USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 724 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 49 TYR OH : rot 31:sc= -1.52 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 139:sc= 0.938 (180deg=-0.252) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00933 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.95) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 12 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.67) USER MOD Single : A 16 THR OG1 : rot -160:sc= -1.26 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0153 X(o=-0.015,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -2.03 K(o=-2,f=-1.2) USER MOD Single : A 34 HIS : no HD1:sc= 0.0512 K(o=0.051,f=-1.2!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 122:sc= 0.662 USER MOD Single : A 37 ASN : amide:sc= -2.32 K(o=-2.3,f=-5.1!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -5.45 K(o=-5.5,f=-10!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -34:sc= 0.599 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.123 7.574 19.786 1.00 25.09 N ATOM 2 CA MET A 1 8.258 8.269 20.781 1.00 25.62 C ATOM 3 C MET A 1 8.519 9.775 20.719 1.00 25.44 C ATOM 4 O MET A 1 7.657 10.548 20.343 1.00 26.00 O ATOM 5 CB MET A 1 8.578 7.753 22.185 1.00 25.99 C ATOM 6 CG MET A 1 7.304 7.751 23.033 1.00 27.06 C ATOM 7 SD MET A 1 7.739 7.520 24.774 1.00 27.84 S ATOM 8 CE MET A 1 6.105 7.874 25.465 1.00 29.01 C ATOM 0 H1 MET A 1 8.946 6.550 19.828 1.00 25.09 H new ATOM 0 H2 MET A 1 8.905 7.925 18.831 1.00 25.09 H new ATOM 0 H3 MET A 1 10.122 7.762 20.004 1.00 25.09 H new ATOM 0 HA MET A 1 7.211 8.072 20.552 1.00 25.62 H new ATOM 0 HB2 MET A 1 8.991 6.746 22.128 1.00 25.99 H new ATOM 0 HB3 MET A 1 9.336 8.382 22.651 1.00 25.99 H new ATOM 0 HG2 MET A 1 6.766 8.690 22.903 1.00 27.06 H new ATOM 0 HG3 MET A 1 6.637 6.954 22.705 1.00 27.06 H new ATOM 0 HE1 MET A 1 6.143 7.788 26.551 1.00 29.01 H new ATOM 0 HE2 MET A 1 5.806 8.886 25.192 1.00 29.01 H new ATOM 0 HE3 MET A 1 5.381 7.162 25.069 1.00 29.01 H new ATOM 20 N SER A 2 9.703 10.195 21.086 1.00 24.87 N ATOM 21 CA SER A 2 10.031 11.651 21.053 1.00 24.91 C ATOM 22 C SER A 2 11.534 11.829 20.828 1.00 24.03 C ATOM 23 O SER A 2 11.967 12.221 19.760 1.00 24.08 O ATOM 24 CB SER A 2 9.636 12.293 22.383 1.00 25.83 C ATOM 25 OG SER A 2 9.775 11.337 23.426 1.00 26.14 O ATOM 0 H SER A 2 10.458 9.590 21.408 1.00 24.87 H new ATOM 0 HA SER A 2 9.482 12.129 20.242 1.00 24.91 H new ATOM 0 HB2 SER A 2 10.266 13.160 22.583 1.00 25.83 H new ATOM 0 HB3 SER A 2 8.607 12.650 22.336 1.00 25.83 H new ATOM 0 HG SER A 2 9.524 11.746 24.280 1.00 26.14 H new ATOM 31 N LYS A 3 12.329 11.541 21.827 1.00 23.44 N ATOM 32 CA LYS A 3 13.807 11.688 21.682 1.00 22.83 C ATOM 33 C LYS A 3 14.341 10.579 20.773 1.00 21.27 C ATOM 34 O LYS A 3 13.666 9.600 20.515 1.00 20.78 O ATOM 35 CB LYS A 3 14.468 11.582 23.058 1.00 23.27 C ATOM 36 CG LYS A 3 14.333 12.917 23.793 1.00 24.64 C ATOM 37 CD LYS A 3 14.899 12.781 25.208 1.00 25.32 C ATOM 38 CE LYS A 3 14.540 14.025 26.022 1.00 26.62 C ATOM 39 NZ LYS A 3 15.336 14.039 27.283 1.00 27.40 N ATOM 0 H LYS A 3 12.016 11.209 22.739 1.00 23.44 H new ATOM 0 HA LYS A 3 14.035 12.660 21.244 1.00 22.83 H new ATOM 0 HB2 LYS A 3 14.000 10.787 23.638 1.00 23.27 H new ATOM 0 HB3 LYS A 3 15.520 11.320 22.949 1.00 23.27 H new ATOM 0 HG2 LYS A 3 14.866 13.698 23.251 1.00 24.64 H new ATOM 0 HG3 LYS A 3 13.286 13.216 23.836 1.00 24.64 H new ATOM 0 HD2 LYS A 3 14.495 11.890 25.689 1.00 25.32 H new ATOM 0 HD3 LYS A 3 15.981 12.659 25.168 1.00 25.32 H new ATOM 0 HE2 LYS A 3 14.743 14.924 25.441 1.00 26.62 H new ATOM 0 HE3 LYS A 3 13.474 14.028 26.252 1.00 26.62 H new ATOM 0 HZ1 LYS A 3 15.093 14.885 27.838 1.00 27.40 H new ATOM 0 HZ2 LYS A 3 15.121 13.187 27.839 1.00 27.40 H new ATOM 0 HZ3 LYS A 3 16.350 14.056 27.053 1.00 27.40 H new ATOM 53 N ARG A 4 15.549 10.726 20.288 1.00 20.66 N ATOM 54 CA ARG A 4 16.134 9.685 19.394 1.00 19.33 C ATOM 55 C ARG A 4 16.333 8.388 20.187 1.00 18.23 C ATOM 56 O ARG A 4 15.542 7.469 20.091 1.00 17.79 O ATOM 57 CB ARG A 4 17.479 10.175 18.851 1.00 19.47 C ATOM 58 CG ARG A 4 17.237 11.207 17.747 1.00 20.26 C ATOM 59 CD ARG A 4 18.579 11.757 17.258 1.00 20.75 C ATOM 60 NE ARG A 4 19.108 12.740 18.254 1.00 21.64 N ATOM 61 CZ ARG A 4 20.363 13.143 18.222 1.00 22.03 C ATOM 62 NH1 ARG A 4 21.204 12.704 17.314 1.00 21.72 N ATOM 63 NH2 ARG A 4 20.778 14.002 19.113 1.00 22.97 N ATOM 0 H ARG A 4 16.155 11.525 20.474 1.00 20.66 H new ATOM 0 HA ARG A 4 15.459 9.497 18.559 1.00 19.33 H new ATOM 0 HB2 ARG A 4 18.068 10.617 19.654 1.00 19.47 H new ATOM 0 HB3 ARG A 4 18.053 9.335 18.459 1.00 19.47 H new ATOM 0 HG2 ARG A 4 16.696 10.749 16.919 1.00 20.26 H new ATOM 0 HG3 ARG A 4 16.615 12.019 18.124 1.00 20.26 H new ATOM 0 HD2 ARG A 4 19.290 10.942 17.122 1.00 20.75 H new ATOM 0 HD3 ARG A 4 18.455 12.237 16.287 1.00 20.75 H new ATOM 0 HE ARG A 4 18.484 13.106 18.973 1.00 21.64 H new ATOM 0 HH11 ARG A 4 20.892 12.035 16.611 1.00 21.72 H new ATOM 0 HH12 ARG A 4 22.170 13.032 17.312 1.00 21.72 H new ATOM 0 HH21 ARG A 4 20.134 14.353 19.822 1.00 22.97 H new ATOM 0 HH22 ARG A 4 21.746 14.322 19.100 1.00 22.97 H new ATOM 77 N LYS A 5 17.382 8.308 20.971 1.00 18.06 N ATOM 78 CA LYS A 5 17.639 7.074 21.777 1.00 17.33 C ATOM 79 C LYS A 5 17.721 5.852 20.854 1.00 15.83 C ATOM 80 O LYS A 5 17.679 5.975 19.644 1.00 15.58 O ATOM 81 CB LYS A 5 16.501 6.876 22.781 1.00 17.85 C ATOM 82 CG LYS A 5 16.610 7.927 23.889 1.00 19.07 C ATOM 83 CD LYS A 5 15.630 7.586 25.013 1.00 19.99 C ATOM 84 CE LYS A 5 16.209 6.458 25.870 1.00 20.41 C ATOM 85 NZ LYS A 5 15.529 6.442 27.196 1.00 21.67 N ATOM 0 H LYS A 5 18.074 9.048 21.087 1.00 18.06 H new ATOM 0 HA LYS A 5 18.584 7.185 22.308 1.00 17.33 H new ATOM 0 HB2 LYS A 5 15.538 6.962 22.277 1.00 17.85 H new ATOM 0 HB3 LYS A 5 16.549 5.875 23.209 1.00 17.85 H new ATOM 0 HG2 LYS A 5 17.628 7.958 24.277 1.00 19.07 H new ATOM 0 HG3 LYS A 5 16.391 8.917 23.489 1.00 19.07 H new ATOM 0 HD2 LYS A 5 15.445 8.466 25.628 1.00 19.99 H new ATOM 0 HD3 LYS A 5 14.671 7.283 24.594 1.00 19.99 H new ATOM 0 HE2 LYS A 5 16.074 5.500 25.368 1.00 20.41 H new ATOM 0 HE3 LYS A 5 17.282 6.600 26.001 1.00 20.41 H new ATOM 0 HZ1 LYS A 5 15.922 5.676 27.779 1.00 21.67 H new ATOM 0 HZ2 LYS A 5 15.680 7.353 27.675 1.00 21.67 H new ATOM 0 HZ3 LYS A 5 14.510 6.286 27.061 1.00 21.67 H new ATOM 99 N ALA A 6 17.834 4.678 21.421 1.00 15.08 N ATOM 100 CA ALA A 6 17.917 3.442 20.587 1.00 13.80 C ATOM 101 C ALA A 6 16.495 2.958 20.252 1.00 12.96 C ATOM 102 O ALA A 6 15.570 3.249 20.984 1.00 13.38 O ATOM 103 CB ALA A 6 18.658 2.352 21.363 1.00 13.67 C ATOM 0 H ALA A 6 17.872 4.522 22.428 1.00 15.08 H new ATOM 0 HA ALA A 6 18.455 3.659 19.664 1.00 13.80 H new ATOM 0 HB1 ALA A 6 18.719 1.450 20.755 1.00 13.67 H new ATOM 0 HB2 ALA A 6 19.664 2.696 21.603 1.00 13.67 H new ATOM 0 HB3 ALA A 6 18.120 2.132 22.285 1.00 13.67 H new ATOM 109 N PRO A 7 16.347 2.230 19.156 1.00 12.12 N ATOM 110 CA PRO A 7 15.025 1.718 18.746 1.00 11.58 C ATOM 111 C PRO A 7 14.460 0.787 19.824 1.00 11.35 C ATOM 112 O PRO A 7 14.689 -0.407 19.804 1.00 11.20 O ATOM 113 CB PRO A 7 15.284 0.948 17.442 1.00 11.10 C ATOM 114 CG PRO A 7 16.800 1.033 17.133 1.00 11.50 C ATOM 115 CD PRO A 7 17.457 1.862 18.247 1.00 12.11 C ATOM 0 HA PRO A 7 14.296 2.516 18.607 1.00 11.58 H new ATOM 0 HB2 PRO A 7 14.973 -0.092 17.544 1.00 11.10 H new ATOM 0 HB3 PRO A 7 14.703 1.375 16.625 1.00 11.10 H new ATOM 0 HG2 PRO A 7 17.238 0.036 17.089 1.00 11.50 H new ATOM 0 HG3 PRO A 7 16.967 1.498 16.161 1.00 11.50 H new ATOM 0 HD2 PRO A 7 18.221 1.286 18.770 1.00 12.11 H new ATOM 0 HD3 PRO A 7 17.947 2.748 17.843 1.00 12.11 H new ATOM 123 N GLN A 8 13.723 1.328 20.761 1.00 11.81 N ATOM 124 CA GLN A 8 13.137 0.482 21.843 1.00 12.17 C ATOM 125 C GLN A 8 11.746 -0.009 21.419 1.00 11.73 C ATOM 126 O GLN A 8 10.788 0.087 22.165 1.00 12.66 O ATOM 127 CB GLN A 8 13.022 1.309 23.128 1.00 13.35 C ATOM 128 CG GLN A 8 14.417 1.545 23.710 1.00 13.75 C ATOM 129 CD GLN A 8 14.398 2.796 24.589 1.00 14.90 C ATOM 130 OE1 GLN A 8 13.814 3.798 24.226 1.00 15.04 O ATOM 131 NE2 GLN A 8 15.017 2.781 25.738 1.00 16.01 N ATOM 0 H GLN A 8 13.502 2.322 20.823 1.00 11.81 H new ATOM 0 HA GLN A 8 13.782 -0.379 22.021 1.00 12.17 H new ATOM 0 HB2 GLN A 8 12.538 2.263 22.917 1.00 13.35 H new ATOM 0 HB3 GLN A 8 12.397 0.788 23.853 1.00 13.35 H new ATOM 0 HG2 GLN A 8 14.729 0.681 24.296 1.00 13.75 H new ATOM 0 HG3 GLN A 8 15.143 1.664 22.906 1.00 13.75 H new ATOM 0 HE21 GLN A 8 15.507 1.940 26.042 1.00 16.01 H new ATOM 0 HE22 GLN A 8 15.011 3.610 26.332 1.00 16.01 H new ATOM 140 N GLU A 9 11.631 -0.537 20.225 1.00 10.62 N ATOM 141 CA GLU A 9 10.308 -1.037 19.747 1.00 10.42 C ATOM 142 C GLU A 9 10.525 -2.073 18.641 1.00 9.33 C ATOM 143 O GLU A 9 11.638 -2.308 18.211 1.00 8.95 O ATOM 144 CB GLU A 9 9.485 0.133 19.199 1.00 10.63 C ATOM 145 CG GLU A 9 10.286 0.870 18.117 1.00 10.24 C ATOM 146 CD GLU A 9 10.855 2.172 18.690 1.00 10.83 C ATOM 147 OE1 GLU A 9 11.199 2.181 19.861 1.00 11.49 O ATOM 148 OE2 GLU A 9 10.937 3.136 17.948 1.00 10.98 O ATOM 0 H GLU A 9 12.398 -0.643 19.561 1.00 10.62 H new ATOM 0 HA GLU A 9 9.772 -1.498 20.577 1.00 10.42 H new ATOM 0 HB2 GLU A 9 8.547 -0.234 18.783 1.00 10.63 H new ATOM 0 HB3 GLU A 9 9.229 0.819 20.006 1.00 10.63 H new ATOM 0 HG2 GLU A 9 11.096 0.236 17.756 1.00 10.24 H new ATOM 0 HG3 GLU A 9 9.646 1.087 17.262 1.00 10.24 H new ATOM 155 N THR A 10 9.467 -2.691 18.183 1.00 9.25 N ATOM 156 CA THR A 10 9.599 -3.714 17.105 1.00 8.63 C ATOM 157 C THR A 10 10.019 -3.033 15.801 1.00 7.01 C ATOM 158 O THR A 10 9.916 -1.828 15.660 1.00 6.58 O ATOM 159 CB THR A 10 8.254 -4.418 16.902 1.00 9.76 C ATOM 160 OG1 THR A 10 8.345 -5.297 15.790 1.00 9.76 O ATOM 161 CG2 THR A 10 7.162 -3.378 16.647 1.00 10.38 C ATOM 0 H THR A 10 8.515 -2.530 18.511 1.00 9.25 H new ATOM 0 HA THR A 10 10.354 -4.446 17.391 1.00 8.63 H new ATOM 0 HB THR A 10 8.004 -4.988 17.797 1.00 9.76 H new ATOM 0 HG1 THR A 10 7.486 -5.750 15.660 1.00 9.76 H new ATOM 0 HG21 THR A 10 6.206 -3.882 16.503 1.00 10.38 H new ATOM 0 HG22 THR A 10 7.093 -2.706 17.502 1.00 10.38 H new ATOM 0 HG23 THR A 10 7.408 -2.804 15.754 1.00 10.38 H new ATOM 169 N LEU A 11 10.492 -3.796 14.849 1.00 6.58 N ATOM 170 CA LEU A 11 10.923 -3.202 13.549 1.00 5.39 C ATOM 171 C LEU A 11 9.688 -2.808 12.736 1.00 4.59 C ATOM 172 O LEU A 11 8.600 -3.299 12.967 1.00 5.14 O ATOM 173 CB LEU A 11 11.744 -4.231 12.767 1.00 6.13 C ATOM 174 CG LEU A 11 12.838 -3.517 11.974 1.00 6.21 C ATOM 175 CD1 LEU A 11 13.968 -3.103 12.920 1.00 6.96 C ATOM 176 CD2 LEU A 11 13.392 -4.462 10.905 1.00 7.35 C ATOM 0 H LEU A 11 10.598 -4.808 14.917 1.00 6.58 H new ATOM 0 HA LEU A 11 11.532 -2.318 13.735 1.00 5.39 H new ATOM 0 HB2 LEU A 11 12.189 -4.953 13.452 1.00 6.13 H new ATOM 0 HB3 LEU A 11 11.097 -4.790 12.091 1.00 6.13 H new ATOM 0 HG LEU A 11 12.420 -2.631 11.497 1.00 6.21 H new ATOM 0 HD11 LEU A 11 14.748 -2.594 12.354 1.00 6.96 H new ATOM 0 HD12 LEU A 11 13.576 -2.431 13.683 1.00 6.96 H new ATOM 0 HD13 LEU A 11 14.386 -3.989 13.397 1.00 6.96 H new ATOM 0 HD21 LEU A 11 14.172 -3.953 10.339 1.00 7.35 H new ATOM 0 HD22 LEU A 11 13.810 -5.348 11.384 1.00 7.35 H new ATOM 0 HD23 LEU A 11 12.589 -4.759 10.230 1.00 7.35 H new ATOM 188 N ASN A 12 9.852 -1.922 11.786 1.00 3.70 N ATOM 189 CA ASN A 12 8.694 -1.487 10.951 1.00 3.19 C ATOM 190 C ASN A 12 9.164 -1.241 9.515 1.00 2.42 C ATOM 191 O ASN A 12 10.302 -1.505 9.173 1.00 2.43 O ATOM 192 CB ASN A 12 8.108 -0.195 11.524 1.00 3.51 C ATOM 193 CG ASN A 12 7.783 -0.393 13.005 1.00 4.62 C ATOM 194 OD1 ASN A 12 8.394 0.215 13.861 1.00 4.95 O ATOM 195 ND2 ASN A 12 6.837 -1.225 13.347 1.00 5.83 N ATOM 0 H ASN A 12 10.742 -1.481 11.553 1.00 3.70 H new ATOM 0 HA ASN A 12 7.931 -2.265 10.955 1.00 3.19 H new ATOM 0 HB2 ASN A 12 8.818 0.623 11.403 1.00 3.51 H new ATOM 0 HB3 ASN A 12 7.207 0.082 10.977 1.00 3.51 H new ATOM 0 HD21 ASN A 12 6.612 -1.364 14.332 1.00 5.83 H new ATOM 0 HD22 ASN A 12 6.323 -1.736 12.629 1.00 5.83 H new ATOM 202 N GLY A 13 8.295 -0.737 8.676 1.00 2.11 N ATOM 203 CA GLY A 13 8.684 -0.469 7.259 1.00 1.90 C ATOM 204 C GLY A 13 8.169 -1.596 6.362 1.00 1.81 C ATOM 205 O GLY A 13 7.628 -2.578 6.835 1.00 2.58 O ATOM 0 H GLY A 13 7.332 -0.499 8.912 1.00 2.11 H new ATOM 0 HA2 GLY A 13 8.272 0.486 6.933 1.00 1.90 H new ATOM 0 HA3 GLY A 13 9.768 -0.393 7.177 1.00 1.90 H new ATOM 209 N GLY A 14 8.332 -1.458 5.070 1.00 1.55 N ATOM 210 CA GLY A 14 7.855 -2.516 4.132 1.00 1.46 C ATOM 211 C GLY A 14 6.516 -2.092 3.527 1.00 1.13 C ATOM 212 O GLY A 14 5.676 -2.917 3.219 1.00 1.15 O ATOM 0 H GLY A 14 8.776 -0.655 4.625 1.00 1.55 H new ATOM 0 HA2 GLY A 14 8.589 -2.675 3.342 1.00 1.46 H new ATOM 0 HA3 GLY A 14 7.744 -3.463 4.660 1.00 1.46 H new ATOM 216 N ILE A 15 6.313 -0.811 3.358 1.00 0.99 N ATOM 217 CA ILE A 15 5.032 -0.318 2.776 1.00 0.75 C ATOM 218 C ILE A 15 5.143 -0.225 1.263 1.00 0.60 C ATOM 219 O ILE A 15 4.511 -0.971 0.545 1.00 0.64 O ATOM 220 CB ILE A 15 4.716 1.070 3.318 1.00 0.76 C ATOM 221 CG1 ILE A 15 4.655 1.032 4.841 1.00 0.92 C ATOM 222 CG2 ILE A 15 3.366 1.524 2.772 1.00 0.81 C ATOM 223 CD1 ILE A 15 4.376 2.443 5.342 1.00 1.11 C ATOM 0 H ILE A 15 6.984 -0.082 3.600 1.00 0.99 H new ATOM 0 HA ILE A 15 4.242 -1.018 3.048 1.00 0.75 H new ATOM 0 HB ILE A 15 5.497 1.765 3.008 1.00 0.76 H new ATOM 0 HG12 ILE A 15 3.873 0.349 5.173 1.00 0.92 H new ATOM 0 HG13 ILE A 15 5.595 0.663 5.250 1.00 0.92 H new ATOM 0 HG21 ILE A 15 3.134 2.517 3.156 1.00 0.81 H new ATOM 0 HG22 ILE A 15 3.406 1.556 1.683 1.00 0.81 H new ATOM 0 HG23 ILE A 15 2.592 0.823 3.086 1.00 0.81 H new ATOM 0 HD11 ILE A 15 4.328 2.440 6.431 1.00 1.11 H new ATOM 0 HD12 ILE A 15 5.175 3.109 5.016 1.00 1.11 H new ATOM 0 HD13 ILE A 15 3.425 2.791 4.938 1.00 1.11 H new ATOM 235 N THR A 16 5.907 0.718 0.777 1.00 0.54 N ATOM 236 CA THR A 16 6.015 0.888 -0.688 1.00 0.49 C ATOM 237 C THR A 16 6.730 -0.320 -1.309 1.00 0.55 C ATOM 238 O THR A 16 6.660 -0.538 -2.504 1.00 0.61 O ATOM 239 CB THR A 16 6.783 2.170 -1.023 1.00 0.54 C ATOM 240 OG1 THR A 16 7.105 2.178 -2.409 1.00 0.63 O ATOM 241 CG2 THR A 16 8.070 2.250 -0.196 1.00 0.64 C ATOM 0 H THR A 16 6.456 1.372 1.335 1.00 0.54 H new ATOM 0 HA THR A 16 5.009 0.961 -1.101 1.00 0.49 H new ATOM 0 HB THR A 16 6.159 3.031 -0.785 1.00 0.54 H new ATOM 0 HG1 THR A 16 7.843 2.802 -2.570 1.00 0.63 H new ATOM 0 HG21 THR A 16 8.606 3.166 -0.444 1.00 0.64 H new ATOM 0 HG22 THR A 16 7.821 2.252 0.865 1.00 0.64 H new ATOM 0 HG23 THR A 16 8.700 1.389 -0.420 1.00 0.64 H new ATOM 249 N ASP A 17 7.423 -1.103 -0.512 1.00 0.61 N ATOM 250 CA ASP A 17 8.142 -2.290 -1.060 1.00 0.70 C ATOM 251 C ASP A 17 7.152 -3.440 -1.251 1.00 0.68 C ATOM 252 O ASP A 17 7.155 -4.107 -2.267 1.00 0.74 O ATOM 253 CB ASP A 17 9.238 -2.718 -0.083 1.00 0.83 C ATOM 254 CG ASP A 17 10.499 -1.888 -0.336 1.00 1.52 C ATOM 255 OD1 ASP A 17 10.434 -0.682 -0.174 1.00 2.68 O ATOM 256 OD2 ASP A 17 11.509 -2.476 -0.688 1.00 2.27 O ATOM 0 H ASP A 17 7.519 -0.967 0.494 1.00 0.61 H new ATOM 0 HA ASP A 17 8.591 -2.033 -2.019 1.00 0.70 H new ATOM 0 HB2 ASP A 17 8.899 -2.580 0.944 1.00 0.83 H new ATOM 0 HB3 ASP A 17 9.457 -3.779 -0.207 1.00 0.83 H new ATOM 261 N MET A 18 6.304 -3.674 -0.282 1.00 0.69 N ATOM 262 CA MET A 18 5.306 -4.778 -0.401 1.00 0.73 C ATOM 263 C MET A 18 4.070 -4.296 -1.177 1.00 0.63 C ATOM 264 O MET A 18 3.237 -5.091 -1.573 1.00 0.64 O ATOM 265 CB MET A 18 4.880 -5.231 0.999 1.00 0.81 C ATOM 266 CG MET A 18 5.746 -6.412 1.440 1.00 1.34 C ATOM 267 SD MET A 18 4.983 -7.958 0.887 1.00 2.79 S ATOM 268 CE MET A 18 6.445 -8.655 0.081 1.00 3.73 C ATOM 0 H MET A 18 6.260 -3.146 0.589 1.00 0.69 H new ATOM 0 HA MET A 18 5.761 -5.610 -0.938 1.00 0.73 H new ATOM 0 HB2 MET A 18 4.982 -4.408 1.706 1.00 0.81 H new ATOM 0 HB3 MET A 18 3.829 -5.519 0.995 1.00 0.81 H new ATOM 0 HG2 MET A 18 6.748 -6.318 1.022 1.00 1.34 H new ATOM 0 HG3 MET A 18 5.852 -6.414 2.525 1.00 1.34 H new ATOM 0 HE1 MET A 18 6.198 -9.630 -0.340 1.00 3.73 H new ATOM 0 HE2 MET A 18 6.774 -7.988 -0.716 1.00 3.73 H new ATOM 0 HE3 MET A 18 7.245 -8.768 0.813 1.00 3.73 H new ATOM 278 N LEU A 19 3.949 -3.008 -1.415 1.00 0.59 N ATOM 279 CA LEU A 19 2.776 -2.493 -2.174 1.00 0.57 C ATOM 280 C LEU A 19 3.142 -2.494 -3.653 1.00 0.68 C ATOM 281 O LEU A 19 2.402 -2.968 -4.496 1.00 0.70 O ATOM 282 CB LEU A 19 2.451 -1.066 -1.725 1.00 0.51 C ATOM 283 CG LEU A 19 1.373 -1.104 -0.637 1.00 0.89 C ATOM 284 CD1 LEU A 19 1.129 0.313 -0.110 1.00 1.81 C ATOM 285 CD2 LEU A 19 0.069 -1.657 -1.222 1.00 1.60 C ATOM 0 H LEU A 19 4.615 -2.297 -1.114 1.00 0.59 H new ATOM 0 HA LEU A 19 1.903 -3.120 -1.994 1.00 0.57 H new ATOM 0 HB2 LEU A 19 3.349 -0.580 -1.345 1.00 0.51 H new ATOM 0 HB3 LEU A 19 2.105 -0.476 -2.574 1.00 0.51 H new ATOM 0 HG LEU A 19 1.707 -1.746 0.178 1.00 0.89 H new ATOM 0 HD11 LEU A 19 0.362 0.286 0.664 1.00 1.81 H new ATOM 0 HD12 LEU A 19 2.054 0.710 0.309 1.00 1.81 H new ATOM 0 HD13 LEU A 19 0.797 0.953 -0.927 1.00 1.81 H new ATOM 0 HD21 LEU A 19 -0.696 -1.683 -0.446 1.00 1.60 H new ATOM 0 HD22 LEU A 19 -0.264 -1.016 -2.038 1.00 1.60 H new ATOM 0 HD23 LEU A 19 0.238 -2.666 -1.598 1.00 1.60 H new ATOM 297 N VAL A 20 4.302 -1.980 -3.960 1.00 0.80 N ATOM 298 CA VAL A 20 4.771 -1.952 -5.368 1.00 1.00 C ATOM 299 C VAL A 20 5.108 -3.380 -5.792 1.00 1.09 C ATOM 300 O VAL A 20 4.922 -3.757 -6.932 1.00 1.21 O ATOM 301 CB VAL A 20 6.020 -1.077 -5.469 1.00 1.14 C ATOM 302 CG1 VAL A 20 6.454 -0.970 -6.927 1.00 1.51 C ATOM 303 CG2 VAL A 20 5.711 0.322 -4.930 1.00 1.02 C ATOM 0 H VAL A 20 4.950 -1.574 -3.284 1.00 0.80 H new ATOM 0 HA VAL A 20 3.997 -1.543 -6.017 1.00 1.00 H new ATOM 0 HB VAL A 20 6.821 -1.526 -4.882 1.00 1.14 H new ATOM 0 HG11 VAL A 20 7.345 -0.346 -6.997 1.00 1.51 H new ATOM 0 HG12 VAL A 20 6.677 -1.964 -7.314 1.00 1.51 H new ATOM 0 HG13 VAL A 20 5.651 -0.524 -7.514 1.00 1.51 H new ATOM 0 HG21 VAL A 20 6.602 0.945 -5.003 1.00 1.02 H new ATOM 0 HG22 VAL A 20 4.908 0.768 -5.516 1.00 1.02 H new ATOM 0 HG23 VAL A 20 5.403 0.250 -3.887 1.00 1.02 H new ATOM 313 N GLU A 21 5.589 -4.182 -4.870 1.00 1.18 N ATOM 314 CA GLU A 21 5.919 -5.597 -5.201 1.00 1.33 C ATOM 315 C GLU A 21 4.611 -6.329 -5.484 1.00 1.10 C ATOM 316 O GLU A 21 4.536 -7.187 -6.349 1.00 0.99 O ATOM 317 CB GLU A 21 6.640 -6.253 -4.019 1.00 1.58 C ATOM 318 CG GLU A 21 7.030 -7.688 -4.383 1.00 1.58 C ATOM 319 CD GLU A 21 8.289 -8.088 -3.613 1.00 2.21 C ATOM 320 OE1 GLU A 21 9.210 -7.289 -3.565 1.00 3.61 O ATOM 321 OE2 GLU A 21 8.312 -9.187 -3.082 1.00 2.44 O ATOM 0 H GLU A 21 5.766 -3.913 -3.902 1.00 1.18 H new ATOM 0 HA GLU A 21 6.574 -5.642 -6.071 1.00 1.33 H new ATOM 0 HB2 GLU A 21 7.530 -5.679 -3.760 1.00 1.58 H new ATOM 0 HB3 GLU A 21 5.994 -6.253 -3.141 1.00 1.58 H new ATOM 0 HG2 GLU A 21 6.213 -8.369 -4.144 1.00 1.58 H new ATOM 0 HG3 GLU A 21 7.207 -7.767 -5.456 1.00 1.58 H new ATOM 328 N LEU A 22 3.564 -5.974 -4.771 1.00 1.10 N ATOM 329 CA LEU A 22 2.237 -6.618 -5.002 1.00 1.00 C ATOM 330 C LEU A 22 1.862 -6.455 -6.477 1.00 0.75 C ATOM 331 O LEU A 22 1.408 -7.377 -7.126 1.00 0.71 O ATOM 332 CB LEU A 22 1.170 -5.924 -4.138 1.00 1.28 C ATOM 333 CG LEU A 22 0.004 -6.879 -3.791 1.00 1.13 C ATOM 334 CD1 LEU A 22 -0.341 -7.806 -4.962 1.00 2.00 C ATOM 335 CD2 LEU A 22 0.379 -7.725 -2.579 1.00 2.99 C ATOM 0 H LEU A 22 3.576 -5.264 -4.039 1.00 1.10 H new ATOM 0 HA LEU A 22 2.290 -7.674 -4.738 1.00 1.00 H new ATOM 0 HB2 LEU A 22 1.627 -5.559 -3.218 1.00 1.28 H new ATOM 0 HB3 LEU A 22 0.782 -5.054 -4.668 1.00 1.28 H new ATOM 0 HG LEU A 22 -0.871 -6.267 -3.572 1.00 1.13 H new ATOM 0 HD11 LEU A 22 -1.165 -8.461 -4.677 1.00 2.00 H new ATOM 0 HD12 LEU A 22 -0.634 -7.208 -5.825 1.00 2.00 H new ATOM 0 HD13 LEU A 22 0.530 -8.409 -5.217 1.00 2.00 H new ATOM 0 HD21 LEU A 22 -0.444 -8.397 -2.336 1.00 2.99 H new ATOM 0 HD22 LEU A 22 1.271 -8.310 -2.805 1.00 2.99 H new ATOM 0 HD23 LEU A 22 0.579 -7.074 -1.728 1.00 2.99 H new ATOM 347 N ALA A 23 2.075 -5.279 -7.005 1.00 0.76 N ATOM 348 CA ALA A 23 1.763 -5.023 -8.439 1.00 0.76 C ATOM 349 C ALA A 23 2.825 -5.701 -9.314 1.00 0.78 C ATOM 350 O ALA A 23 2.576 -6.043 -10.453 1.00 0.82 O ATOM 351 CB ALA A 23 1.783 -3.514 -8.693 1.00 1.02 C ATOM 0 H ALA A 23 2.455 -4.479 -6.499 1.00 0.76 H new ATOM 0 HA ALA A 23 0.779 -5.423 -8.682 1.00 0.76 H new ATOM 0 HB1 ALA A 23 1.555 -3.318 -9.741 1.00 1.02 H new ATOM 0 HB2 ALA A 23 1.037 -3.029 -8.063 1.00 1.02 H new ATOM 0 HB3 ALA A 23 2.771 -3.118 -8.456 1.00 1.02 H new ATOM 357 N ASN A 24 4.009 -5.895 -8.784 1.00 0.87 N ATOM 358 CA ASN A 24 5.097 -6.547 -9.568 1.00 1.00 C ATOM 359 C ASN A 24 4.888 -8.067 -9.620 1.00 0.90 C ATOM 360 O ASN A 24 5.653 -8.771 -10.249 1.00 1.03 O ATOM 361 CB ASN A 24 6.445 -6.246 -8.909 1.00 1.31 C ATOM 362 CG ASN A 24 7.527 -6.149 -9.986 1.00 1.79 C ATOM 363 OD1 ASN A 24 7.419 -5.359 -10.902 1.00 2.59 O ATOM 364 ND2 ASN A 24 8.575 -6.924 -9.913 1.00 2.15 N ATOM 0 H ASN A 24 4.267 -5.626 -7.834 1.00 0.87 H new ATOM 0 HA ASN A 24 5.080 -6.154 -10.585 1.00 1.00 H new ATOM 0 HB2 ASN A 24 6.388 -5.312 -8.350 1.00 1.31 H new ATOM 0 HB3 ASN A 24 6.696 -7.030 -8.195 1.00 1.31 H new ATOM 0 HD21 ASN A 24 9.303 -6.866 -10.625 1.00 2.15 H new ATOM 0 HD22 ASN A 24 8.666 -7.588 -9.144 1.00 2.15 H new ATOM 371 N PHE A 25 3.862 -8.584 -8.967 1.00 0.81 N ATOM 372 CA PHE A 25 3.597 -10.065 -8.981 1.00 0.97 C ATOM 373 C PHE A 25 3.698 -10.616 -10.413 1.00 1.03 C ATOM 374 O PHE A 25 4.337 -11.621 -10.658 1.00 1.40 O ATOM 375 CB PHE A 25 2.184 -10.322 -8.442 1.00 0.97 C ATOM 376 CG PHE A 25 2.250 -10.703 -6.983 1.00 1.34 C ATOM 377 CD1 PHE A 25 2.677 -9.769 -6.033 1.00 2.74 C ATOM 378 CD2 PHE A 25 1.875 -11.988 -6.582 1.00 1.83 C ATOM 379 CE1 PHE A 25 2.730 -10.122 -4.681 1.00 3.16 C ATOM 380 CE2 PHE A 25 1.926 -12.342 -5.229 1.00 2.01 C ATOM 381 CZ PHE A 25 2.354 -11.410 -4.278 1.00 2.22 C ATOM 0 H PHE A 25 3.195 -8.038 -8.423 1.00 0.81 H new ATOM 0 HA PHE A 25 4.338 -10.565 -8.358 1.00 0.97 H new ATOM 0 HB2 PHE A 25 1.571 -9.430 -8.566 1.00 0.97 H new ATOM 0 HB3 PHE A 25 1.707 -11.118 -9.013 1.00 0.97 H new ATOM 0 HD1 PHE A 25 2.966 -8.776 -6.344 1.00 2.74 H new ATOM 0 HD2 PHE A 25 1.546 -12.708 -7.316 1.00 1.83 H new ATOM 0 HE1 PHE A 25 3.061 -9.402 -3.947 1.00 3.16 H new ATOM 0 HE2 PHE A 25 1.635 -13.335 -4.919 1.00 2.01 H new ATOM 0 HZ PHE A 25 2.395 -11.683 -3.234 1.00 2.22 H new ATOM 391 N GLU A 26 3.078 -9.949 -11.356 1.00 0.88 N ATOM 392 CA GLU A 26 3.133 -10.403 -12.784 1.00 1.08 C ATOM 393 C GLU A 26 2.779 -11.893 -12.901 1.00 1.24 C ATOM 394 O GLU A 26 3.196 -12.564 -13.826 1.00 1.60 O ATOM 395 CB GLU A 26 4.546 -10.180 -13.329 1.00 1.40 C ATOM 396 CG GLU A 26 4.659 -8.760 -13.887 1.00 2.22 C ATOM 397 CD GLU A 26 6.103 -8.274 -13.755 1.00 2.74 C ATOM 398 OE1 GLU A 26 6.999 -9.078 -13.957 1.00 2.97 O ATOM 399 OE2 GLU A 26 6.289 -7.106 -13.454 1.00 3.77 O ATOM 0 H GLU A 26 2.531 -9.102 -11.198 1.00 0.88 H new ATOM 0 HA GLU A 26 2.408 -9.827 -13.359 1.00 1.08 H new ATOM 0 HB2 GLU A 26 5.280 -10.331 -12.538 1.00 1.40 H new ATOM 0 HB3 GLU A 26 4.765 -10.908 -14.110 1.00 1.40 H new ATOM 0 HG2 GLU A 26 4.353 -8.743 -14.933 1.00 2.22 H new ATOM 0 HG3 GLU A 26 3.988 -8.091 -13.348 1.00 2.22 H new ATOM 406 N LYS A 27 2.016 -12.411 -11.971 1.00 1.31 N ATOM 407 CA LYS A 27 1.636 -13.854 -12.028 1.00 1.73 C ATOM 408 C LYS A 27 0.264 -14.045 -11.379 1.00 1.89 C ATOM 409 O LYS A 27 -0.705 -14.365 -12.041 1.00 2.15 O ATOM 410 CB LYS A 27 2.680 -14.687 -11.278 1.00 2.12 C ATOM 411 CG LYS A 27 2.800 -16.065 -11.933 1.00 2.42 C ATOM 412 CD LYS A 27 1.619 -16.938 -11.506 1.00 2.87 C ATOM 413 CE LYS A 27 1.964 -18.410 -11.730 1.00 3.51 C ATOM 414 NZ LYS A 27 2.749 -18.919 -10.571 1.00 4.46 N ATOM 0 H LYS A 27 1.640 -11.896 -11.175 1.00 1.31 H new ATOM 0 HA LYS A 27 1.593 -14.179 -13.068 1.00 1.73 H new ATOM 0 HB2 LYS A 27 3.645 -14.180 -11.293 1.00 2.12 H new ATOM 0 HB3 LYS A 27 2.393 -14.794 -10.232 1.00 2.12 H new ATOM 0 HG2 LYS A 27 2.817 -15.963 -13.018 1.00 2.42 H new ATOM 0 HG3 LYS A 27 3.739 -16.537 -11.642 1.00 2.42 H new ATOM 0 HD2 LYS A 27 1.386 -16.764 -10.455 1.00 2.87 H new ATOM 0 HD3 LYS A 27 0.730 -16.671 -12.078 1.00 2.87 H new ATOM 0 HE2 LYS A 27 1.052 -18.994 -11.849 1.00 3.51 H new ATOM 0 HE3 LYS A 27 2.538 -18.524 -12.650 1.00 3.51 H new ATOM 0 HZ1 LYS A 27 2.984 -19.921 -10.724 1.00 4.46 H new ATOM 0 HZ2 LYS A 27 3.626 -18.368 -10.477 1.00 4.46 H new ATOM 0 HZ3 LYS A 27 2.186 -18.824 -9.702 1.00 4.46 H new ATOM 428 N ASN A 28 0.176 -13.844 -10.090 1.00 1.90 N ATOM 429 CA ASN A 28 -1.130 -14.004 -9.388 1.00 2.21 C ATOM 430 C ASN A 28 -1.947 -12.719 -9.552 1.00 2.01 C ATOM 431 O ASN A 28 -3.163 -12.745 -9.572 1.00 2.29 O ATOM 432 CB ASN A 28 -0.877 -14.274 -7.898 1.00 2.42 C ATOM 433 CG ASN A 28 -1.216 -15.730 -7.568 1.00 3.44 C ATOM 434 OD1 ASN A 28 -2.346 -16.045 -7.247 1.00 3.80 O ATOM 435 ND2 ASN A 28 -0.280 -16.636 -7.634 1.00 4.54 N ATOM 0 H ASN A 28 0.957 -13.575 -9.491 1.00 1.90 H new ATOM 0 HA ASN A 28 -1.681 -14.842 -9.815 1.00 2.21 H new ATOM 0 HB2 ASN A 28 0.166 -14.070 -7.654 1.00 2.42 H new ATOM 0 HB3 ASN A 28 -1.484 -13.603 -7.290 1.00 2.42 H new ATOM 0 HD21 ASN A 28 -0.496 -17.609 -7.416 1.00 4.54 H new ATOM 0 HD22 ASN A 28 0.668 -16.372 -7.903 1.00 4.54 H new ATOM 442 N VAL A 29 -1.282 -11.598 -9.670 1.00 1.76 N ATOM 443 CA VAL A 29 -2.001 -10.305 -9.835 1.00 1.73 C ATOM 444 C VAL A 29 -2.170 -10.004 -11.329 1.00 2.05 C ATOM 445 O VAL A 29 -3.082 -9.304 -11.729 1.00 2.83 O ATOM 446 CB VAL A 29 -1.190 -9.187 -9.170 1.00 1.19 C ATOM 447 CG1 VAL A 29 -2.016 -7.902 -9.139 1.00 1.38 C ATOM 448 CG2 VAL A 29 -0.843 -9.594 -7.735 1.00 1.56 C ATOM 0 H VAL A 29 -0.265 -11.526 -9.659 1.00 1.76 H new ATOM 0 HA VAL A 29 -2.983 -10.367 -9.367 1.00 1.73 H new ATOM 0 HB VAL A 29 -0.275 -9.020 -9.738 1.00 1.19 H new ATOM 0 HG11 VAL A 29 -1.437 -7.109 -8.666 1.00 1.38 H new ATOM 0 HG12 VAL A 29 -2.270 -7.608 -10.157 1.00 1.38 H new ATOM 0 HG13 VAL A 29 -2.931 -8.071 -8.572 1.00 1.38 H new ATOM 0 HG21 VAL A 29 -0.266 -8.800 -7.261 1.00 1.56 H new ATOM 0 HG22 VAL A 29 -1.761 -9.761 -7.172 1.00 1.56 H new ATOM 0 HG23 VAL A 29 -0.254 -10.511 -7.749 1.00 1.56 H new ATOM 458 N SER A 30 -1.301 -10.534 -12.158 1.00 2.18 N ATOM 459 CA SER A 30 -1.407 -10.291 -13.628 1.00 2.71 C ATOM 460 C SER A 30 -2.754 -10.810 -14.145 1.00 3.57 C ATOM 461 O SER A 30 -3.270 -10.333 -15.138 1.00 3.88 O ATOM 462 CB SER A 30 -0.272 -11.019 -14.346 1.00 3.18 C ATOM 463 OG SER A 30 -0.226 -10.594 -15.702 1.00 3.69 O ATOM 0 H SER A 30 -0.520 -11.127 -11.876 1.00 2.18 H new ATOM 0 HA SER A 30 -1.336 -9.221 -13.822 1.00 2.71 H new ATOM 0 HB2 SER A 30 0.678 -10.810 -13.855 1.00 3.18 H new ATOM 0 HB3 SER A 30 -0.426 -12.097 -14.296 1.00 3.18 H new ATOM 0 HG SER A 30 0.502 -11.058 -16.166 1.00 3.69 H new ATOM 469 N GLN A 31 -3.329 -11.783 -13.477 1.00 4.95 N ATOM 470 CA GLN A 31 -4.645 -12.331 -13.924 1.00 6.17 C ATOM 471 C GLN A 31 -5.769 -11.657 -13.131 1.00 6.43 C ATOM 472 O GLN A 31 -6.738 -12.285 -12.748 1.00 7.67 O ATOM 473 CB GLN A 31 -4.678 -13.844 -13.678 1.00 7.36 C ATOM 474 CG GLN A 31 -5.409 -14.536 -14.832 1.00 7.99 C ATOM 475 CD GLN A 31 -6.889 -14.153 -14.803 1.00 8.63 C ATOM 476 OE1 GLN A 31 -7.703 -14.867 -14.251 1.00 10.04 O ATOM 477 NE2 GLN A 31 -7.277 -13.047 -15.379 1.00 8.12 N ATOM 0 H GLN A 31 -2.941 -12.220 -12.641 1.00 4.95 H new ATOM 0 HA GLN A 31 -4.782 -12.135 -14.988 1.00 6.17 H new ATOM 0 HB2 GLN A 31 -3.663 -14.231 -13.593 1.00 7.36 H new ATOM 0 HB3 GLN A 31 -5.181 -14.058 -12.735 1.00 7.36 H new ATOM 0 HG2 GLN A 31 -4.966 -14.244 -15.784 1.00 7.99 H new ATOM 0 HG3 GLN A 31 -5.301 -15.617 -14.748 1.00 7.99 H new ATOM 0 HE21 GLN A 31 -6.595 -12.447 -15.843 1.00 8.12 H new ATOM 0 HE22 GLN A 31 -8.262 -12.783 -15.365 1.00 8.12 H new ATOM 486 N ALA A 32 -5.641 -10.378 -12.884 1.00 5.53 N ATOM 487 CA ALA A 32 -6.682 -9.635 -12.119 1.00 5.94 C ATOM 488 C ALA A 32 -6.235 -8.179 -11.988 1.00 4.23 C ATOM 489 O ALA A 32 -5.784 -7.747 -10.945 1.00 5.05 O ATOM 490 CB ALA A 32 -6.844 -10.253 -10.725 1.00 7.85 C ATOM 0 H ALA A 32 -4.848 -9.812 -13.185 1.00 5.53 H new ATOM 0 HA ALA A 32 -7.638 -9.690 -12.639 1.00 5.94 H new ATOM 0 HB1 ALA A 32 -7.606 -9.706 -10.171 1.00 7.85 H new ATOM 0 HB2 ALA A 32 -7.145 -11.296 -10.822 1.00 7.85 H new ATOM 0 HB3 ALA A 32 -5.896 -10.197 -10.190 1.00 7.85 H new ATOM 496 N ILE A 33 -6.341 -7.424 -13.052 1.00 2.53 N ATOM 497 CA ILE A 33 -5.909 -5.997 -13.016 1.00 1.42 C ATOM 498 C ILE A 33 -6.776 -5.200 -12.016 1.00 1.79 C ATOM 499 O ILE A 33 -6.415 -4.107 -11.620 1.00 2.79 O ATOM 500 CB ILE A 33 -5.961 -5.428 -14.470 1.00 2.14 C ATOM 501 CG1 ILE A 33 -4.562 -4.943 -14.877 1.00 2.80 C ATOM 502 CG2 ILE A 33 -6.954 -4.263 -14.628 1.00 3.81 C ATOM 503 CD1 ILE A 33 -3.583 -6.122 -14.872 1.00 2.55 C ATOM 0 H ILE A 33 -6.711 -7.739 -13.949 1.00 2.53 H new ATOM 0 HA ILE A 33 -4.883 -5.908 -12.659 1.00 1.42 H new ATOM 0 HB ILE A 33 -6.303 -6.238 -15.114 1.00 2.14 H new ATOM 0 HG12 ILE A 33 -4.598 -4.492 -15.869 1.00 2.80 H new ATOM 0 HG13 ILE A 33 -4.220 -4.171 -14.188 1.00 2.80 H new ATOM 0 HG21 ILE A 33 -6.943 -3.913 -15.660 1.00 3.81 H new ATOM 0 HG22 ILE A 33 -7.957 -4.603 -14.371 1.00 3.81 H new ATOM 0 HG23 ILE A 33 -6.666 -3.447 -13.965 1.00 3.81 H new ATOM 0 HD11 ILE A 33 -2.592 -5.773 -15.161 1.00 2.55 H new ATOM 0 HD12 ILE A 33 -3.538 -6.553 -13.872 1.00 2.55 H new ATOM 0 HD13 ILE A 33 -3.922 -6.879 -15.579 1.00 2.55 H new ATOM 515 N HIS A 34 -7.901 -5.736 -11.595 1.00 1.50 N ATOM 516 CA HIS A 34 -8.759 -4.992 -10.608 1.00 1.88 C ATOM 517 C HIS A 34 -7.974 -4.875 -9.304 1.00 1.80 C ATOM 518 O HIS A 34 -8.040 -3.880 -8.606 1.00 2.24 O ATOM 519 CB HIS A 34 -10.091 -5.725 -10.315 1.00 2.31 C ATOM 520 CG HIS A 34 -10.541 -6.556 -11.489 1.00 2.15 C ATOM 521 ND1 HIS A 34 -10.143 -7.873 -11.643 1.00 2.77 N ATOM 522 CD2 HIS A 34 -11.346 -6.277 -12.565 1.00 3.26 C ATOM 523 CE1 HIS A 34 -10.701 -8.336 -12.772 1.00 3.70 C ATOM 524 NE2 HIS A 34 -11.445 -7.405 -13.376 1.00 4.22 N ATOM 0 H HIS A 34 -8.260 -6.645 -11.887 1.00 1.50 H new ATOM 0 HA HIS A 34 -9.004 -4.018 -11.031 1.00 1.88 H new ATOM 0 HB2 HIS A 34 -9.969 -6.365 -9.441 1.00 2.31 H new ATOM 0 HB3 HIS A 34 -10.862 -4.994 -10.070 1.00 2.31 H new ATOM 0 HD2 HIS A 34 -11.828 -5.329 -12.754 1.00 3.26 H new ATOM 0 HE1 HIS A 34 -10.565 -9.340 -13.147 1.00 3.70 H new ATOM 0 HE2 HIS A 34 -11.972 -7.500 -14.244 1.00 4.22 H new ATOM 532 N LYS A 35 -7.225 -5.895 -8.982 1.00 1.65 N ATOM 533 CA LYS A 35 -6.410 -5.886 -7.733 1.00 1.88 C ATOM 534 C LYS A 35 -5.018 -5.318 -8.045 1.00 1.53 C ATOM 535 O LYS A 35 -4.344 -4.795 -7.179 1.00 1.44 O ATOM 536 CB LYS A 35 -6.263 -7.320 -7.196 1.00 2.28 C ATOM 537 CG LYS A 35 -7.601 -8.074 -7.298 1.00 2.52 C ATOM 538 CD LYS A 35 -7.874 -8.826 -5.993 1.00 2.73 C ATOM 539 CE LYS A 35 -9.088 -9.740 -6.173 1.00 3.31 C ATOM 540 NZ LYS A 35 -8.913 -10.966 -5.344 1.00 4.20 N ATOM 0 H LYS A 35 -7.142 -6.745 -9.539 1.00 1.65 H new ATOM 0 HA LYS A 35 -6.904 -5.269 -6.983 1.00 1.88 H new ATOM 0 HB2 LYS A 35 -5.496 -7.850 -7.762 1.00 2.28 H new ATOM 0 HB3 LYS A 35 -5.932 -7.294 -6.158 1.00 2.28 H new ATOM 0 HG2 LYS A 35 -8.410 -7.372 -7.500 1.00 2.52 H new ATOM 0 HG3 LYS A 35 -7.571 -8.774 -8.133 1.00 2.52 H new ATOM 0 HD2 LYS A 35 -7.001 -9.415 -5.711 1.00 2.73 H new ATOM 0 HD3 LYS A 35 -8.056 -8.118 -5.184 1.00 2.73 H new ATOM 0 HE2 LYS A 35 -9.998 -9.216 -5.880 1.00 3.31 H new ATOM 0 HE3 LYS A 35 -9.201 -10.011 -7.223 1.00 3.31 H new ATOM 0 HZ1 LYS A 35 -9.738 -11.588 -5.466 1.00 4.20 H new ATOM 0 HZ2 LYS A 35 -8.053 -11.468 -5.644 1.00 4.20 H new ATOM 0 HZ3 LYS A 35 -8.826 -10.699 -4.343 1.00 4.20 H new ATOM 554 N TYR A 36 -4.586 -5.424 -9.280 1.00 1.40 N ATOM 555 CA TYR A 36 -3.244 -4.900 -9.672 1.00 1.12 C ATOM 556 C TYR A 36 -3.166 -3.398 -9.372 1.00 0.99 C ATOM 557 O TYR A 36 -2.272 -2.941 -8.685 1.00 0.97 O ATOM 558 CB TYR A 36 -3.045 -5.136 -11.172 1.00 0.97 C ATOM 559 CG TYR A 36 -1.593 -4.945 -11.541 1.00 1.19 C ATOM 560 CD1 TYR A 36 -1.030 -3.664 -11.526 1.00 1.67 C ATOM 561 CD2 TYR A 36 -0.813 -6.048 -11.908 1.00 2.61 C ATOM 562 CE1 TYR A 36 0.312 -3.485 -11.877 1.00 1.77 C ATOM 563 CE2 TYR A 36 0.530 -5.869 -12.260 1.00 2.87 C ATOM 564 CZ TYR A 36 1.093 -4.586 -12.243 1.00 1.78 C ATOM 565 OH TYR A 36 2.417 -4.409 -12.591 1.00 2.11 O ATOM 0 H TYR A 36 -5.114 -5.856 -10.038 1.00 1.40 H new ATOM 0 HA TYR A 36 -2.466 -5.414 -9.107 1.00 1.12 H new ATOM 0 HB2 TYR A 36 -3.365 -6.144 -11.435 1.00 0.97 H new ATOM 0 HB3 TYR A 36 -3.667 -4.446 -11.742 1.00 0.97 H new ATOM 0 HD1 TYR A 36 -1.632 -2.813 -11.243 1.00 1.67 H new ATOM 0 HD2 TYR A 36 -1.247 -7.037 -11.920 1.00 2.61 H new ATOM 0 HE1 TYR A 36 0.745 -2.496 -11.865 1.00 1.77 H new ATOM 0 HE2 TYR A 36 1.132 -6.719 -12.545 1.00 2.87 H new ATOM 0 HH TYR A 36 2.985 -4.951 -12.004 1.00 2.11 H new ATOM 575 N ASN A 37 -4.097 -2.633 -9.882 1.00 1.00 N ATOM 576 CA ASN A 37 -4.090 -1.161 -9.633 1.00 0.95 C ATOM 577 C ASN A 37 -4.330 -0.872 -8.143 1.00 0.97 C ATOM 578 O ASN A 37 -4.106 0.229 -7.679 1.00 0.98 O ATOM 579 CB ASN A 37 -5.196 -0.503 -10.460 1.00 1.06 C ATOM 580 CG ASN A 37 -6.535 -1.177 -10.154 1.00 2.84 C ATOM 581 OD1 ASN A 37 -6.941 -1.255 -9.011 1.00 4.25 O ATOM 582 ND2 ASN A 37 -7.241 -1.673 -11.132 1.00 3.73 N ATOM 0 H ASN A 37 -4.866 -2.967 -10.463 1.00 1.00 H new ATOM 0 HA ASN A 37 -3.119 -0.757 -9.921 1.00 0.95 H new ATOM 0 HB2 ASN A 37 -5.252 0.561 -10.230 1.00 1.06 H new ATOM 0 HB3 ASN A 37 -4.969 -0.588 -11.523 1.00 1.06 H new ATOM 0 HD21 ASN A 37 -8.134 -2.126 -10.938 1.00 3.73 H new ATOM 0 HD22 ASN A 37 -6.900 -1.608 -12.091 1.00 3.73 H new ATOM 589 N ALA A 38 -4.786 -1.846 -7.390 1.00 1.06 N ATOM 590 CA ALA A 38 -5.044 -1.630 -5.932 1.00 1.14 C ATOM 591 C ALA A 38 -3.769 -1.160 -5.228 1.00 0.83 C ATOM 592 O ALA A 38 -3.756 -0.171 -4.522 1.00 0.68 O ATOM 593 CB ALA A 38 -5.480 -2.957 -5.303 1.00 1.40 C ATOM 0 H ALA A 38 -4.991 -2.787 -7.726 1.00 1.06 H new ATOM 0 HA ALA A 38 -5.820 -0.873 -5.820 1.00 1.14 H new ATOM 0 HB1 ALA A 38 -5.671 -2.810 -4.240 1.00 1.40 H new ATOM 0 HB2 ALA A 38 -6.390 -3.309 -5.790 1.00 1.40 H new ATOM 0 HB3 ALA A 38 -4.690 -3.697 -5.431 1.00 1.40 H new ATOM 599 N TYR A 39 -2.710 -1.891 -5.406 1.00 0.86 N ATOM 600 CA TYR A 39 -1.411 -1.550 -4.735 1.00 0.72 C ATOM 601 C TYR A 39 -0.610 -0.582 -5.605 1.00 0.62 C ATOM 602 O TYR A 39 0.315 0.053 -5.138 1.00 0.54 O ATOM 603 CB TYR A 39 -0.581 -2.830 -4.491 1.00 1.00 C ATOM 604 CG TYR A 39 -1.506 -4.016 -4.351 1.00 1.18 C ATOM 605 CD1 TYR A 39 -2.190 -4.234 -3.153 1.00 2.28 C ATOM 606 CD2 TYR A 39 -1.715 -4.863 -5.444 1.00 1.54 C ATOM 607 CE1 TYR A 39 -3.084 -5.303 -3.046 1.00 2.42 C ATOM 608 CE2 TYR A 39 -2.601 -5.934 -5.338 1.00 1.63 C ATOM 609 CZ TYR A 39 -3.289 -6.157 -4.139 1.00 1.53 C ATOM 610 OH TYR A 39 -4.171 -7.214 -4.034 1.00 1.71 O ATOM 0 H TYR A 39 -2.680 -2.724 -5.994 1.00 0.86 H new ATOM 0 HA TYR A 39 -1.630 -1.079 -3.777 1.00 0.72 H new ATOM 0 HB2 TYR A 39 0.110 -2.991 -5.319 1.00 1.00 H new ATOM 0 HB3 TYR A 39 0.022 -2.718 -3.590 1.00 1.00 H new ATOM 0 HD1 TYR A 39 -2.028 -3.578 -2.311 1.00 2.28 H new ATOM 0 HD2 TYR A 39 -1.190 -4.687 -6.371 1.00 1.54 H new ATOM 0 HE1 TYR A 39 -3.617 -5.471 -2.122 1.00 2.42 H new ATOM 0 HE2 TYR A 39 -2.757 -6.592 -6.180 1.00 1.63 H new ATOM 0 HH TYR A 39 -4.196 -7.705 -4.882 1.00 1.71 H new ATOM 620 N ARG A 40 -0.957 -0.459 -6.861 1.00 0.70 N ATOM 621 CA ARG A 40 -0.225 0.476 -7.753 1.00 0.70 C ATOM 622 C ARG A 40 -0.464 1.907 -7.263 1.00 0.67 C ATOM 623 O ARG A 40 0.467 2.655 -7.016 1.00 0.73 O ATOM 624 CB ARG A 40 -0.757 0.308 -9.177 1.00 0.85 C ATOM 625 CG ARG A 40 0.021 1.218 -10.131 1.00 0.97 C ATOM 626 CD ARG A 40 1.437 0.666 -10.337 1.00 1.03 C ATOM 627 NE ARG A 40 2.440 1.783 -10.237 1.00 1.64 N ATOM 628 CZ ARG A 40 2.342 2.883 -10.956 1.00 2.26 C ATOM 629 NH1 ARG A 40 1.481 2.987 -11.940 1.00 3.09 N ATOM 630 NH2 ARG A 40 3.162 3.871 -10.721 1.00 3.41 N ATOM 0 H ARG A 40 -1.720 -0.970 -7.304 1.00 0.70 H new ATOM 0 HA ARG A 40 0.845 0.267 -7.742 1.00 0.70 H new ATOM 0 HB2 ARG A 40 -0.660 -0.731 -9.491 1.00 0.85 H new ATOM 0 HB3 ARG A 40 -1.818 0.554 -9.210 1.00 0.85 H new ATOM 0 HG2 ARG A 40 -0.496 1.284 -11.088 1.00 0.97 H new ATOM 0 HG3 ARG A 40 0.070 2.228 -9.725 1.00 0.97 H new ATOM 0 HD2 ARG A 40 1.652 -0.096 -9.588 1.00 1.03 H new ATOM 0 HD3 ARG A 40 1.511 0.185 -11.312 1.00 1.03 H new ATOM 0 HE ARG A 40 3.223 1.685 -9.590 1.00 1.64 H new ATOM 0 HH11 ARG A 40 0.866 2.205 -12.165 1.00 3.09 H new ATOM 0 HH12 ARG A 40 1.426 3.850 -12.481 1.00 3.09 H new ATOM 0 HH21 ARG A 40 3.867 3.786 -9.989 1.00 3.41 H new ATOM 0 HH22 ARG A 40 3.098 4.728 -11.270 1.00 3.41 H new ATOM 644 N LYS A 41 -1.707 2.284 -7.104 1.00 0.63 N ATOM 645 CA LYS A 41 -2.023 3.658 -6.615 1.00 0.64 C ATOM 646 C LYS A 41 -1.651 3.760 -5.132 1.00 0.59 C ATOM 647 O LYS A 41 -1.064 4.735 -4.696 1.00 0.59 O ATOM 648 CB LYS A 41 -3.522 3.946 -6.803 1.00 0.70 C ATOM 649 CG LYS A 41 -4.365 2.947 -5.999 1.00 3.07 C ATOM 650 CD LYS A 41 -5.845 3.133 -6.340 1.00 3.61 C ATOM 651 CE LYS A 41 -6.703 2.652 -5.168 1.00 5.60 C ATOM 652 NZ LYS A 41 -8.017 3.355 -5.192 1.00 6.14 N ATOM 0 H LYS A 41 -2.519 1.696 -7.293 1.00 0.63 H new ATOM 0 HA LYS A 41 -1.451 4.391 -7.184 1.00 0.64 H new ATOM 0 HB2 LYS A 41 -3.746 4.963 -6.481 1.00 0.70 H new ATOM 0 HB3 LYS A 41 -3.781 3.882 -7.860 1.00 0.70 H new ATOM 0 HG2 LYS A 41 -4.054 1.927 -6.227 1.00 3.07 H new ATOM 0 HG3 LYS A 41 -4.206 3.098 -4.931 1.00 3.07 H new ATOM 0 HD2 LYS A 41 -6.052 4.183 -6.549 1.00 3.61 H new ATOM 0 HD3 LYS A 41 -6.095 2.573 -7.241 1.00 3.61 H new ATOM 0 HE2 LYS A 41 -6.854 1.574 -5.232 1.00 5.60 H new ATOM 0 HE3 LYS A 41 -6.192 2.847 -4.225 1.00 5.60 H new ATOM 0 HZ1 LYS A 41 -8.600 3.028 -4.395 1.00 6.14 H new ATOM 0 HZ2 LYS A 41 -7.864 4.380 -5.111 1.00 6.14 H new ATOM 0 HZ3 LYS A 41 -8.505 3.148 -6.087 1.00 6.14 H new ATOM 666 N ALA A 42 -1.982 2.755 -4.356 1.00 0.58 N ATOM 667 CA ALA A 42 -1.645 2.784 -2.903 1.00 0.59 C ATOM 668 C ALA A 42 -0.126 2.780 -2.716 1.00 0.63 C ATOM 669 O ALA A 42 0.364 3.086 -1.654 1.00 1.06 O ATOM 670 CB ALA A 42 -2.242 1.558 -2.207 1.00 0.61 C ATOM 0 H ALA A 42 -2.471 1.917 -4.669 1.00 0.58 H new ATOM 0 HA ALA A 42 -2.060 3.692 -2.465 1.00 0.59 H new ATOM 0 HB1 ALA A 42 -1.993 1.584 -1.146 1.00 0.61 H new ATOM 0 HB2 ALA A 42 -3.326 1.564 -2.325 1.00 0.61 H new ATOM 0 HB3 ALA A 42 -1.833 0.651 -2.653 1.00 0.61 H new ATOM 676 N ALA A 43 0.623 2.437 -3.733 1.00 0.48 N ATOM 677 CA ALA A 43 2.106 2.421 -3.596 1.00 0.52 C ATOM 678 C ALA A 43 2.653 3.820 -3.866 1.00 0.45 C ATOM 679 O ALA A 43 3.660 4.217 -3.316 1.00 0.49 O ATOM 680 CB ALA A 43 2.692 1.444 -4.608 1.00 0.67 C ATOM 0 H ALA A 43 0.269 2.168 -4.651 1.00 0.48 H new ATOM 0 HA ALA A 43 2.379 2.112 -2.587 1.00 0.52 H new ATOM 0 HB1 ALA A 43 3.778 1.428 -4.512 1.00 0.67 H new ATOM 0 HB2 ALA A 43 2.297 0.446 -4.421 1.00 0.67 H new ATOM 0 HB3 ALA A 43 2.421 1.758 -5.616 1.00 0.67 H new ATOM 686 N SER A 44 1.993 4.568 -4.711 1.00 0.45 N ATOM 687 CA SER A 44 2.467 5.946 -5.024 1.00 0.52 C ATOM 688 C SER A 44 2.100 6.903 -3.882 1.00 0.49 C ATOM 689 O SER A 44 2.659 7.978 -3.770 1.00 0.64 O ATOM 690 CB SER A 44 1.811 6.426 -6.319 1.00 0.64 C ATOM 691 OG SER A 44 2.680 7.339 -6.976 1.00 1.72 O ATOM 0 H SER A 44 1.144 4.282 -5.198 1.00 0.45 H new ATOM 0 HA SER A 44 3.551 5.932 -5.142 1.00 0.52 H new ATOM 0 HB2 SER A 44 1.598 5.577 -6.969 1.00 0.64 H new ATOM 0 HB3 SER A 44 0.858 6.907 -6.101 1.00 0.64 H new ATOM 0 HG SER A 44 2.263 7.647 -7.807 1.00 1.72 H new ATOM 697 N VAL A 45 1.157 6.534 -3.042 1.00 0.56 N ATOM 698 CA VAL A 45 0.756 7.444 -1.925 1.00 0.65 C ATOM 699 C VAL A 45 1.595 7.173 -0.663 1.00 0.49 C ATOM 700 O VAL A 45 1.943 8.098 0.049 1.00 0.53 O ATOM 701 CB VAL A 45 -0.742 7.261 -1.619 1.00 0.92 C ATOM 702 CG1 VAL A 45 -1.011 5.837 -1.128 1.00 0.99 C ATOM 703 CG2 VAL A 45 -1.173 8.262 -0.539 1.00 0.97 C ATOM 0 H VAL A 45 0.653 5.648 -3.084 1.00 0.56 H new ATOM 0 HA VAL A 45 0.938 8.473 -2.234 1.00 0.65 H new ATOM 0 HB VAL A 45 -1.312 7.437 -2.531 1.00 0.92 H new ATOM 0 HG11 VAL A 45 -2.074 5.720 -0.915 1.00 0.99 H new ATOM 0 HG12 VAL A 45 -0.715 5.125 -1.898 1.00 0.99 H new ATOM 0 HG13 VAL A 45 -0.436 5.650 -0.221 1.00 0.99 H new ATOM 0 HG21 VAL A 45 -2.233 8.131 -0.324 1.00 0.97 H new ATOM 0 HG22 VAL A 45 -0.595 8.090 0.369 1.00 0.97 H new ATOM 0 HG23 VAL A 45 -0.998 9.278 -0.893 1.00 0.97 H new ATOM 713 N ILE A 46 1.922 5.930 -0.367 1.00 0.58 N ATOM 714 CA ILE A 46 2.736 5.664 0.870 1.00 0.62 C ATOM 715 C ILE A 46 4.232 5.673 0.522 1.00 0.48 C ATOM 716 O ILE A 46 5.067 5.853 1.389 1.00 0.70 O ATOM 717 CB ILE A 46 2.371 4.325 1.594 1.00 1.14 C ATOM 718 CG1 ILE A 46 1.237 3.549 0.854 1.00 0.85 C ATOM 719 CG2 ILE A 46 1.965 4.664 3.036 1.00 2.71 C ATOM 720 CD1 ILE A 46 0.406 2.638 1.784 1.00 1.53 C ATOM 0 H ILE A 46 1.668 5.107 -0.914 1.00 0.58 H new ATOM 0 HA ILE A 46 2.498 6.466 1.569 1.00 0.62 H new ATOM 0 HB ILE A 46 3.237 3.663 1.592 1.00 1.14 H new ATOM 0 HG12 ILE A 46 0.572 4.266 0.372 1.00 0.85 H new ATOM 0 HG13 ILE A 46 1.679 2.942 0.064 1.00 0.85 H new ATOM 0 HG21 ILE A 46 1.705 3.748 3.566 1.00 2.71 H new ATOM 0 HG22 ILE A 46 2.797 5.152 3.543 1.00 2.71 H new ATOM 0 HG23 ILE A 46 1.105 5.333 3.024 1.00 2.71 H new ATOM 0 HD11 ILE A 46 -0.364 2.130 1.203 1.00 1.53 H new ATOM 0 HD12 ILE A 46 1.059 1.898 2.247 1.00 1.53 H new ATOM 0 HD13 ILE A 46 -0.065 3.242 2.559 1.00 1.53 H new ATOM 732 N ALA A 47 4.580 5.486 -0.729 1.00 0.48 N ATOM 733 CA ALA A 47 6.024 5.492 -1.113 1.00 0.57 C ATOM 734 C ALA A 47 6.560 6.921 -1.035 1.00 0.58 C ATOM 735 O ALA A 47 7.666 7.150 -0.583 1.00 0.74 O ATOM 736 CB ALA A 47 6.187 4.937 -2.524 1.00 0.79 C ATOM 0 H ALA A 47 3.927 5.330 -1.497 1.00 0.48 H new ATOM 0 HA ALA A 47 6.590 4.862 -0.427 1.00 0.57 H new ATOM 0 HB1 ALA A 47 7.242 4.944 -2.798 1.00 0.79 H new ATOM 0 HB2 ALA A 47 5.810 3.915 -2.559 1.00 0.79 H new ATOM 0 HB3 ALA A 47 5.626 5.555 -3.225 1.00 0.79 H new ATOM 742 N LYS A 48 5.769 7.892 -1.425 1.00 0.53 N ATOM 743 CA LYS A 48 6.226 9.310 -1.312 1.00 0.62 C ATOM 744 C LYS A 48 6.297 9.639 0.184 1.00 0.67 C ATOM 745 O LYS A 48 7.147 10.378 0.640 1.00 0.90 O ATOM 746 CB LYS A 48 5.222 10.238 -2.002 1.00 0.65 C ATOM 747 CG LYS A 48 5.724 10.583 -3.406 1.00 1.50 C ATOM 748 CD LYS A 48 4.594 11.232 -4.206 1.00 1.97 C ATOM 749 CE LYS A 48 5.188 12.133 -5.291 1.00 2.57 C ATOM 750 NZ LYS A 48 4.148 12.426 -6.318 1.00 3.64 N ATOM 0 H LYS A 48 4.835 7.764 -1.813 1.00 0.53 H new ATOM 0 HA LYS A 48 7.197 9.446 -1.789 1.00 0.62 H new ATOM 0 HB2 LYS A 48 4.247 9.755 -2.062 1.00 0.65 H new ATOM 0 HB3 LYS A 48 5.092 11.149 -1.417 1.00 0.65 H new ATOM 0 HG2 LYS A 48 6.575 11.261 -3.343 1.00 1.50 H new ATOM 0 HG3 LYS A 48 6.071 9.682 -3.912 1.00 1.50 H new ATOM 0 HD2 LYS A 48 3.967 10.464 -4.659 1.00 1.97 H new ATOM 0 HD3 LYS A 48 3.954 11.816 -3.544 1.00 1.97 H new ATOM 0 HE2 LYS A 48 5.550 13.061 -4.850 1.00 2.57 H new ATOM 0 HE3 LYS A 48 6.045 11.645 -5.755 1.00 2.57 H new ATOM 0 HZ1 LYS A 48 4.551 13.038 -7.056 1.00 3.64 H new ATOM 0 HZ2 LYS A 48 3.823 11.536 -6.747 1.00 3.64 H new ATOM 0 HZ3 LYS A 48 3.343 12.908 -5.869 1.00 3.64 H new ATOM 764 N TYR A 49 5.414 9.043 0.946 1.00 0.67 N ATOM 765 CA TYR A 49 5.392 9.231 2.424 1.00 0.93 C ATOM 766 C TYR A 49 6.748 8.761 2.991 1.00 1.09 C ATOM 767 O TYR A 49 7.425 7.990 2.339 1.00 1.14 O ATOM 768 CB TYR A 49 4.277 8.300 2.975 1.00 1.26 C ATOM 769 CG TYR A 49 3.304 8.956 3.950 1.00 1.01 C ATOM 770 CD1 TYR A 49 3.412 10.297 4.335 1.00 2.28 C ATOM 771 CD2 TYR A 49 2.255 8.176 4.457 1.00 1.97 C ATOM 772 CE1 TYR A 49 2.483 10.855 5.220 1.00 2.45 C ATOM 773 CE2 TYR A 49 1.327 8.732 5.346 1.00 2.03 C ATOM 774 CZ TYR A 49 1.441 10.072 5.726 1.00 1.46 C ATOM 775 OH TYR A 49 0.527 10.622 6.600 1.00 1.92 O ATOM 0 H TYR A 49 4.690 8.418 0.592 1.00 0.67 H new ATOM 0 HA TYR A 49 5.214 10.271 2.696 1.00 0.93 H new ATOM 0 HB2 TYR A 49 3.710 7.902 2.134 1.00 1.26 H new ATOM 0 HB3 TYR A 49 4.747 7.452 3.472 1.00 1.26 H new ATOM 0 HD1 TYR A 49 4.216 10.904 3.947 1.00 2.28 H new ATOM 0 HD2 TYR A 49 2.162 7.142 4.160 1.00 1.97 H new ATOM 0 HE1 TYR A 49 2.571 11.891 5.512 1.00 2.45 H new ATOM 0 HE2 TYR A 49 0.524 8.126 5.738 1.00 2.03 H new ATOM 0 HH TYR A 49 0.415 11.575 6.400 1.00 1.92 H new ATOM 785 N PRO A 50 7.096 9.169 4.202 1.00 1.29 N ATOM 786 CA PRO A 50 8.339 8.693 4.818 1.00 1.54 C ATOM 787 C PRO A 50 8.192 7.186 5.116 1.00 1.50 C ATOM 788 O PRO A 50 9.154 6.525 5.452 1.00 1.73 O ATOM 789 CB PRO A 50 8.481 9.499 6.116 1.00 1.85 C ATOM 790 CG PRO A 50 7.251 10.430 6.222 1.00 1.72 C ATOM 791 CD PRO A 50 6.326 10.109 5.039 1.00 1.41 C ATOM 0 HA PRO A 50 9.214 8.823 4.181 1.00 1.54 H new ATOM 0 HB2 PRO A 50 8.533 8.833 6.977 1.00 1.85 H new ATOM 0 HB3 PRO A 50 9.403 10.081 6.107 1.00 1.85 H new ATOM 0 HG2 PRO A 50 6.732 10.274 7.168 1.00 1.72 H new ATOM 0 HG3 PRO A 50 7.558 11.476 6.196 1.00 1.72 H new ATOM 0 HD2 PRO A 50 5.391 9.662 5.378 1.00 1.41 H new ATOM 0 HD3 PRO A 50 6.066 11.011 4.484 1.00 1.41 H new ATOM 799 N HIS A 51 6.982 6.641 4.989 1.00 1.29 N ATOM 800 CA HIS A 51 6.738 5.188 5.242 1.00 1.32 C ATOM 801 C HIS A 51 6.645 4.921 6.740 1.00 1.25 C ATOM 802 O HIS A 51 6.684 5.824 7.552 1.00 1.80 O ATOM 803 CB HIS A 51 7.842 4.307 4.643 1.00 1.69 C ATOM 804 CG HIS A 51 8.212 4.784 3.265 1.00 1.68 C ATOM 805 ND1 HIS A 51 9.418 5.413 3.000 1.00 2.32 N ATOM 806 CD2 HIS A 51 7.554 4.716 2.063 1.00 2.80 C ATOM 807 CE1 HIS A 51 9.449 5.696 1.686 1.00 3.04 C ATOM 808 NE2 HIS A 51 8.337 5.291 1.068 1.00 3.52 N ATOM 0 H HIS A 51 6.150 7.164 4.715 1.00 1.29 H new ATOM 0 HA HIS A 51 5.796 4.933 4.757 1.00 1.32 H new ATOM 0 HB2 HIS A 51 8.720 4.326 5.288 1.00 1.69 H new ATOM 0 HB3 HIS A 51 7.503 3.272 4.597 1.00 1.69 H new ATOM 0 HD1 HIS A 51 10.150 5.623 3.679 1.00 2.32 H new ATOM 0 HD2 HIS A 51 6.577 4.282 1.912 1.00 2.80 H new ATOM 0 HE1 HIS A 51 10.272 6.190 1.191 1.00 3.04 H new ATOM 816 N LYS A 52 6.517 3.669 7.099 1.00 1.14 N ATOM 817 CA LYS A 52 6.407 3.265 8.536 1.00 1.17 C ATOM 818 C LYS A 52 5.407 4.164 9.282 1.00 1.26 C ATOM 819 O LYS A 52 5.784 5.148 9.891 1.00 2.16 O ATOM 820 CB LYS A 52 7.779 3.364 9.204 1.00 1.49 C ATOM 821 CG LYS A 52 8.788 2.507 8.436 1.00 3.01 C ATOM 822 CD LYS A 52 10.160 3.183 8.461 1.00 4.18 C ATOM 823 CE LYS A 52 11.245 2.147 8.164 1.00 5.77 C ATOM 824 NZ LYS A 52 11.513 2.117 6.698 1.00 7.47 N ATOM 0 H LYS A 52 6.483 2.891 6.441 1.00 1.14 H new ATOM 0 HA LYS A 52 6.049 2.237 8.579 1.00 1.17 H new ATOM 0 HB2 LYS A 52 8.110 4.402 9.225 1.00 1.49 H new ATOM 0 HB3 LYS A 52 7.716 3.029 10.239 1.00 1.49 H new ATOM 0 HG2 LYS A 52 8.852 1.515 8.883 1.00 3.01 H new ATOM 0 HG3 LYS A 52 8.457 2.372 7.406 1.00 3.01 H new ATOM 0 HD2 LYS A 52 10.196 3.984 7.723 1.00 4.18 H new ATOM 0 HD3 LYS A 52 10.335 3.639 9.435 1.00 4.18 H new ATOM 0 HE2 LYS A 52 12.157 2.394 8.707 1.00 5.77 H new ATOM 0 HE3 LYS A 52 10.927 1.162 8.507 1.00 5.77 H new ATOM 0 HZ1 LYS A 52 12.251 1.413 6.494 1.00 7.47 H new ATOM 0 HZ2 LYS A 52 10.642 1.862 6.191 1.00 7.47 H new ATOM 0 HZ3 LYS A 52 11.834 3.055 6.385 1.00 7.47 H new ATOM 838 N ILE A 53 4.143 3.831 9.235 1.00 1.15 N ATOM 839 CA ILE A 53 3.120 4.663 9.938 1.00 1.35 C ATOM 840 C ILE A 53 2.624 3.924 11.184 1.00 1.41 C ATOM 841 O ILE A 53 2.231 2.774 11.120 1.00 1.52 O ATOM 842 CB ILE A 53 1.940 4.948 8.999 1.00 1.49 C ATOM 843 CG1 ILE A 53 1.482 3.651 8.322 1.00 1.72 C ATOM 844 CG2 ILE A 53 2.375 5.950 7.929 1.00 1.99 C ATOM 845 CD1 ILE A 53 -0.035 3.681 8.128 1.00 2.06 C ATOM 0 H ILE A 53 3.775 3.019 8.740 1.00 1.15 H new ATOM 0 HA ILE A 53 3.572 5.609 10.236 1.00 1.35 H new ATOM 0 HB ILE A 53 1.114 5.360 9.579 1.00 1.49 H new ATOM 0 HG12 ILE A 53 1.980 3.536 7.359 1.00 1.72 H new ATOM 0 HG13 ILE A 53 1.764 2.792 8.931 1.00 1.72 H new ATOM 0 HG21 ILE A 53 1.539 6.154 7.260 1.00 1.99 H new ATOM 0 HG22 ILE A 53 2.693 6.877 8.406 1.00 1.99 H new ATOM 0 HG23 ILE A 53 3.204 5.534 7.356 1.00 1.99 H new ATOM 0 HD11 ILE A 53 -0.359 2.758 7.647 1.00 2.06 H new ATOM 0 HD12 ILE A 53 -0.524 3.775 9.098 1.00 2.06 H new ATOM 0 HD13 ILE A 53 -0.305 4.531 7.501 1.00 2.06 H new ATOM 857 N LYS A 54 2.648 4.579 12.316 1.00 1.64 N ATOM 858 CA LYS A 54 2.186 3.928 13.577 1.00 1.78 C ATOM 859 C LYS A 54 0.658 3.835 13.577 1.00 1.81 C ATOM 860 O LYS A 54 0.091 2.812 13.910 1.00 2.07 O ATOM 861 CB LYS A 54 2.645 4.760 14.777 1.00 2.20 C ATOM 862 CG LYS A 54 2.780 3.858 16.005 1.00 2.68 C ATOM 863 CD LYS A 54 3.804 4.461 16.970 1.00 3.28 C ATOM 864 CE LYS A 54 3.953 3.549 18.189 1.00 4.27 C ATOM 865 NZ LYS A 54 5.328 3.690 18.747 1.00 5.04 N ATOM 0 H LYS A 54 2.969 5.541 12.421 1.00 1.64 H new ATOM 0 HA LYS A 54 2.610 2.926 13.643 1.00 1.78 H new ATOM 0 HB2 LYS A 54 3.600 5.238 14.557 1.00 2.20 H new ATOM 0 HB3 LYS A 54 1.928 5.557 14.975 1.00 2.20 H new ATOM 0 HG2 LYS A 54 1.815 3.753 16.501 1.00 2.68 H new ATOM 0 HG3 LYS A 54 3.093 2.859 15.703 1.00 2.68 H new ATOM 0 HD2 LYS A 54 4.766 4.578 16.470 1.00 3.28 H new ATOM 0 HD3 LYS A 54 3.484 5.455 17.283 1.00 3.28 H new ATOM 0 HE2 LYS A 54 3.213 3.811 18.945 1.00 4.27 H new ATOM 0 HE3 LYS A 54 3.768 2.513 17.907 1.00 4.27 H new ATOM 0 HZ1 LYS A 54 5.431 3.071 19.576 1.00 5.04 H new ATOM 0 HZ2 LYS A 54 6.025 3.420 18.024 1.00 5.04 H new ATOM 0 HZ3 LYS A 54 5.488 4.678 19.031 1.00 5.04 H new ATOM 879 N SER A 55 -0.009 4.899 13.206 1.00 2.01 N ATOM 880 CA SER A 55 -1.501 4.883 13.184 1.00 2.23 C ATOM 881 C SER A 55 -1.987 4.154 11.930 1.00 1.89 C ATOM 882 O SER A 55 -1.335 4.167 10.902 1.00 2.72 O ATOM 883 CB SER A 55 -2.026 6.319 13.174 1.00 2.78 C ATOM 884 OG SER A 55 -2.049 6.819 14.505 1.00 3.47 O ATOM 0 H SER A 55 0.418 5.779 12.917 1.00 2.01 H new ATOM 0 HA SER A 55 -1.871 4.366 14.070 1.00 2.23 H new ATOM 0 HB2 SER A 55 -1.391 6.946 12.548 1.00 2.78 H new ATOM 0 HB3 SER A 55 -3.027 6.350 12.744 1.00 2.78 H new ATOM 0 HG SER A 55 -2.383 7.740 14.503 1.00 3.47 H new ATOM 890 N GLY A 56 -3.130 3.521 12.009 1.00 1.46 N ATOM 891 CA GLY A 56 -3.672 2.788 10.827 1.00 1.37 C ATOM 892 C GLY A 56 -4.467 3.742 9.924 1.00 1.09 C ATOM 893 O GLY A 56 -4.779 3.412 8.796 1.00 1.23 O ATOM 0 H GLY A 56 -3.713 3.481 12.845 1.00 1.46 H new ATOM 0 HA2 GLY A 56 -2.854 2.340 10.263 1.00 1.37 H new ATOM 0 HA3 GLY A 56 -4.314 1.972 11.160 1.00 1.37 H new ATOM 897 N ALA A 57 -4.801 4.919 10.407 1.00 1.04 N ATOM 898 CA ALA A 57 -5.579 5.883 9.571 1.00 1.09 C ATOM 899 C ALA A 57 -4.633 6.802 8.786 1.00 0.98 C ATOM 900 O ALA A 57 -5.017 7.883 8.380 1.00 1.20 O ATOM 901 CB ALA A 57 -6.468 6.735 10.480 1.00 1.29 C ATOM 0 H ALA A 57 -4.567 5.250 11.343 1.00 1.04 H new ATOM 0 HA ALA A 57 -6.191 5.322 8.865 1.00 1.09 H new ATOM 0 HB1 ALA A 57 -7.038 7.440 9.875 1.00 1.29 H new ATOM 0 HB2 ALA A 57 -7.155 6.089 11.027 1.00 1.29 H new ATOM 0 HB3 ALA A 57 -5.846 7.284 11.187 1.00 1.29 H new ATOM 907 N GLU A 58 -3.407 6.388 8.566 1.00 1.01 N ATOM 908 CA GLU A 58 -2.450 7.245 7.803 1.00 0.96 C ATOM 909 C GLU A 58 -2.636 6.999 6.303 1.00 0.92 C ATOM 910 O GLU A 58 -2.678 7.923 5.513 1.00 0.91 O ATOM 911 CB GLU A 58 -1.015 6.891 8.212 1.00 1.08 C ATOM 912 CG GLU A 58 -0.177 8.169 8.316 1.00 2.09 C ATOM 913 CD GLU A 58 -0.114 8.626 9.775 1.00 2.02 C ATOM 914 OE1 GLU A 58 -1.126 8.529 10.450 1.00 2.70 O ATOM 915 OE2 GLU A 58 0.945 9.064 10.194 1.00 2.95 O ATOM 0 H GLU A 58 -3.030 5.494 8.882 1.00 1.01 H new ATOM 0 HA GLU A 58 -2.639 8.296 8.023 1.00 0.96 H new ATOM 0 HB2 GLU A 58 -1.018 6.368 9.168 1.00 1.08 H new ATOM 0 HB3 GLU A 58 -0.574 6.214 7.480 1.00 1.08 H new ATOM 0 HG2 GLU A 58 0.829 7.988 7.938 1.00 2.09 H new ATOM 0 HG3 GLU A 58 -0.614 8.953 7.698 1.00 2.09 H new ATOM 922 N ALA A 59 -2.751 5.756 5.911 1.00 1.03 N ATOM 923 CA ALA A 59 -2.941 5.435 4.468 1.00 1.12 C ATOM 924 C ALA A 59 -4.376 5.774 4.043 1.00 0.99 C ATOM 925 O ALA A 59 -4.652 5.967 2.875 1.00 0.99 O ATOM 926 CB ALA A 59 -2.683 3.944 4.240 1.00 1.51 C ATOM 0 H ALA A 59 -2.721 4.948 6.532 1.00 1.03 H new ATOM 0 HA ALA A 59 -2.242 6.024 3.875 1.00 1.12 H new ATOM 0 HB1 ALA A 59 -2.822 3.708 3.185 1.00 1.51 H new ATOM 0 HB2 ALA A 59 -1.662 3.702 4.535 1.00 1.51 H new ATOM 0 HB3 ALA A 59 -3.381 3.358 4.838 1.00 1.51 H new ATOM 932 N LYS A 60 -5.292 5.838 4.981 1.00 1.01 N ATOM 933 CA LYS A 60 -6.707 6.153 4.632 1.00 1.07 C ATOM 934 C LYS A 60 -6.909 7.670 4.566 1.00 0.84 C ATOM 935 O LYS A 60 -7.693 8.160 3.775 1.00 0.95 O ATOM 936 CB LYS A 60 -7.634 5.564 5.698 1.00 1.47 C ATOM 937 CG LYS A 60 -9.033 5.373 5.109 1.00 1.74 C ATOM 938 CD LYS A 60 -9.980 4.865 6.199 1.00 1.89 C ATOM 939 CE LYS A 60 -11.017 3.928 5.577 1.00 2.82 C ATOM 940 NZ LYS A 60 -12.015 3.537 6.613 1.00 3.13 N ATOM 0 H LYS A 60 -5.116 5.685 5.974 1.00 1.01 H new ATOM 0 HA LYS A 60 -6.939 5.721 3.659 1.00 1.07 H new ATOM 0 HB2 LYS A 60 -7.242 4.609 6.049 1.00 1.47 H new ATOM 0 HB3 LYS A 60 -7.679 6.227 6.562 1.00 1.47 H new ATOM 0 HG2 LYS A 60 -9.400 6.316 4.703 1.00 1.74 H new ATOM 0 HG3 LYS A 60 -8.998 4.663 4.283 1.00 1.74 H new ATOM 0 HD2 LYS A 60 -9.416 4.340 6.970 1.00 1.89 H new ATOM 0 HD3 LYS A 60 -10.477 5.705 6.684 1.00 1.89 H new ATOM 0 HE2 LYS A 60 -11.516 4.422 4.743 1.00 2.82 H new ATOM 0 HE3 LYS A 60 -10.527 3.041 5.175 1.00 2.82 H new ATOM 0 HZ1 LYS A 60 -12.721 2.900 6.192 1.00 3.13 H new ATOM 0 HZ2 LYS A 60 -11.532 3.050 7.394 1.00 3.13 H new ATOM 0 HZ3 LYS A 60 -12.490 4.388 6.976 1.00 3.13 H new ATOM 954 N LYS A 61 -6.215 8.416 5.392 1.00 0.79 N ATOM 955 CA LYS A 61 -6.380 9.902 5.376 1.00 1.05 C ATOM 956 C LYS A 61 -5.786 10.476 4.086 1.00 1.10 C ATOM 957 O LYS A 61 -6.273 11.456 3.556 1.00 1.44 O ATOM 958 CB LYS A 61 -5.681 10.520 6.594 1.00 1.26 C ATOM 959 CG LYS A 61 -4.192 10.166 6.585 1.00 1.67 C ATOM 960 CD LYS A 61 -3.466 10.962 7.676 1.00 2.05 C ATOM 961 CE LYS A 61 -2.113 11.441 7.147 1.00 2.39 C ATOM 962 NZ LYS A 61 -1.182 11.663 8.291 1.00 3.60 N ATOM 0 H LYS A 61 -5.544 8.061 6.074 1.00 0.79 H new ATOM 0 HA LYS A 61 -7.442 10.143 5.418 1.00 1.05 H new ATOM 0 HB2 LYS A 61 -5.805 11.603 6.583 1.00 1.26 H new ATOM 0 HB3 LYS A 61 -6.143 10.156 7.511 1.00 1.26 H new ATOM 0 HG2 LYS A 61 -4.061 9.097 6.753 1.00 1.67 H new ATOM 0 HG3 LYS A 61 -3.761 10.390 5.609 1.00 1.67 H new ATOM 0 HD2 LYS A 61 -4.071 11.815 7.981 1.00 2.05 H new ATOM 0 HD3 LYS A 61 -3.323 10.340 8.560 1.00 2.05 H new ATOM 0 HE2 LYS A 61 -1.696 10.702 6.463 1.00 2.39 H new ATOM 0 HE3 LYS A 61 -2.238 12.364 6.581 1.00 2.39 H new ATOM 0 HZ1 LYS A 61 -0.236 11.311 8.042 1.00 3.60 H new ATOM 0 HZ2 LYS A 61 -1.129 12.680 8.503 1.00 3.60 H new ATOM 0 HZ3 LYS A 61 -1.532 11.153 9.127 1.00 3.60 H new ATOM 976 N LEU A 62 -4.740 9.872 3.576 1.00 1.02 N ATOM 977 CA LEU A 62 -4.116 10.381 2.318 1.00 1.43 C ATOM 978 C LEU A 62 -5.138 10.255 1.165 1.00 1.49 C ATOM 979 O LEU A 62 -5.490 9.150 0.801 1.00 1.45 O ATOM 980 CB LEU A 62 -2.875 9.547 1.989 1.00 1.67 C ATOM 981 CG LEU A 62 -1.904 9.575 3.173 1.00 1.71 C ATOM 982 CD1 LEU A 62 -1.074 8.290 3.182 1.00 1.77 C ATOM 983 CD2 LEU A 62 -0.969 10.781 3.044 1.00 1.83 C ATOM 0 H LEU A 62 -4.292 9.048 3.978 1.00 1.02 H new ATOM 0 HA LEU A 62 -3.827 11.424 2.446 1.00 1.43 H new ATOM 0 HB2 LEU A 62 -3.164 8.520 1.768 1.00 1.67 H new ATOM 0 HB3 LEU A 62 -2.387 9.940 1.097 1.00 1.67 H new ATOM 0 HG LEU A 62 -2.470 9.652 4.101 1.00 1.71 H new ATOM 0 HD11 LEU A 62 -0.383 8.309 4.024 1.00 1.77 H new ATOM 0 HD12 LEU A 62 -1.737 7.430 3.276 1.00 1.77 H new ATOM 0 HD13 LEU A 62 -0.511 8.214 2.252 1.00 1.77 H new ATOM 0 HD21 LEU A 62 -0.279 10.798 3.888 1.00 1.83 H new ATOM 0 HD22 LEU A 62 -0.404 10.706 2.115 1.00 1.83 H new ATOM 0 HD23 LEU A 62 -1.557 11.699 3.037 1.00 1.83 H new ATOM 995 N PRO A 63 -5.604 11.372 0.616 1.00 1.87 N ATOM 996 CA PRO A 63 -6.589 11.327 -0.483 1.00 2.00 C ATOM 997 C PRO A 63 -6.012 10.582 -1.692 1.00 2.17 C ATOM 998 O PRO A 63 -4.817 10.578 -1.916 1.00 2.85 O ATOM 999 CB PRO A 63 -6.867 12.798 -0.834 1.00 2.57 C ATOM 1000 CG PRO A 63 -5.997 13.677 0.098 1.00 2.88 C ATOM 1001 CD PRO A 63 -5.205 12.739 1.023 1.00 2.40 C ATOM 0 HA PRO A 63 -7.498 10.799 -0.196 1.00 2.00 H new ATOM 0 HB2 PRO A 63 -6.626 12.994 -1.879 1.00 2.57 H new ATOM 0 HB3 PRO A 63 -7.924 13.030 -0.701 1.00 2.57 H new ATOM 0 HG2 PRO A 63 -5.319 14.299 -0.487 1.00 2.88 H new ATOM 0 HG3 PRO A 63 -6.624 14.351 0.683 1.00 2.88 H new ATOM 0 HD2 PRO A 63 -4.131 12.887 0.909 1.00 2.40 H new ATOM 0 HD3 PRO A 63 -5.443 12.924 2.070 1.00 2.40 H new ATOM 1009 N GLY A 64 -6.859 9.960 -2.473 1.00 2.51 N ATOM 1010 CA GLY A 64 -6.374 9.216 -3.674 1.00 2.86 C ATOM 1011 C GLY A 64 -6.443 7.710 -3.417 1.00 2.66 C ATOM 1012 O GLY A 64 -7.011 6.966 -4.195 1.00 3.01 O ATOM 0 H GLY A 64 -7.869 9.936 -2.330 1.00 2.51 H new ATOM 0 HA2 GLY A 64 -6.981 9.474 -4.542 1.00 2.86 H new ATOM 0 HA3 GLY A 64 -5.349 9.508 -3.904 1.00 2.86 H new ATOM 1016 N VAL A 65 -5.863 7.256 -2.335 1.00 2.31 N ATOM 1017 CA VAL A 65 -5.880 5.794 -2.023 1.00 2.32 C ATOM 1018 C VAL A 65 -6.440 5.585 -0.614 1.00 2.04 C ATOM 1019 O VAL A 65 -6.065 6.273 0.318 1.00 2.53 O ATOM 1020 CB VAL A 65 -4.448 5.246 -2.084 1.00 2.68 C ATOM 1021 CG1 VAL A 65 -4.468 3.714 -1.978 1.00 2.70 C ATOM 1022 CG2 VAL A 65 -3.780 5.662 -3.407 1.00 3.34 C ATOM 0 H VAL A 65 -5.377 7.837 -1.652 1.00 2.31 H new ATOM 0 HA VAL A 65 -6.504 5.272 -2.748 1.00 2.32 H new ATOM 0 HB VAL A 65 -3.879 5.657 -1.250 1.00 2.68 H new ATOM 0 HG11 VAL A 65 -3.448 3.333 -2.022 1.00 2.70 H new ATOM 0 HG12 VAL A 65 -4.924 3.421 -1.033 1.00 2.70 H new ATOM 0 HG13 VAL A 65 -5.046 3.300 -2.804 1.00 2.70 H new ATOM 0 HG21 VAL A 65 -2.764 5.269 -3.441 1.00 3.34 H new ATOM 0 HG22 VAL A 65 -4.352 5.263 -4.245 1.00 3.34 H new ATOM 0 HG23 VAL A 65 -3.750 6.750 -3.473 1.00 3.34 H new ATOM 1032 N GLY A 66 -7.333 4.640 -0.449 1.00 1.81 N ATOM 1033 CA GLY A 66 -7.917 4.384 0.902 1.00 2.04 C ATOM 1034 C GLY A 66 -9.341 3.844 0.754 1.00 2.01 C ATOM 1035 O GLY A 66 -10.297 4.596 0.735 1.00 3.34 O ATOM 0 H GLY A 66 -7.682 4.035 -1.193 1.00 1.81 H new ATOM 0 HA2 GLY A 66 -7.301 3.668 1.445 1.00 2.04 H new ATOM 0 HA3 GLY A 66 -7.926 5.305 1.486 1.00 2.04 H new ATOM 1039 N THR A 67 -9.485 2.547 0.653 1.00 1.49 N ATOM 1040 CA THR A 67 -10.844 1.946 0.509 1.00 2.00 C ATOM 1041 C THR A 67 -10.778 0.452 0.823 1.00 1.79 C ATOM 1042 O THR A 67 -11.625 -0.087 1.510 1.00 2.79 O ATOM 1043 CB THR A 67 -11.341 2.140 -0.926 1.00 2.85 C ATOM 1044 OG1 THR A 67 -11.125 3.485 -1.327 1.00 3.56 O ATOM 1045 CG2 THR A 67 -12.834 1.816 -1.000 1.00 3.51 C ATOM 0 H THR A 67 -8.716 1.877 0.664 1.00 1.49 H new ATOM 0 HA THR A 67 -11.529 2.435 1.201 1.00 2.00 H new ATOM 0 HB THR A 67 -10.793 1.472 -1.591 1.00 2.85 H new ATOM 0 HG1 THR A 67 -11.235 4.078 -0.555 1.00 3.56 H new ATOM 0 HG21 THR A 67 -13.186 1.955 -2.022 1.00 3.51 H new ATOM 0 HG22 THR A 67 -12.997 0.782 -0.697 1.00 3.51 H new ATOM 0 HG23 THR A 67 -13.384 2.480 -0.334 1.00 3.51 H new ATOM 1053 N LYS A 68 -9.776 -0.222 0.318 1.00 1.54 N ATOM 1054 CA LYS A 68 -9.645 -1.688 0.574 1.00 1.35 C ATOM 1055 C LYS A 68 -8.192 -2.033 0.919 1.00 1.13 C ATOM 1056 O LYS A 68 -7.931 -2.828 1.801 1.00 1.34 O ATOM 1057 CB LYS A 68 -10.069 -2.463 -0.677 1.00 1.42 C ATOM 1058 CG LYS A 68 -9.287 -1.947 -1.890 1.00 3.05 C ATOM 1059 CD LYS A 68 -9.940 -2.455 -3.185 1.00 3.78 C ATOM 1060 CE LYS A 68 -9.058 -3.529 -3.827 1.00 4.81 C ATOM 1061 NZ LYS A 68 -9.097 -3.380 -5.309 1.00 6.38 N ATOM 0 H LYS A 68 -9.041 0.182 -0.262 1.00 1.54 H new ATOM 0 HA LYS A 68 -10.286 -1.963 1.412 1.00 1.35 H new ATOM 0 HB2 LYS A 68 -9.883 -3.528 -0.538 1.00 1.42 H new ATOM 0 HB3 LYS A 68 -11.140 -2.345 -0.845 1.00 1.42 H new ATOM 0 HG2 LYS A 68 -9.268 -0.857 -1.885 1.00 3.05 H new ATOM 0 HG3 LYS A 68 -8.252 -2.284 -1.837 1.00 3.05 H new ATOM 0 HD2 LYS A 68 -10.927 -2.864 -2.969 1.00 3.78 H new ATOM 0 HD3 LYS A 68 -10.083 -1.627 -3.879 1.00 3.78 H new ATOM 0 HE2 LYS A 68 -8.033 -3.436 -3.468 1.00 4.81 H new ATOM 0 HE3 LYS A 68 -9.407 -4.521 -3.541 1.00 4.81 H new ATOM 0 HZ1 LYS A 68 -8.498 -4.109 -5.747 1.00 6.38 H new ATOM 0 HZ2 LYS A 68 -10.076 -3.489 -5.643 1.00 6.38 H new ATOM 0 HZ3 LYS A 68 -8.744 -2.438 -5.573 1.00 6.38 H new ATOM 1075 N ILE A 69 -7.249 -1.448 0.224 1.00 0.85 N ATOM 1076 CA ILE A 69 -5.810 -1.741 0.502 1.00 0.73 C ATOM 1077 C ILE A 69 -5.452 -1.319 1.933 1.00 0.76 C ATOM 1078 O ILE A 69 -4.495 -1.805 2.503 1.00 0.84 O ATOM 1079 CB ILE A 69 -4.934 -0.970 -0.493 1.00 0.63 C ATOM 1080 CG1 ILE A 69 -5.330 -1.346 -1.931 1.00 0.66 C ATOM 1081 CG2 ILE A 69 -3.455 -1.308 -0.262 1.00 0.87 C ATOM 1082 CD1 ILE A 69 -5.123 -2.847 -2.173 1.00 2.22 C ATOM 0 H ILE A 69 -7.415 -0.778 -0.527 1.00 0.85 H new ATOM 0 HA ILE A 69 -5.636 -2.812 0.394 1.00 0.73 H new ATOM 0 HB ILE A 69 -5.083 0.099 -0.343 1.00 0.63 H new ATOM 0 HG12 ILE A 69 -6.373 -1.084 -2.107 1.00 0.66 H new ATOM 0 HG13 ILE A 69 -4.733 -0.772 -2.640 1.00 0.66 H new ATOM 0 HG21 ILE A 69 -2.840 -0.756 -0.973 1.00 0.87 H new ATOM 0 HG22 ILE A 69 -3.173 -1.031 0.754 1.00 0.87 H new ATOM 0 HG23 ILE A 69 -3.300 -2.378 -0.402 1.00 0.87 H new ATOM 0 HD11 ILE A 69 -5.409 -3.093 -3.196 1.00 2.22 H new ATOM 0 HD12 ILE A 69 -4.074 -3.099 -2.018 1.00 2.22 H new ATOM 0 HD13 ILE A 69 -5.739 -3.416 -1.477 1.00 2.22 H new ATOM 1094 N ALA A 70 -6.206 -0.415 2.518 1.00 0.76 N ATOM 1095 CA ALA A 70 -5.901 0.045 3.913 1.00 0.83 C ATOM 1096 C ALA A 70 -5.766 -1.157 4.857 1.00 0.83 C ATOM 1097 O ALA A 70 -5.068 -1.099 5.851 1.00 0.93 O ATOM 1098 CB ALA A 70 -7.029 0.952 4.405 1.00 0.92 C ATOM 0 H ALA A 70 -7.020 0.024 2.089 1.00 0.76 H new ATOM 0 HA ALA A 70 -4.959 0.593 3.905 1.00 0.83 H new ATOM 0 HB1 ALA A 70 -6.810 1.288 5.419 1.00 0.92 H new ATOM 0 HB2 ALA A 70 -7.114 1.817 3.747 1.00 0.92 H new ATOM 0 HB3 ALA A 70 -7.968 0.399 4.401 1.00 0.92 H new ATOM 1104 N GLU A 71 -6.426 -2.244 4.546 1.00 0.79 N ATOM 1105 CA GLU A 71 -6.337 -3.453 5.416 1.00 0.85 C ATOM 1106 C GLU A 71 -4.937 -4.059 5.296 1.00 0.78 C ATOM 1107 O GLU A 71 -4.324 -4.424 6.281 1.00 0.78 O ATOM 1108 CB GLU A 71 -7.378 -4.483 4.970 1.00 0.95 C ATOM 1109 CG GLU A 71 -7.854 -5.287 6.181 1.00 1.50 C ATOM 1110 CD GLU A 71 -8.660 -4.380 7.112 1.00 2.31 C ATOM 1111 OE1 GLU A 71 -9.774 -4.036 6.753 1.00 3.06 O ATOM 1112 OE2 GLU A 71 -8.151 -4.046 8.169 1.00 3.60 O ATOM 0 H GLU A 71 -7.023 -2.345 3.725 1.00 0.79 H new ATOM 0 HA GLU A 71 -6.527 -3.172 6.452 1.00 0.85 H new ATOM 0 HB2 GLU A 71 -8.223 -3.981 4.499 1.00 0.95 H new ATOM 0 HB3 GLU A 71 -6.948 -5.151 4.224 1.00 0.95 H new ATOM 0 HG2 GLU A 71 -8.467 -6.127 5.855 1.00 1.50 H new ATOM 0 HG3 GLU A 71 -6.999 -5.704 6.713 1.00 1.50 H new ATOM 1119 N LYS A 72 -4.429 -4.164 4.093 1.00 0.78 N ATOM 1120 CA LYS A 72 -3.067 -4.741 3.896 1.00 0.78 C ATOM 1121 C LYS A 72 -2.033 -3.846 4.583 1.00 0.74 C ATOM 1122 O LYS A 72 -1.029 -4.316 5.091 1.00 0.76 O ATOM 1123 CB LYS A 72 -2.759 -4.824 2.400 1.00 0.84 C ATOM 1124 CG LYS A 72 -3.737 -5.791 1.731 1.00 1.65 C ATOM 1125 CD LYS A 72 -3.033 -6.517 0.583 1.00 1.47 C ATOM 1126 CE LYS A 72 -3.876 -7.718 0.146 1.00 2.19 C ATOM 1127 NZ LYS A 72 -3.431 -8.932 0.887 1.00 2.40 N ATOM 0 H LYS A 72 -4.902 -3.873 3.237 1.00 0.78 H new ATOM 0 HA LYS A 72 -3.028 -5.741 4.329 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -2.840 -3.836 1.946 1.00 0.84 H new ATOM 0 HB3 LYS A 72 -1.734 -5.163 2.247 1.00 0.84 H new ATOM 0 HG2 LYS A 72 -4.107 -6.513 2.459 1.00 1.65 H new ATOM 0 HG3 LYS A 72 -4.603 -5.246 1.354 1.00 1.65 H new ATOM 0 HD2 LYS A 72 -2.887 -5.837 -0.256 1.00 1.47 H new ATOM 0 HD3 LYS A 72 -2.044 -6.849 0.900 1.00 1.47 H new ATOM 0 HE2 LYS A 72 -4.931 -7.526 0.341 1.00 2.19 H new ATOM 0 HE3 LYS A 72 -3.774 -7.876 -0.928 1.00 2.19 H new ATOM 0 HZ1 LYS A 72 -4.003 -9.749 0.591 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 -2.429 -9.118 0.679 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 -3.550 -8.778 1.909 1.00 2.40 H new ATOM 1141 N ILE A 73 -2.278 -2.559 4.611 1.00 0.74 N ATOM 1142 CA ILE A 73 -1.321 -1.623 5.272 1.00 0.75 C ATOM 1143 C ILE A 73 -1.245 -1.971 6.761 1.00 0.73 C ATOM 1144 O ILE A 73 -0.195 -1.898 7.377 1.00 0.78 O ATOM 1145 CB ILE A 73 -1.807 -0.177 5.101 1.00 0.85 C ATOM 1146 CG1 ILE A 73 -2.045 0.129 3.611 1.00 1.01 C ATOM 1147 CG2 ILE A 73 -0.755 0.787 5.655 1.00 0.88 C ATOM 1148 CD1 ILE A 73 -0.750 -0.068 2.811 1.00 0.90 C ATOM 0 H ILE A 73 -3.102 -2.117 4.203 1.00 0.74 H new ATOM 0 HA ILE A 73 -0.335 -1.718 4.818 1.00 0.75 H new ATOM 0 HB ILE A 73 -2.743 -0.052 5.646 1.00 0.85 H new ATOM 0 HG12 ILE A 73 -2.825 -0.524 3.219 1.00 1.01 H new ATOM 0 HG13 ILE A 73 -2.399 1.153 3.496 1.00 1.01 H new ATOM 0 HG21 ILE A 73 -1.102 1.813 5.533 1.00 0.88 H new ATOM 0 HG22 ILE A 73 -0.595 0.582 6.713 1.00 0.88 H new ATOM 0 HG23 ILE A 73 0.182 0.654 5.114 1.00 0.88 H new ATOM 0 HD11 ILE A 73 -0.935 0.152 1.760 1.00 0.90 H new ATOM 0 HD12 ILE A 73 0.019 0.603 3.193 1.00 0.90 H new ATOM 0 HD13 ILE A 73 -0.413 -1.100 2.912 1.00 0.90 H new ATOM 1160 N ASP A 74 -2.352 -2.369 7.335 1.00 0.78 N ATOM 1161 CA ASP A 74 -2.362 -2.748 8.777 1.00 0.84 C ATOM 1162 C ASP A 74 -1.603 -4.065 8.952 1.00 0.75 C ATOM 1163 O ASP A 74 -1.015 -4.318 9.986 1.00 0.80 O ATOM 1164 CB ASP A 74 -3.806 -2.922 9.252 1.00 0.96 C ATOM 1165 CG ASP A 74 -4.358 -1.572 9.714 1.00 1.59 C ATOM 1166 OD1 ASP A 74 -3.595 -0.806 10.281 1.00 2.09 O ATOM 1167 OD2 ASP A 74 -5.532 -1.328 9.496 1.00 2.93 O ATOM 0 H ASP A 74 -3.253 -2.447 6.863 1.00 0.78 H new ATOM 0 HA ASP A 74 -1.883 -1.966 9.366 1.00 0.84 H new ATOM 0 HB2 ASP A 74 -4.420 -3.321 8.444 1.00 0.96 H new ATOM 0 HB3 ASP A 74 -3.847 -3.642 10.069 1.00 0.96 H new ATOM 1172 N GLU A 75 -1.605 -4.903 7.940 1.00 0.72 N ATOM 1173 CA GLU A 75 -0.877 -6.206 8.034 1.00 0.77 C ATOM 1174 C GLU A 75 0.604 -5.937 8.305 1.00 0.83 C ATOM 1175 O GLU A 75 1.230 -6.604 9.107 1.00 0.93 O ATOM 1176 CB GLU A 75 -1.024 -6.968 6.715 1.00 0.82 C ATOM 1177 CG GLU A 75 -0.808 -8.464 6.961 1.00 1.36 C ATOM 1178 CD GLU A 75 -1.981 -9.023 7.768 1.00 2.02 C ATOM 1179 OE1 GLU A 75 -2.984 -9.360 7.161 1.00 2.56 O ATOM 1180 OE2 GLU A 75 -1.855 -9.107 8.979 1.00 3.34 O ATOM 0 H GLU A 75 -2.081 -4.738 7.053 1.00 0.72 H new ATOM 0 HA GLU A 75 -1.295 -6.802 8.845 1.00 0.77 H new ATOM 0 HB2 GLU A 75 -2.014 -6.798 6.293 1.00 0.82 H new ATOM 0 HB3 GLU A 75 -0.300 -6.600 5.988 1.00 0.82 H new ATOM 0 HG2 GLU A 75 -0.723 -8.991 6.011 1.00 1.36 H new ATOM 0 HG3 GLU A 75 0.126 -8.624 7.499 1.00 1.36 H new ATOM 1187 N PHE A 76 1.161 -4.947 7.651 1.00 0.84 N ATOM 1188 CA PHE A 76 2.599 -4.608 7.875 1.00 1.01 C ATOM 1189 C PHE A 76 2.786 -4.173 9.319 1.00 1.03 C ATOM 1190 O PHE A 76 3.701 -4.599 10.000 1.00 1.13 O ATOM 1191 CB PHE A 76 3.015 -3.456 6.954 1.00 1.30 C ATOM 1192 CG PHE A 76 2.641 -3.772 5.526 1.00 1.03 C ATOM 1193 CD1 PHE A 76 3.037 -4.982 4.945 1.00 1.70 C ATOM 1194 CD2 PHE A 76 1.898 -2.849 4.781 1.00 2.23 C ATOM 1195 CE1 PHE A 76 2.690 -5.269 3.620 1.00 2.07 C ATOM 1196 CE2 PHE A 76 1.552 -3.134 3.456 1.00 2.26 C ATOM 1197 CZ PHE A 76 1.948 -4.344 2.874 1.00 1.61 C ATOM 0 H PHE A 76 0.680 -4.359 6.971 1.00 0.84 H new ATOM 0 HA PHE A 76 3.212 -5.483 7.660 1.00 1.01 H new ATOM 0 HB2 PHE A 76 2.528 -2.534 7.270 1.00 1.30 H new ATOM 0 HB3 PHE A 76 4.090 -3.291 7.028 1.00 1.30 H new ATOM 0 HD1 PHE A 76 3.611 -5.694 5.519 1.00 1.70 H new ATOM 0 HD2 PHE A 76 1.591 -1.916 5.230 1.00 2.23 H new ATOM 0 HE1 PHE A 76 2.994 -6.204 3.172 1.00 2.07 H new ATOM 0 HE2 PHE A 76 0.979 -2.421 2.882 1.00 2.26 H new ATOM 0 HZ PHE A 76 1.682 -4.564 1.851 1.00 1.61 H new ATOM 1207 N LEU A 77 1.932 -3.309 9.776 1.00 1.07 N ATOM 1208 CA LEU A 77 2.042 -2.798 11.168 1.00 1.27 C ATOM 1209 C LEU A 77 1.183 -3.643 12.119 1.00 1.29 C ATOM 1210 O LEU A 77 0.824 -3.200 13.194 1.00 1.65 O ATOM 1211 CB LEU A 77 1.584 -1.336 11.190 1.00 1.48 C ATOM 1212 CG LEU A 77 2.292 -0.559 10.065 1.00 1.46 C ATOM 1213 CD1 LEU A 77 1.310 0.401 9.405 1.00 2.35 C ATOM 1214 CD2 LEU A 77 3.472 0.219 10.643 1.00 2.49 C ATOM 0 H LEU A 77 1.152 -2.929 9.240 1.00 1.07 H new ATOM 0 HA LEU A 77 3.077 -2.865 11.503 1.00 1.27 H new ATOM 0 HB2 LEU A 77 0.503 -1.280 11.060 1.00 1.48 H new ATOM 0 HB3 LEU A 77 1.813 -0.887 12.156 1.00 1.48 H new ATOM 0 HG LEU A 77 2.659 -1.262 9.317 1.00 1.46 H new ATOM 0 HD11 LEU A 77 1.815 0.949 8.610 1.00 2.35 H new ATOM 0 HD12 LEU A 77 0.477 -0.163 8.985 1.00 2.35 H new ATOM 0 HD13 LEU A 77 0.934 1.105 10.148 1.00 2.35 H new ATOM 0 HD21 LEU A 77 3.972 0.768 9.845 1.00 2.49 H new ATOM 0 HD22 LEU A 77 3.112 0.920 11.396 1.00 2.49 H new ATOM 0 HD23 LEU A 77 4.176 -0.475 11.102 1.00 2.49 H new ATOM 1226 N ALA A 78 0.855 -4.855 11.738 1.00 1.10 N ATOM 1227 CA ALA A 78 0.025 -5.726 12.622 1.00 1.25 C ATOM 1228 C ALA A 78 0.908 -6.340 13.715 1.00 1.46 C ATOM 1229 O ALA A 78 0.429 -6.705 14.774 1.00 1.97 O ATOM 1230 CB ALA A 78 -0.606 -6.843 11.790 1.00 1.37 C ATOM 0 H ALA A 78 1.128 -5.277 10.850 1.00 1.10 H new ATOM 0 HA ALA A 78 -0.760 -5.128 13.084 1.00 1.25 H new ATOM 0 HB1 ALA A 78 -1.212 -7.479 12.435 1.00 1.37 H new ATOM 0 HB2 ALA A 78 -1.236 -6.407 11.014 1.00 1.37 H new ATOM 0 HB3 ALA A 78 0.180 -7.440 11.327 1.00 1.37 H new ATOM 1236 N THR A 79 2.189 -6.458 13.468 1.00 1.49 N ATOM 1237 CA THR A 79 3.102 -7.049 14.490 1.00 1.98 C ATOM 1238 C THR A 79 3.435 -5.997 15.552 1.00 3.20 C ATOM 1239 O THR A 79 3.725 -6.324 16.688 1.00 4.20 O ATOM 1240 CB THR A 79 4.396 -7.518 13.815 1.00 2.82 C ATOM 1241 OG1 THR A 79 5.320 -7.940 14.808 1.00 4.29 O ATOM 1242 CG2 THR A 79 5.004 -6.370 13.007 1.00 4.40 C ATOM 0 H THR A 79 2.641 -6.169 12.600 1.00 1.49 H new ATOM 0 HA THR A 79 2.610 -7.899 14.962 1.00 1.98 H new ATOM 0 HB THR A 79 4.173 -8.349 13.146 1.00 2.82 H new ATOM 0 HG1 THR A 79 6.147 -8.242 14.378 1.00 4.29 H new ATOM 0 HG21 THR A 79 5.923 -6.708 12.529 1.00 4.40 H new ATOM 0 HG22 THR A 79 4.296 -6.047 12.244 1.00 4.40 H new ATOM 0 HG23 THR A 79 5.226 -5.535 13.672 1.00 4.40 H new ATOM 1250 N GLY A 80 3.390 -4.737 15.193 1.00 3.93 N ATOM 1251 CA GLY A 80 3.698 -3.661 16.180 1.00 5.71 C ATOM 1252 C GLY A 80 2.532 -3.518 17.161 1.00 7.10 C ATOM 1253 O GLY A 80 2.688 -3.702 18.354 1.00 8.15 O ATOM 0 H GLY A 80 3.153 -4.409 14.257 1.00 3.93 H new ATOM 0 HA2 GLY A 80 4.614 -3.900 16.720 1.00 5.71 H new ATOM 0 HA3 GLY A 80 3.870 -2.717 15.663 1.00 5.71 H new ATOM 1257 N LYS A 81 1.366 -3.192 16.664 1.00 7.56 N ATOM 1258 CA LYS A 81 0.181 -3.034 17.559 1.00 9.30 C ATOM 1259 C LYS A 81 -0.750 -4.237 17.389 1.00 9.76 C ATOM 1260 O LYS A 81 -0.403 -5.215 16.754 1.00 9.14 O ATOM 1261 CB LYS A 81 -0.570 -1.753 17.192 1.00 10.02 C ATOM 1262 CG LYS A 81 0.369 -0.552 17.330 1.00 10.38 C ATOM 1263 CD LYS A 81 -0.424 0.742 17.135 1.00 11.78 C ATOM 1264 CE LYS A 81 -0.876 1.274 18.496 1.00 12.72 C ATOM 1265 NZ LYS A 81 -1.918 2.322 18.298 1.00 14.20 N ATOM 0 H LYS A 81 1.184 -3.028 15.674 1.00 7.56 H new ATOM 0 HA LYS A 81 0.514 -2.975 18.595 1.00 9.30 H new ATOM 0 HB2 LYS A 81 -0.945 -1.819 16.171 1.00 10.02 H new ATOM 0 HB3 LYS A 81 -1.436 -1.628 17.842 1.00 10.02 H new ATOM 0 HG2 LYS A 81 0.841 -0.557 18.313 1.00 10.38 H new ATOM 0 HG3 LYS A 81 1.169 -0.616 16.592 1.00 10.38 H new ATOM 0 HD2 LYS A 81 0.192 1.485 16.628 1.00 11.78 H new ATOM 0 HD3 LYS A 81 -1.290 0.558 16.499 1.00 11.78 H new ATOM 0 HE2 LYS A 81 -1.274 0.460 19.103 1.00 12.72 H new ATOM 0 HE3 LYS A 81 -0.026 1.689 19.037 1.00 12.72 H new ATOM 0 HZ1 LYS A 81 -2.226 2.684 19.223 1.00 14.20 H new ATOM 0 HZ2 LYS A 81 -1.523 3.102 17.735 1.00 14.20 H new ATOM 0 HZ3 LYS A 81 -2.733 1.912 17.798 1.00 14.20 H new ATOM 1279 N LEU A 82 -1.930 -4.169 17.951 1.00 11.19 N ATOM 1280 CA LEU A 82 -2.892 -5.304 17.827 1.00 12.00 C ATOM 1281 C LEU A 82 -4.126 -4.845 17.050 1.00 13.43 C ATOM 1282 O LEU A 82 -4.291 -3.673 16.767 1.00 14.10 O ATOM 1283 CB LEU A 82 -3.312 -5.773 19.223 1.00 12.81 C ATOM 1284 CG LEU A 82 -3.829 -4.582 20.031 1.00 13.85 C ATOM 1285 CD1 LEU A 82 -4.953 -5.043 20.961 1.00 15.12 C ATOM 1286 CD2 LEU A 82 -2.688 -3.997 20.865 1.00 13.89 C ATOM 0 H LEU A 82 -2.269 -3.373 18.492 1.00 11.19 H new ATOM 0 HA LEU A 82 -2.415 -6.128 17.296 1.00 12.00 H new ATOM 0 HB2 LEU A 82 -4.087 -6.535 19.144 1.00 12.81 H new ATOM 0 HB3 LEU A 82 -2.465 -6.232 19.734 1.00 12.81 H new ATOM 0 HG LEU A 82 -4.210 -3.821 19.350 1.00 13.85 H new ATOM 0 HD11 LEU A 82 -5.321 -4.193 21.536 1.00 15.12 H new ATOM 0 HD12 LEU A 82 -5.767 -5.460 20.369 1.00 15.12 H new ATOM 0 HD13 LEU A 82 -4.573 -5.805 21.642 1.00 15.12 H new ATOM 0 HD21 LEU A 82 -3.056 -3.148 21.441 1.00 13.89 H new ATOM 0 HD22 LEU A 82 -2.307 -4.759 21.545 1.00 13.89 H new ATOM 0 HD23 LEU A 82 -1.887 -3.667 20.204 1.00 13.89 H new ATOM 1298 N ARG A 83 -4.994 -5.763 16.702 1.00 14.18 N ATOM 1299 CA ARG A 83 -6.222 -5.391 15.941 1.00 15.85 C ATOM 1300 C ARG A 83 -7.412 -5.304 16.900 1.00 17.40 C ATOM 1301 O ARG A 83 -8.122 -6.269 17.108 1.00 17.93 O ATOM 1302 CB ARG A 83 -6.504 -6.454 14.878 1.00 16.05 C ATOM 1303 CG ARG A 83 -5.802 -6.072 13.574 1.00 15.89 C ATOM 1304 CD ARG A 83 -6.052 -7.155 12.522 1.00 16.29 C ATOM 1305 NE ARG A 83 -5.564 -8.472 13.038 1.00 15.86 N ATOM 1306 CZ ARG A 83 -5.908 -9.608 12.461 1.00 16.44 C ATOM 1307 NH1 ARG A 83 -6.695 -9.634 11.410 1.00 17.41 N ATOM 1308 NH2 ARG A 83 -5.456 -10.732 12.946 1.00 16.35 N ATOM 0 H ARG A 83 -4.903 -6.757 16.914 1.00 14.18 H new ATOM 0 HA ARG A 83 -6.071 -4.425 15.460 1.00 15.85 H new ATOM 0 HB2 ARG A 83 -6.153 -7.428 15.220 1.00 16.05 H new ATOM 0 HB3 ARG A 83 -7.578 -6.542 14.713 1.00 16.05 H new ATOM 0 HG2 ARG A 83 -6.173 -5.111 13.217 1.00 15.89 H new ATOM 0 HG3 ARG A 83 -4.732 -5.957 13.745 1.00 15.89 H new ATOM 0 HD2 ARG A 83 -7.116 -7.214 12.291 1.00 16.29 H new ATOM 0 HD3 ARG A 83 -5.538 -6.902 11.595 1.00 16.29 H new ATOM 0 HE ARG A 83 -4.952 -8.492 13.854 1.00 15.86 H new ATOM 0 HH11 ARG A 83 -7.055 -8.763 11.021 1.00 17.41 H new ATOM 0 HH12 ARG A 83 -6.946 -10.526 10.983 1.00 17.41 H new ATOM 0 HH21 ARG A 83 -4.844 -10.726 13.762 1.00 16.35 H new ATOM 0 HH22 ARG A 83 -5.715 -11.617 12.509 1.00 16.35 H new ATOM 1322 N LYS A 84 -7.631 -4.153 17.484 1.00 18.33 N ATOM 1323 CA LYS A 84 -8.773 -3.994 18.431 1.00 20.01 C ATOM 1324 C LYS A 84 -9.847 -3.109 17.794 1.00 21.52 C ATOM 1325 O LYS A 84 -9.858 -1.906 17.972 1.00 22.25 O ATOM 1326 CB LYS A 84 -8.279 -3.343 19.725 1.00 20.37 C ATOM 1327 CG LYS A 84 -9.080 -3.889 20.909 1.00 21.33 C ATOM 1328 CD LYS A 84 -9.081 -2.862 22.042 1.00 22.20 C ATOM 1329 CE LYS A 84 -9.347 -3.569 23.373 1.00 22.87 C ATOM 1330 NZ LYS A 84 -8.063 -4.086 23.925 1.00 22.45 N ATOM 0 H LYS A 84 -7.066 -3.315 17.344 1.00 18.33 H new ATOM 0 HA LYS A 84 -9.195 -4.974 18.655 1.00 20.01 H new ATOM 0 HB2 LYS A 84 -7.218 -3.547 19.865 1.00 20.37 H new ATOM 0 HB3 LYS A 84 -8.390 -2.260 19.665 1.00 20.37 H new ATOM 0 HG2 LYS A 84 -10.103 -4.107 20.600 1.00 21.33 H new ATOM 0 HG3 LYS A 84 -8.645 -4.827 21.254 1.00 21.33 H new ATOM 0 HD2 LYS A 84 -8.122 -2.344 22.078 1.00 22.20 H new ATOM 0 HD3 LYS A 84 -9.845 -2.106 21.861 1.00 22.20 H new ATOM 0 HE2 LYS A 84 -9.807 -2.877 24.079 1.00 22.87 H new ATOM 0 HE3 LYS A 84 -10.049 -4.390 23.227 1.00 22.87 H new ATOM 0 HZ1 LYS A 84 -8.243 -4.567 24.830 1.00 22.45 H new ATOM 0 HZ2 LYS A 84 -7.642 -4.759 23.253 1.00 22.45 H new ATOM 0 HZ3 LYS A 84 -7.407 -3.294 24.078 1.00 22.45 H new ATOM 1344 N LEU A 85 -10.749 -3.701 17.053 1.00 22.16 N ATOM 1345 CA LEU A 85 -11.829 -2.905 16.398 1.00 23.79 C ATOM 1346 C LEU A 85 -13.088 -3.764 16.270 1.00 24.82 C ATOM 1347 O LEU A 85 -13.145 -4.873 16.767 1.00 24.63 O ATOM 1348 CB LEU A 85 -11.367 -2.465 15.007 1.00 23.76 C ATOM 1349 CG LEU A 85 -10.906 -3.687 14.210 1.00 23.01 C ATOM 1350 CD1 LEU A 85 -11.119 -3.433 12.717 1.00 23.41 C ATOM 1351 CD2 LEU A 85 -9.420 -3.937 14.476 1.00 22.23 C ATOM 0 H LEU A 85 -10.783 -4.704 16.873 1.00 22.16 H new ATOM 0 HA LEU A 85 -12.049 -2.025 17.002 1.00 23.79 H new ATOM 0 HB2 LEU A 85 -12.181 -1.963 14.484 1.00 23.76 H new ATOM 0 HB3 LEU A 85 -10.552 -1.746 15.094 1.00 23.76 H new ATOM 0 HG LEU A 85 -11.483 -4.559 14.516 1.00 23.01 H new ATOM 0 HD11 LEU A 85 -10.791 -4.304 12.149 1.00 23.41 H new ATOM 0 HD12 LEU A 85 -12.177 -3.253 12.526 1.00 23.41 H new ATOM 0 HD13 LEU A 85 -10.542 -2.561 12.410 1.00 23.41 H new ATOM 0 HD21 LEU A 85 -9.090 -4.807 13.909 1.00 22.23 H new ATOM 0 HD22 LEU A 85 -8.844 -3.064 14.169 1.00 22.23 H new ATOM 0 HD23 LEU A 85 -9.266 -4.118 15.540 1.00 22.23 H new ATOM 1363 N GLU A 86 -14.097 -3.258 15.607 1.00 26.07 N ATOM 1364 CA GLU A 86 -15.359 -4.038 15.442 1.00 27.26 C ATOM 1365 C GLU A 86 -16.005 -3.690 14.098 1.00 28.32 C ATOM 1366 O GLU A 86 -16.517 -2.604 13.909 1.00 29.20 O ATOM 1367 CB GLU A 86 -16.326 -3.694 16.581 1.00 28.22 C ATOM 1368 CG GLU A 86 -16.566 -2.182 16.620 1.00 28.95 C ATOM 1369 CD GLU A 86 -16.815 -1.741 18.063 1.00 29.58 C ATOM 1370 OE1 GLU A 86 -17.590 -2.399 18.738 1.00 30.17 O ATOM 1371 OE2 GLU A 86 -16.226 -0.753 18.469 1.00 29.60 O ATOM 0 H GLU A 86 -14.100 -2.335 15.172 1.00 26.07 H new ATOM 0 HA GLU A 86 -15.132 -5.104 15.469 1.00 27.26 H new ATOM 0 HB2 GLU A 86 -17.271 -4.218 16.438 1.00 28.22 H new ATOM 0 HB3 GLU A 86 -15.915 -4.031 17.533 1.00 28.22 H new ATOM 0 HG2 GLU A 86 -15.703 -1.656 16.212 1.00 28.95 H new ATOM 0 HG3 GLU A 86 -17.422 -1.923 15.997 1.00 28.95 H new ATOM 1378 N LYS A 87 -15.980 -4.608 13.165 1.00 28.42 N ATOM 1379 CA LYS A 87 -16.589 -4.341 11.828 1.00 29.61 C ATOM 1380 C LYS A 87 -18.099 -4.147 11.984 1.00 31.18 C ATOM 1381 O LYS A 87 -18.780 -4.112 10.972 1.00 32.07 O ATOM 1382 CB LYS A 87 -16.315 -5.526 10.894 1.00 29.41 C ATOM 1383 CG LYS A 87 -16.845 -6.818 11.526 1.00 29.69 C ATOM 1384 CD LYS A 87 -15.871 -7.966 11.244 1.00 28.96 C ATOM 1385 CE LYS A 87 -15.923 -8.972 12.396 1.00 28.95 C ATOM 1386 NZ LYS A 87 -14.704 -9.829 12.361 1.00 28.35 N ATOM 1387 OXT LYS A 87 -18.549 -4.037 13.113 1.00 31.59 O ATOM 0 H LYS A 87 -15.563 -5.533 13.273 1.00 28.42 H new ATOM 0 HA LYS A 87 -16.151 -3.438 11.403 1.00 29.61 H new ATOM 0 HB2 LYS A 87 -16.794 -5.359 9.929 1.00 29.41 H new ATOM 0 HB3 LYS A 87 -15.245 -5.614 10.707 1.00 29.41 H new ATOM 0 HG2 LYS A 87 -16.965 -6.686 12.601 1.00 29.69 H new ATOM 0 HG3 LYS A 87 -17.829 -7.055 11.122 1.00 29.69 H new ATOM 0 HD2 LYS A 87 -16.132 -8.457 10.306 1.00 28.96 H new ATOM 0 HD3 LYS A 87 -14.858 -7.579 11.130 1.00 28.96 H new ATOM 0 HE2 LYS A 87 -15.984 -8.447 13.349 1.00 28.95 H new ATOM 0 HE3 LYS A 87 -16.817 -9.589 12.314 1.00 28.95 H new ATOM 0 HZ1 LYS A 87 -14.738 -10.513 13.143 1.00 28.35 H new ATOM 0 HZ2 LYS A 87 -14.665 -10.340 11.456 1.00 28.35 H new ATOM 0 HZ3 LYS A 87 -13.858 -9.233 12.459 1.00 28.35 H new TER 1401 LYS A 87