 11.717 1.061 1.00 0.00 O ATOM 574 CB HIS A 39 -1.229 11.476 -0.241 1.00 0.00 C ATOM 575 CG HIS A 39 -2.467 11.371 -1.079 1.00 0.00 C ATOM 576 ND1 HIS A 39 -3.251 12.459 -1.402 1.00 0.00 N ATOM 577 CD2 HIS A 39 -3.053 10.300 -1.662 1.00 0.00 C ATOM 578 CE1 HIS A 39 -4.267 12.060 -2.146 1.00 0.00 C ATOM 579 NE2 HIS A 39 -4.170 10.754 -2.318 1.00 0.00 N ATOM 0 H HIS A 39 0.346 10.970 -2.387 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.452 13.381 -0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.835 10.476 -0.063 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -1.493 11.892 0.731 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -3.074 13.421 -1.112 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -2.706 9.278 -1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.045 12.694 -2.546 1.00 0.00 H new ATOM 587 N THR A 40 2.257 12.672 -0.649 1.00 0.00 N ATOM 588 CA THR A 40 3.554 12.612 0.014 1.00 0.00 C ATOM 589 C THR A 40 3.553 13.431 1.300 1.00 0.00 C ATOM 590 O THR A 40 4.259 13.106 2.254 1.00 0.00 O ATOM 591 CB THR A 40 4.679 13.122 -0.905 1.00 0.00 C ATOM 592 OG1 THR A 40 5.901 13.238 -0.167 1.00 0.00 O ATOM 593 CG2 THR A 40 4.316 14.470 -1.509 1.00 0.00 C ATOM 0 H THR A 40 2.278 13.087 -1.580 1.00 0.00 H new ATOM 0 HA THR A 40 3.738 11.565 0.254 1.00 0.00 H new ATOM 0 HB THR A 40 4.810 12.403 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.611 13.561 -0.759 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.126 14.810 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.402 14.372 -2.095 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.159 15.196 -0.711 1.00 0.00 H new ATOM 601 N GLU A 41 2.755 14.494 1.318 1.00 0.00 N ATOM 602 CA GLU A 41 2.663 15.360 2.488 1.00 0.00 C ATOM 603 C GLU A 41 1.475 14.968 3.362 1.00 0.00 C ATOM 604 O GLU A 41 1.554 15.011 4.589 1.00 0.00 O ATOM 605 CB GLU A 41 2.534 16.823 2.059 1.00 0.00 C ATOM 606 CG GLU A 41 2.303 17.779 3.217 1.00 0.00 C ATOM 607 CD GLU A 41 2.320 19.232 2.786 1.00 0.00 C ATOM 608 OE1 GLU A 41 1.635 19.565 1.796 1.00 0.00 O ATOM 609 OE2 GLU A 41 3.018 20.037 3.438 1.00 0.00 O ATOM 0 H GLU A 41 2.163 14.776 0.536 1.00 0.00 H new ATOM 0 HA GLU A 41 3.576 15.239 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.440 17.119 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.708 16.914 1.353 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.344 17.554 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.071 17.619 3.974 1.00 0.00 H new ATOM 616 N ASN A 42 0.376 14.587 2.721 1.00 0.00 N ATOM 617 CA ASN A 42 -0.829 14.189 3.439 1.00 0.00 C ATOM 618 C ASN A 42 -0.671 12.794 4.037 1.00 0.00 C ATOM 619 O ASN A 42 -1.471 11.898 3.770 1.00 0.00 O ATOM 620 CB ASN A 42 -2.040 14.220 2.504 1.00 0.00 C ATOM 621 CG ASN A 42 -3.322 14.578 3.229 1.00 0.00 C ATOM 622 OD1 ASN A 42 -4.208 13.739 3.398 1.00 0.00 O ATOM 623 ND2 ASN A 42 -3.428 15.829 3.662 1.00 0.00 N ATOM 0 H ASN A 42 0.295 14.545 1.705 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.987 14.898 4.252 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.862 14.943 1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.154 13.245 2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.268 16.128 4.157 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.669 16.491 3.500 1.00 0.00 H new ATOM 630 N VAL A 43 0.368 12.618 4.847 1.00 0.00 N ATOM 631 CA VAL A 43 0.632 11.334 5.485 1.00 0.00 C ATOM 632 C VAL A 43 1.743 11.453 6.522 1.00 0.00 C ATOM 633 O VAL A 43 2.662 12.257 6.372 1.00 0.00 O ATOM 634 CB VAL A 43 1.024 10.263 4.449 1.00 0.00 C ATOM 635 CG1 VAL A 43 2.258 10.698 3.673 1.00 0.00 C ATOM 636 CG2 VAL A 43 1.257 8.923 5.131 1.00 0.00 C ATOM 0 H VAL A 43 1.041 13.349 5.077 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.291 11.031 5.979 1.00 0.00 H new ATOM 0 HB VAL A 43 0.202 10.147 3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.520 9.929 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.050 11.633 3.153 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.089 10.843 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.533 8.178 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.061 9.021 5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.344 8.609 5.637 1.00 0.00 H new ATOM 646 N ALA A 44 1.651 10.647 7.574 1.00 0.00 N ATOM 647 CA ALA A 44 2.650 10.659 8.636 1.00 0.00 C ATOM 648 C ALA A 44 3.800 9.710 8.319 1.00 0.00 C ATOM 649 O ALA A 44 4.900 10.143 7.975 1.00 0.00 O ATOM 650 CB ALA A 44 2.011 10.291 9.967 1.00 0.00 C ATOM 0 H ALA A 44 0.895 9.977 7.714 1.00 0.00 H new ATOM 0 HA ALA A 44 3.056 11.668 8.707 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.769 10.304 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.229 11.011 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.577 9.294 9.899 1.00 0.00 H new ATOM 656 N LYS A 45 3.540 8.412 8.437 1.00 0.00 N ATOM 657 CA LYS A 45 4.553 7.400 8.162 1.00 0.00 C ATOM 658 C LYS A 45 4.522 6.983 6.695 1.00 0.00 C ATOM 659 O LYS A 45 3.476 7.033 6.048 1.00 0.00 O ATOM 660 CB LYS A 45 4.337 6.177 9.056 1.00 0.00 C ATOM 661 CG LYS A 45 4.595 6.446 10.528 1.00 0.00 C ATOM 662 CD LYS A 45 4.561 5.164 11.344 1.00 0.00 C ATOM 663 CE LYS A 45 3.136 4.758 11.684 1.00 0.00 C ATOM 664 NZ LYS A 45 2.621 5.486 12.876 1.00 0.00 N ATOM 0 H LYS A 45 2.635 8.036 8.722 1.00 0.00 H new ATOM 0 HA LYS A 45 5.530 7.832 8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.313 5.825 8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.993 5.373 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.566 6.928 10.646 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.846 7.141 10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.045 4.363 10.785 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.131 5.301 12.263 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.488 4.956 10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.099 3.685 11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.647 5.181 13.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.224 5.277 13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.632 6.509 12.690 1.00 0.00 H new ATOM 678 N PHE A 46 5.675 6.571 6.178 1.00 0.00 N ATOM 679 CA PHE A 46 5.779 6.145 4.787 1.00 0.00 C ATOM 680 C PHE A 46 5.959 4.632 4.694 1.00 0.00 C ATOM 681 O PHE A 46 6.341 3.980 5.666 1.00 0.00 O ATOM 682 CB PHE A 46 6.950 6.852 4.101 1.00 0.00 C ATOM 683 CG PHE A 46 6.759 8.336 3.968 1.00 0.00 C ATOM 684 CD1 PHE A 46 6.538 9.122 5.087 1.00 0.00 C ATOM 685 CD2 PHE A 46 6.802 8.944 2.724 1.00 0.00 C ATOM 686 CE1 PHE A 46 6.361 10.488 4.967 1.00 0.00 C ATOM 687 CE2 PHE A 46 6.626 10.309 2.598 1.00 0.00 C ATOM 688 CZ PHE A 46 6.407 11.082 3.721 1.00 0.00 C ATOM 0 H PHE A 46 6.550 6.523 6.701 1.00 0.00 H new ATOM 0 HA PHE A 46 4.853 6.415 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 46 7.862 6.660 4.667 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.094 6.422 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.504 8.663 6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.975 8.344 1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.187 11.090 5.847 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.660 10.771 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.272 12.149 3.625 1.00 0.00 H new ATOM 698 N HIS A 47 5.680 4.081 3.517 1.00 0.00 N ATOM 699 CA HIS A 47 5.810 2.645 3.296 1.00 0.00 C ATOM 700 C HIS A 47 6.533 2.361 1.982 1.00 0.00 C ATOM 701 O HIS A 47 6.132 2.846 0.924 1.00 0.00 O ATOM 702 CB HIS A 47 4.432 1.982 3.287 1.00 0.00 C ATOM 703 CG HIS A 47 3.927 1.633 4.653 1.00 0.00 C ATOM 704 ND1 HIS A 47 3.697 0.336 5.062 1.00 0.00 N ATOM 705 CD2 HIS A 47 3.609 2.420 5.707 1.00 0.00 C ATOM 706 CE1 HIS A 47 3.257 0.342 6.308 1.00 0.00 C ATOM 707 NE2 HIS A 47 3.195 1.594 6.723 1.00 0.00 N ATOM 0 H HIS A 47 5.363 4.606 2.702 1.00 0.00 H new ATOM 0 HA HIS A 47 6.400 2.228 4.113 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.719 2.651 2.805 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.478 1.076 2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 47 3.670 3.498 5.743 1.00 0.00 H new ATOM 0 HE1 HIS A 47 2.993 -0.530 6.889 1.00 0.00 H new ATOM 0 HE2 HIS A 47 2.889 1.898 7.647 1.00 0.00 H new ATOM 715 N CYS A 48 7.600 1.573 2.058 1.00 0.00 N ATOM 716 CA CYS A 48 8.380 1.225 0.876 1.00 0.00 C ATOM 717 C CYS A 48 7.489 0.618 -0.204 1.00 0.00 C ATOM 718 O CYS A 48 6.623 -0.215 0.067 1.00 0.00 O ATOM 719 CB CYS A 48 9.494 0.244 1.246 1.00 0.00 C ATOM 720 SG CYS A 48 10.469 -0.343 -0.177 1.00 0.00 S ATOM 0 H CYS A 48 7.945 1.163 2.926 1.00 0.00 H new ATOM 0 HA CYS A 48 8.826 2.139 0.483 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.164 0.724 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.054 -0.616 1.751 1.00 0.00 H new ATOM 725 N PRO A 49 7.705 1.043 -1.457 1.00 0.00 N ATOM 726 CA PRO A 49 6.933 0.554 -2.603 1.00 0.00 C ATOM 727 C PRO A 49 7.250 -0.900 -2.937 1.00 0.00 C ATOM 728 O PRO A 49 6.794 -1.428 -3.952 1.00 0.00 O ATOM 729 CB PRO A 49 7.373 1.473 -3.745 1.00 0.00 C ATOM 730 CG PRO A 49 8.732 1.942 -3.353 1.00 0.00 C ATOM 731 CD PRO A 49 8.720 2.034 -1.852 1.00 0.00 C ATOM 0 HA PRO A 49 5.860 0.574 -2.411 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.397 0.940 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.685 2.310 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.499 1.247 -3.695 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.956 2.910 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.696 1.800 -1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.457 3.036 -1.513 1.00 0.00 H new ATOM 739 N HIS A 50 8.034 -1.543 -2.078 1.00 0.00 N ATOM 740 CA HIS A 50 8.411 -2.937 -2.282 1.00 0.00 C ATOM 741 C HIS A 50 8.149 -3.760 -1.024 1.00 0.00 C ATOM 742 O HIS A 50 7.208 -4.552 -0.973 1.00 0.00 O ATOM 743 CB HIS A 50 9.886 -3.037 -2.673 1.00 0.00 C ATOM 744 CG HIS A 50 10.267 -2.136 -3.807 1.00 0.00 C ATOM 745 ND1 HIS A 50 9.621 -2.145 -5.025 1.00 0.00 N ATOM 746 CD2 HIS A 50 11.234 -1.194 -3.903 1.00 0.00 C ATOM 747 CE1 HIS A 50 10.174 -1.248 -5.822 1.00 0.00 C ATOM 748 NE2 HIS A 50 11.156 -0.656 -5.164 1.00 0.00 N ATOM 0 H HIS A 50 8.421 -1.121 -1.234 1.00 0.00 H new ATOM 0 HA HIS A 50 7.801 -3.338 -3.091 1.00 0.00 H new ATOM 0 HB2 HIS A 50 10.501 -2.796 -1.806 1.00 0.00 H new ATOM 0 HB3 HIS A 50 10.112 -4.068 -2.947 1.00 0.00 H new ATOM 0 HD1 HIS A 50 8.838 -2.750 -5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 50 11.937 -0.917 -3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.875 -1.035 -6.838 1.00 0.00 H new ATOM 756 N CYS A 51 8.989 -3.569 -0.012 1.00 0.00 N ATOM 757 CA CYS A 51 8.849 -4.293 1.245 1.00 0.00 C ATOM 758 C CYS A 51 8.103 -3.454 2.277 1.00 0.00 C ATOM 759 O CYS A 51 7.689 -2.329 1.996 1.00 0.00 O ATOM 760 CB CYS A 51 10.226 -4.684 1.788 1.00 0.00 C ATOM 761 SG CYS A 51 11.216 -3.277 2.385 1.00 0.00 S ATOM 0 H CYS A 51 9.774 -2.918 -0.038 1.00 0.00 H new ATOM 0 HA CYS A 51 8.271 -5.197 1.052 1.00 0.00 H new ATOM 0 HB2 CYS A 51 10.095 -5.394 2.604 1.00 0.00 H new ATOM 0 HB3 CYS A 51 10.781 -5.199 1.004 1.00 0.00 H new ATOM 766 N ASP A 52 7.935 -4.008 3.473 1.00 0.00 N ATOM 767 CA ASP A 52 7.240 -3.310 4.549 1.00 0.00 C ATOM 768 C ASP A 52 8.232 -2.608 5.471 1.00 0.00 C ATOM 769 O ASP A 52 8.492 -3.066 6.585 1.00 0.00 O ATOM 770 CB ASP A 52 6.384 -4.291 5.351 1.00 0.00 C ATOM 771 CG ASP A 52 7.082 -5.616 5.580 1.00 0.00 C ATOM 772 OD1 ASP A 52 7.079 -6.456 4.656 1.00 0.00 O ATOM 773 OD2 ASP A 52 7.631 -5.815 6.685 1.00 0.00 O ATOM 0 H ASP A 52 8.271 -4.938 3.722 1.00 0.00 H new ATOM 0 HA ASP A 52 6.592 -2.556 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.132 -3.846 6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.446 -4.464 4.824 1.00 0.00 H new ATOM 778 N THR A 53 8.785 -1.495 5.000 1.00 0.00 N ATOM 779 CA THR A 53 9.749 -0.731 5.781 1.00 0.00 C ATOM 780 C THR A 53 9.305 0.719 5.938 1.00 0.00 C ATOM 781 O THR A 53 9.173 1.448 4.955 1.00 0.00 O ATOM 782 CB THR A 53 11.146 -0.760 5.133 1.00 0.00 C ATOM 783 OG1 THR A 53 11.703 -2.076 5.228 1.00 0.00 O ATOM 784 CG2 THR A 53 12.076 0.239 5.805 1.00 0.00 C ATOM 0 H THR A 53 8.581 -1.103 4.081 1.00 0.00 H new ATOM 0 HA THR A 53 9.802 -1.200 6.763 1.00 0.00 H new ATOM 0 HB THR A 53 11.041 -0.485 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.696 -2.499 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 53 13.056 0.200 5.330 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.664 1.243 5.705 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.175 -0.010 6.862 1.00 0.00 H new ATOM 792 N VAL A 54 9.077 1.132 7.181 1.00 0.00 N ATOM 793 CA VAL A 54 8.649 2.496 7.467 1.00 0.00 C ATOM 794 C VAL A 54 9.745 3.498 7.127 1.00 0.00 C ATOM 795 O VAL A 54 10.909 3.303 7.478 1.00 0.00 O ATOM 796 CB VAL A 54 8.258 2.662 8.948 1.00 0.00 C ATOM 797 CG1 VAL A 54 7.905 4.112 9.247 1.00 0.00 C ATOM 798 CG2 VAL A 54 7.100 1.740 9.300 1.00 0.00 C ATOM 0 H VAL A 54 9.182 0.541 8.006 1.00 0.00 H new ATOM 0 HA VAL A 54 7.776 2.692 6.844 1.00 0.00 H new ATOM 0 HB VAL A 54 9.113 2.386 9.565 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.631 4.211 10.297 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.765 4.747 9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.065 4.418 8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.837 1.871 10.350 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.239 1.983 8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.393 0.705 9.125 1.00 0.00 H new ATOM 808 N ILE A 55 9.366 4.572 6.441 1.00 0.00 N ATOM 809 CA ILE A 55 10.317 5.606 6.055 1.00 0.00 C ATOM 810 C ILE A 55 9.861 6.980 6.536 1.00 0.00 C ATOM 811 O ILE A 55 9.378 7.795 5.751 1.00 0.00 O ATOM 812 CB ILE A 55 10.513 5.649 4.528 1.00 0.00 C ATOM 813 CG1 ILE A 55 10.944 4.275 4.008 1.00 0.00 C ATOM 814 CG2 ILE A 55 11.539 6.708 4.154 1.00 0.00 C ATOM 815 CD1 ILE A 55 12.292 3.828 4.530 1.00 0.00 C ATOM 0 H ILE A 55 8.407 4.748 6.142 1.00 0.00 H new ATOM 0 HA ILE A 55 11.266 5.354 6.528 1.00 0.00 H new ATOM 0 HB ILE A 55 9.563 5.912 4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.192 3.537 4.288 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.975 4.301 2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.666 6.725 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.195 7.684 4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.493 6.474 4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.534 2.847 4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.055 4.545 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.260 3.769 5.618 1.00 0.00 H new ATOM 827 N ALA A 56 10.021 7.230 7.831 1.00 0.00 N ATOM 828 CA ALA A 56 9.630 8.506 8.417 1.00 0.00 C ATOM 829 C ALA A 56 9.814 9.646 7.421 1.00 0.00 C ATOM 830 O ALA A 56 8.842 10.250 6.968 1.00 0.00 O ATOM 831 CB ALA A 56 10.431 8.773 9.683 1.00 0.00 C ATOM 0 H ALA A 56 10.419 6.565 8.495 1.00 0.00 H new ATOM 0 HA ALA A 56 8.572 8.451 8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.129 9.729 10.110 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.245 7.978 10.405 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.494 8.803 9.442 1.00 0.00 H new ATOM 837 N ARG A 57 11.067 9.936 7.086 1.00 0.00 N ATOM 838 CA ARG A 57 11.379 11.005 6.145 1.00 0.00 C ATOM 839 C ARG A 57 11.177 10.539 4.706 1.00 0.00 C ATOM 840 O ARG A 57 11.477 9.395 4.364 1.00 0.00 O ATOM 841 CB ARG A 57 12.819 11.482 6.341 1.00 0.00 C ATOM 842 CG ARG A 57 13.230 12.589 5.383 1.00 0.00 C ATOM 843 CD ARG A 57 12.857 13.960 5.923 1.00 0.00 C ATOM 844 NE ARG A 57 13.562 14.269 7.165 1.00 0.00 N ATOM 845 CZ ARG A 57 13.749 15.505 7.615 1.00 0.00 C ATOM 846 NH1 ARG A 57 13.287 16.541 6.930 1.00 0.00 N ATOM 847 NH2 ARG A 57 14.400 15.705 8.754 1.00 0.00 N ATOM 0 H ARG A 57 11.883 9.445 7.452 1.00 0.00 H new ATOM 0 HA ARG A 57 10.699 11.835 6.338 1.00 0.00 H new ATOM 0 HB2 ARG A 57 12.939 11.836 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.494 10.635 6.215 1.00 0.00 H new ATOM 0 HG2 ARG A 57 14.306 12.544 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.748 12.434 4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.089 14.719 5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.782 14.001 6.097 1.00 0.00 H new ATOM 0 HE ARG A 57 13.930 13.494 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.786 16.391 6.054 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.432 17.489 7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 57 14.757 14.910 9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 57 14.544 16.654 9.100 1.00 0.00 H new ATOM 861 N LYS A 58 10.667 11.433 3.866 1.00 0.00 N ATOM 862 CA LYS A 58 10.425 11.116 2.464 1.00 0.00 C ATOM 863 C LYS A 58 11.735 10.826 1.738 1.00 0.00 C ATOM 864 O LYS A 58 11.943 9.725 1.229 1.00 0.00 O ATOM 865 CB LYS A 58 9.694 12.272 1.776 1.00 0.00 C ATOM 866 CG LYS A 58 9.707 12.183 0.260 1.00 0.00 C ATOM 867 CD LYS A 58 8.698 11.167 -0.248 1.00 0.00 C ATOM 868 CE LYS A 58 8.794 10.993 -1.756 1.00 0.00 C ATOM 869 NZ LYS A 58 10.145 10.529 -2.176 1.00 0.00 N ATOM 0 H LYS A 58 10.413 12.384 4.133 1.00 0.00 H new ATOM 0 HA LYS A 58 9.801 10.223 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.660 12.294 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.152 13.213 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 58 9.484 13.162 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.705 11.907 -0.081 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.868 10.208 0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.691 11.488 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.044 10.275 -2.087 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.567 11.940 -2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.100 10.166 -3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.814 11.324 -2.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.466 9.772 -1.539 1.00 0.00 H new ATOM 883 N SER A 59 12.616 11.820 1.696 1.00 0.00 N ATOM 884 CA SER A 59 13.905 11.672 1.031 1.00 0.00 C ATOM 885 C SER A 59 14.566 10.352 1.415 1.00 0.00 C ATOM 886 O SER A 59 15.121 9.653 0.567 1.00 0.00 O ATOM 887 CB SER A 59 14.826 12.840 1.391 1.00 0.00 C ATOM 888 OG SER A 59 16.013 12.810 0.618 1.00 0.00 O ATOM 0 H SER A 59 12.461 12.737 2.115 1.00 0.00 H new ATOM 0 HA SER A 59 13.733 11.673 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.304 13.783 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.077 12.796 2.451 1.00 0.00 H new ATOM 0 HG SER A 59 16.584 13.567 0.866 1.00 0.00 H new ATOM 894 N ASP A 60 14.502 10.017 2.699 1.00 0.00 N ATOM 895 CA ASP A 60 15.093 8.780 3.197 1.00 0.00 C ATOM 896 C ASP A 60 14.667 7.591 2.341 1.00 0.00 C ATOM 897 O ASP A 60 15.473 6.710 2.038 1.00 0.00 O ATOM 898 CB ASP A 60 14.688 8.547 4.653 1.00 0.00 C ATOM 899 CG ASP A 60 15.463 7.413 5.295 1.00 0.00 C ATOM 900 OD1 ASP A 60 16.706 7.400 5.173 1.00 0.00 O ATOM 901 OD2 ASP A 60 14.826 6.538 5.919 1.00 0.00 O ATOM 0 H ASP A 60 14.047 10.585 3.414 1.00 0.00 H new ATOM 0 HA ASP A 60 16.177 8.875 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.850 9.462 5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.622 8.327 4.700 1.00 0.00 H new ATOM 906 N LEU A 61 13.396 7.572 1.955 1.00 0.00 N ATOM 907 CA LEU A 61 12.862 6.491 1.134 1.00 0.00 C ATOM 908 C LEU A 61 13.880 6.047 0.088 1.00 0.00 C ATOM 909 O LEU A 61 14.122 4.855 -0.091 1.00 0.00 O ATOM 910 CB LEU A 61 11.569 6.936 0.448 1.00 0.00 C ATOM 911 CG LEU A 61 11.010 5.984 -0.611 1.00 0.00 C ATOM 912 CD1 LEU A 61 10.674 4.636 0.007 1.00 0.00 C ATOM 913 CD2 LEU A 61 9.781 6.589 -1.275 1.00 0.00 C ATOM 0 H LEU A 61 12.716 8.293 2.197 1.00 0.00 H new ATOM 0 HA LEU A 61 12.647 5.645 1.786 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.807 7.084 1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 61 11.744 7.905 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 61 11.773 5.831 -1.374 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.278 3.972 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.575 4.198 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.928 4.771 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 61 9.396 5.899 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.014 6.772 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.052 7.530 -1.753 1.00 0.00 H new ATOM 925 N GLY A 62 14.475 7.017 -0.600 1.00 0.00 N ATOM 926 CA GLY A 62 15.462 6.707 -1.618 1.00 0.00 C ATOM 927 C GLY A 62 16.594 5.850 -1.086 1.00 0.00 C ATOM 928 O GLY A 62 16.800 4.727 -1.545 1.00 0.00 O ATOM 0 H GLY A 62 14.291 8.012 -0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.976 6.189 -2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 15.870 7.635 -2.019 1.00 0.00 H new ATOM 932 N VAL A 63 17.331 6.382 -0.116 1.00 0.00 N ATOM 933 CA VAL A 63 18.449 5.659 0.478 1.00 0.00 C ATOM 934 C VAL A 63 18.098 4.193 0.703 1.00 0.00 C ATOM 935 O VAL A 63 18.830 3.296 0.282 1.00 0.00 O ATOM 936 CB VAL A 63 18.873 6.286 1.820 1.00 0.00 C ATOM 937 CG1 VAL A 63 20.036 5.515 2.425 1.00 0.00 C ATOM 938 CG2 VAL A 63 19.234 7.752 1.633 1.00 0.00 C ATOM 0 H VAL A 63 17.174 7.311 0.275 1.00 0.00 H new ATOM 0 HA VAL A 63 19.279 5.727 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 63 18.031 6.228 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 63 20.322 5.972 3.372 1.00 0.00 H new ATOM 0 HG12 VAL A 63 19.737 4.481 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 63 20.884 5.539 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 63 19.531 8.179 2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 63 20.060 7.836 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 63 18.370 8.293 1.247 1.00 0.00 H new ATOM 948 N HIS A 64 16.973 3.955 1.369 1.00 0.00 N ATOM 949 CA HIS A 64 16.523 2.596 1.649 1.00 0.00 C ATOM 950 C HIS A 64 16.370 1.797 0.359 1.00 0.00 C ATOM 951 O HIS A 64 16.598 0.587 0.334 1.00 0.00 O ATOM 952 CB HIS A 64 15.195 2.622 2.407 1.00 0.00 C ATOM 953 CG HIS A 64 14.497 1.297 2.437 1.00 0.00 C ATOM 954 ND1 HIS A 64 14.784 0.315 3.361 1.00 0.00 N ATOM 955 CD2 HIS A 64 13.517 0.795 1.649 1.00 0.00 C ATOM 956 CE1 HIS A 64 14.013 -0.734 3.140 1.00 0.00 C ATOM 957 NE2 HIS A 64 13.234 -0.468 2.107 1.00 0.00 N ATOM 0 H HIS A 64 16.356 4.685 1.725 1.00 0.00 H new ATOM 0 HA HIS A 64 17.277 2.111 2.268 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.376 2.951 3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 64 14.538 3.360 1.947 1.00 0.00 H new ATOM 0 HD1 HIS A 64 15.483 0.387 4.100 1.00 0.00 H new ATOM 0 HD2 HIS A 64 13.046 1.295 0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 64 14.018 -1.653 3.707 1.00 0.00 H new ATOM 965 N LEU A 65 15.983 2.481 -0.712 1.00 0.00 N ATOM 966 CA LEU A 65 15.799 1.835 -2.007 1.00 0.00 C ATOM 967 C LEU A 65 17.143 1.529 -2.659 1.00 0.00 C ATOM 968 O LEU A 65 17.249 0.630 -3.493 1.00 0.00 O ATOM 969 CB LEU A 65 14.963 2.726 -2.929 1.00 0.00 C ATOM 970 CG LEU A 65 13.447 2.546 -2.841 1.00 0.00 C ATOM 971 CD1 LEU A 65 12.733 3.678 -3.565 1.00 0.00 C ATOM 972 CD2 LEU A 65 13.035 1.199 -3.417 1.00 0.00 C ATOM 0 H LEU A 65 15.791 3.483 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 65 15.273 0.894 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.199 3.767 -2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.272 2.541 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 65 13.157 2.573 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.655 3.534 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.003 4.630 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.028 3.682 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.953 1.088 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 65 13.338 1.143 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.519 0.400 -2.856 1.00 0.00 H new ATOM 984 N ARG A 66 18.168 2.282 -2.272 1.00 0.00 N ATOM 985 CA ARG A 66 19.506 2.091 -2.818 1.00 0.00 C ATOM 986 C ARG A 66 20.280 1.053 -2.009 1.00 0.00 C ATOM 987 O ARG A 66 21.073 0.288 -2.558 1.00 0.00 O ATOM 988 CB ARG A 66 20.269 3.416 -2.831 1.00 0.00 C ATOM 989 CG ARG A 66 19.438 4.593 -3.315 1.00 0.00 C ATOM 990 CD ARG A 66 19.572 4.788 -4.818 1.00 0.00 C ATOM 991 NE ARG A 66 18.364 5.362 -5.404 1.00 0.00 N ATOM 992 CZ ARG A 66 18.338 5.969 -6.586 1.00 0.00 C ATOM 993 NH1 ARG A 66 19.447 6.080 -7.303 1.00 0.00 N ATOM 994 NH2 ARG A 66 17.199 6.467 -7.052 1.00 0.00 N ATOM 0 H ARG A 66 18.097 3.030 -1.582 1.00 0.00 H new ATOM 0 HA ARG A 66 19.405 1.728 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.631 3.627 -1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 66 21.146 3.314 -3.470 1.00 0.00 H new ATOM 0 HG2 ARG A 66 18.391 4.430 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 66 19.754 5.500 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 66 20.421 5.440 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 66 19.784 3.829 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 66 17.493 5.293 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.324 5.699 -6.948 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.423 6.546 -8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.344 6.384 -6.503 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.179 6.933 -7.959 1.00 0.00 H new ATOM 1008 N LYS A 67 20.044 1.034 -0.702 1.00 0.00 N ATOM 1009 CA LYS A 67 20.717 0.091 0.184 1.00 0.00 C ATOM 1010 C LYS A 67 20.068 -1.287 0.106 1.00 0.00 C ATOM 1011 O LYS A 67 20.645 -2.224 -0.444 1.00 0.00 O ATOM 1012 CB LYS A 67 20.684 0.602 1.626 1.00 0.00 C ATOM 1013 CG LYS A 67 21.870 1.478 1.988 1.00 0.00 C ATOM 1014 CD LYS A 67 21.511 2.484 3.069 1.00 0.00 C ATOM 1015 CE LYS A 67 21.755 1.918 4.460 1.00 0.00 C ATOM 1016 NZ LYS A 67 20.965 2.638 5.497 1.00 0.00 N ATOM 0 H LYS A 67 19.391 1.661 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 67 21.754 0.003 -0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 67 19.765 1.167 1.781 1.00 0.00 H new ATOM 0 HB3 LYS A 67 20.652 -0.251 2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 67 22.694 0.853 2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.218 2.005 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 67 22.102 3.390 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.464 2.769 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.493 0.860 4.473 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.816 1.986 4.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.158 2.223 6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 21.233 3.643 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.951 2.551 5.283 1.00 0.00 H new ATOM 1030 N GLN A 68 18.864 -1.401 0.658 1.00 0.00 N ATOM 1031 CA GLN A 68 18.137 -2.665 0.650 1.00 0.00 C ATOM 1032 C GLN A 68 17.957 -3.180 -0.774 1.00 0.00 C ATOM 1033 O GLN A 68 18.207 -4.352 -1.058 1.00 0.00 O ATOM 1034 CB GLN A 68 16.773 -2.497 1.321 1.00 0.00 C ATOM 1035 CG GLN A 68 16.822 -2.608 2.836 1.00 0.00 C ATOM 1036 CD GLN A 68 16.628 -4.031 3.324 1.00 0.00 C ATOM 1037 OE1 GLN A 68 17.222 -4.968 2.791 1.00 0.00 O ATOM 1038 NE2 GLN A 68 15.792 -4.199 4.342 1.00 0.00 N ATOM 0 H GLN A 68 18.372 -0.634 1.116 1.00 0.00 H new ATOM 0 HA GLN A 68 18.721 -3.395 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.361 -1.525 1.049 1.00 0.00 H new ATOM 0 HB3 GLN A 68 16.090 -3.252 0.932 1.00 0.00 H new ATOM 0 HG2 GLN A 68 17.781 -2.233 3.193 1.00 0.00 H new ATOM 0 HG3 GLN A 68 16.050 -1.971 3.268 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.321 -3.393 4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 68 15.621 -5.134 4.713 1.00 0.00 H new ATOM 1047 N HIS A 69 17.520 -2.297 -1.667 1.00 0.00 N ATOM 1048 CA HIS A 69 17.306 -2.662 -3.062 1.00 0.00 C ATOM 1049 C HIS A 69 18.366 -2.028 -3.959 1.00 0.00 C ATOM 1050 O HIS A 69 19.138 -1.178 -3.517 1.00 0.00 O ATOM 1051 CB HIS A 69 15.912 -2.230 -3.517 1.00 0.00 C ATOM 1052 CG HIS A 69 14.819 -2.656 -2.585 1.00 0.00 C ATOM 1053 ND1 HIS A 69 14.111 -3.828 -2.742 1.00 0.00 N ATOM 1054 CD2 HIS A 69 14.316 -2.059 -1.479 1.00 0.00 C ATOM 1055 CE1 HIS A 69 13.218 -3.934 -1.775 1.00 0.00 C ATOM 1056 NE2 HIS A 69 13.322 -2.873 -0.994 1.00 0.00 N ATOM 0 H HIS A 69 17.307 -1.324 -1.449 1.00 0.00 H new ATOM 0 HA HIS A 69 17.387 -3.746 -3.144 1.00 0.00 H new ATOM 0 HB2 HIS A 69 15.891 -1.145 -3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 69 15.717 -2.644 -4.506 1.00 0.00 H new ATOM 0 HD1 HIS A 69 14.254 -4.508 -3.489 1.00 0.00 H new ATOM 0 HD2 HIS A 69 14.637 -1.118 -1.057 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.521 -4.749 -1.645 1.00 0.00 H new ATOM 1064 N SER A 70 18.396 -2.449 -5.219 1.00 0.00 N ATOM 1065 CA SER A 70 19.364 -1.925 -6.176 1.00 0.00 C ATOM 1066 C SER A 70 18.761 -0.784 -6.989 1.00 0.00 C ATOM 1067 O SER A 70 17.857 -0.993 -7.798 1.00 0.00 O ATOM 1068 CB SER A 70 19.840 -3.038 -7.113 1.00 0.00 C ATOM 1069 OG SER A 70 20.532 -4.046 -6.397 1.00 0.00 O ATOM 0 H SER A 70 17.762 -3.151 -5.601 1.00 0.00 H new ATOM 0 HA SER A 70 20.217 -1.539 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 70 18.984 -3.475 -7.627 1.00 0.00 H new ATOM 0 HB3 SER A 70 20.492 -2.619 -7.879 1.00 0.00 H new ATOM 0 HG SER A 70 20.824 -4.746 -7.018 1.00 0.00 H new ATOM 1075 N TYR A 71 19.268 0.424 -6.767 1.00 0.00 N ATOM 1076 CA TYR A 71 18.779 1.600 -7.476 1.00 0.00 C ATOM 1077 C TYR A 71 19.939 2.434 -8.013 1.00 0.00 C ATOM 1078 O TYR A 71 19.872 2.973 -9.117 1.00 0.00 O ATOM 1079 CB TYR A 71 17.908 2.453 -6.553 1.00 0.00 C ATOM 1080 CG TYR A 71 16.437 2.112 -6.623 1.00 0.00 C ATOM 1081 CD1 TYR A 71 15.984 0.835 -6.317 1.00 0.00 C ATOM 1082 CD2 TYR A 71 15.499 3.068 -6.995 1.00 0.00 C ATOM 1083 CE1 TYR A 71 14.640 0.519 -6.382 1.00 0.00 C ATOM 1084 CE2 TYR A 71 14.154 2.761 -7.061 1.00 0.00 C ATOM 1085 CZ TYR A 71 13.729 1.485 -6.753 1.00 0.00 C ATOM 1086 OH TYR A 71 12.390 1.175 -6.817 1.00 0.00 O ATOM 0 H TYR A 71 20.017 0.614 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 71 18.178 1.260 -8.319 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.252 2.330 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 71 18.041 3.504 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 71 16.694 0.076 -6.023 1.00 0.00 H new ATOM 0 HD2 TYR A 71 15.828 4.068 -7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 71 14.305 -0.480 -6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.439 3.516 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 71 12.224 0.340 -6.332 1.00 0.00 H new ATOM 1096 N SER A 72 21.003 2.534 -7.222 1.00 0.00 N ATOM 1097 CA SER A 72 22.177 3.304 -7.615 1.00 0.00 C ATOM 1098 C SER A 72 23.134 2.452 -8.442 1.00 0.00 C ATOM 1099 O SER A 72 22.892 1.267 -8.667 1.00 0.00 O ATOM 1100 CB SER A 72 22.896 3.844 -6.377 1.00 0.00 C ATOM 1101 OG SER A 72 22.398 5.120 -6.013 1.00 0.00 O ATOM 0 H SER A 72 21.076 2.092 -6.306 1.00 0.00 H new ATOM 0 HA SER A 72 21.843 4.142 -8.227 1.00 0.00 H new ATOM 0 HB2 SER A 72 22.768 3.150 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 72 23.966 3.911 -6.574 1.00 0.00 H new ATOM 0 HG SER A 72 22.507 5.250 -5.048 1.00 0.00 H new ATOM 1107 N GLY A 73 24.225 3.065 -8.892 1.00 0.00 N ATOM 1108 CA GLY A 73 25.203 2.349 -9.690 1.00 0.00 C ATOM 1109 C GLY A 73 26.213 1.606 -8.838 1.00 0.00 C ATOM 1110 O GLY A 73 26.067 1.492 -7.621 1.00 0.00 O ATOM 0 H GLY A 73 24.449 4.045 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 73 24.689 1.641 -10.340 1.00 0.00 H new ATOM 0 HA3 GLY A 73 25.726 3.054 -10.337 1.00 0.00 H new ATOM 1114 N PRO A 74 27.266 1.083 -9.483 1.00 0.00 N ATOM 1115 CA PRO A 74 28.325 0.337 -8.796 1.00 0.00 C ATOM 1116 C PRO A 74 29.187 1.233 -7.914 1.00 0.00 C ATOM 1117 O PRO A 74 29.613 0.830 -6.832 1.00 0.00 O ATOM 1118 CB PRO A 74 29.155 -0.240 -9.946 1.00 0.00 C ATOM 1119 CG PRO A 74 28.917 0.687 -11.088 1.00 0.00 C ATOM 1120 CD PRO A 74 27.505 1.180 -10.933 1.00 0.00 C ATOM 0 HA PRO A 74 27.920 -0.419 -8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 74 30.213 -0.285 -9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 74 28.843 -1.256 -10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 74 29.624 1.516 -11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 74 29.049 0.174 -12.041 1.00 0.00 H new ATOM 0 HD2 PRO A 74 27.396 2.204 -11.291 1.00 0.00 H new ATOM 0 HD3 PRO A 74 26.802 0.568 -11.498 1.00 0.00 H new ATOM 1128 N SER A 75 29.439 2.451 -8.383 1.00 0.00 N ATOM 1129 CA SER A 75 30.253 3.404 -7.637 1.00 0.00 C ATOM 1130 C SER A 75 31.621 2.812 -7.312 1.00 0.00 C ATOM 1131 O SER A 75 32.132 2.974 -6.204 1.00 0.00 O ATOM 1132 CB SER A 75 29.542 3.814 -6.346 1.00 0.00 C ATOM 1133 OG SER A 75 30.243 4.854 -5.687 1.00 0.00 O ATOM 0 H SER A 75 29.091 2.801 -9.276 1.00 0.00 H new ATOM 0 HA SER A 75 30.397 4.287 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 75 28.528 4.142 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 75 29.457 2.952 -5.684 1.00 0.00 H new ATOM 0 HG SER A 75 31.170 4.577 -5.532 1.00 0.00 H new ATOM 1139 N SER A 76 32.209 2.125 -8.287 1.00 0.00 N ATOM 1140 CA SER A 76 33.516 1.505 -8.105 1.00 0.00 C ATOM 1141 C SER A 76 34.398 1.727 -9.330 1.00 0.00 C ATOM 1142 O SER A 76 33.977 1.495 -10.462 1.00 0.00 O ATOM 1143 CB SER A 76 33.360 0.006 -7.840 1.00 0.00 C ATOM 1144 OG SER A 76 34.617 -0.602 -7.597 1.00 0.00 O ATOM 0 H SER A 76 31.801 1.984 -9.211 1.00 0.00 H new ATOM 0 HA SER A 76 33.995 1.971 -7.244 1.00 0.00 H new ATOM 0 HB2 SER A 76 32.706 -0.149 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 76 32.881 -0.470 -8.696 1.00 0.00 H new ATOM 0 HG SER A 76 34.490 -1.559 -7.429 1.00 0.00 H new ATOM 1150 N GLY A 77 35.625 2.180 -9.093 1.00 0.00 N ATOM 1151 CA GLY A 77 36.549 2.427 -10.185 1.00 0.00 C ATOM 1152 C GLY A 77 37.660 3.383 -9.799 1.00 0.00 C ATOM 1153 O GLY A 77 37.520 4.585 -10.020 1.00 0.00 O ATOM 0 H GLY A 77 35.996 2.380 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 77 36.984 1.482 -10.510 1.00 0.00 H new ATOM 0 HA3 GLY A 77 36.002 2.835 -11.035 1.00 0.00 H new TER 1157 GLY A 77 HETATM 1158 ZN ZN A 201 -4.956 8.825 -3.352 1.00 0.00 ZN HETATM 1159 ZN ZN A 401 12.021 -1.890 0.673 1.00 0.00 ZN