USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 696 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 71 THR OG1 : rot 95:sc= 1.17 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 72 CYS SG : rot 61:sc= -0.43 USER MOD Set 2.2: A 75 CYS SG : rot -47:sc= -0.834 USER MOD Set 2.3: A 88 HIS : no HD1:sc= -0.109 K(o=-7.2,f=-10!) USER MOD Set 2.4: A 89 GLN : amide:sc= -1.18 K(o=-7.2,f=-5.3) USER MOD Set 2.5: A 93 HIS : no HD1:sc= -4.62! C(o=-7.2!,f=-5.3!) USER MOD Set 3.1: A 45 CYS SG : rot -5:sc= -2.3 USER MOD Set 3.2: A 48 CYS SG : rot -49:sc= -0.848 USER MOD Set 3.3: A 61 HIS : no HD1:sc= -1.3! C(o=-5.6!,f=-14!) USER MOD Set 3.4: A 65 CYS SG : rot 50:sc= -1.18 USER MOD Set 4.1: A 47 TYR OH : rot 165:sc= 0 USER MOD Set 4.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 19 CYS SG : rot 3:sc= -1.42 USER MOD Set 5.2: A 22 CYS SG : rot -41:sc= 0.291 USER MOD Set 5.3: A 35 HIS : no HD1:sc= -0.812 K(o=-3.1,f=-4.3) USER MOD Set 5.4: A 39 CYS SG : rot -20:sc= -1.17 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -4.32! C(o=-4.3!,f=-4.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -44:sc= 0.0142 USER MOD Single : A 28 SER OG : rot 16:sc= 1 USER MOD Single : A 32 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.8!) USER MOD Single : A 34 SER OG : rot -75:sc= 0.662 USER MOD Single : A 41 ASN : amide:sc= -1.12! K(o=-1.1!,f=-0.34) USER MOD Single : A 49 SER OG : rot -56:sc= 0.02 USER MOD Single : A 54 SER OG : rot 91:sc= 0.0117 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.577 (180deg=0.506) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 144:sc= -0.387 (180deg=-1.58) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 138:sc= -1.15 (180deg=-3.2!) USER MOD Single : A 76 MET CE :methyl -179:sc= -0.958 (180deg=-0.959) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.189 USER MOD Single : A 82 SER OG : rot 180:sc= -0.116 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc=-0.00502 K(o=-0.005,f=-0.87) USER MOD Single : A 95 GLN : amide:sc= -0.0716 K(o=-0.072,f=-1.7!) USER MOD Single : A 96 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -1.739 -47.489 -7.297 1.00 0.00 N ATOM 9 CA SER A 2 -1.385 -46.101 -7.569 1.00 0.00 C ATOM 10 C SER A 2 -2.620 -45.206 -7.523 1.00 0.00 C ATOM 11 O SER A 2 -3.632 -45.492 -8.163 1.00 0.00 O ATOM 12 CB SER A 2 -0.707 -45.984 -8.936 1.00 0.00 C ATOM 13 OG SER A 2 0.072 -44.803 -9.019 1.00 0.00 O ATOM 0 HA SER A 2 -0.690 -45.771 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.073 -46.854 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.463 -45.981 -9.721 1.00 0.00 H new ATOM 0 HG SER A 2 0.496 -44.752 -9.901 1.00 0.00 H new ATOM 19 N SER A 3 -2.528 -44.121 -6.761 1.00 0.00 N ATOM 20 CA SER A 3 -3.638 -43.185 -6.627 1.00 0.00 C ATOM 21 C SER A 3 -3.280 -41.828 -7.225 1.00 0.00 C ATOM 22 O SER A 3 -2.111 -41.444 -7.267 1.00 0.00 O ATOM 23 CB SER A 3 -4.020 -43.021 -5.155 1.00 0.00 C ATOM 24 OG SER A 3 -2.884 -42.715 -4.364 1.00 0.00 O ATOM 0 H SER A 3 -1.696 -43.868 -6.227 1.00 0.00 H new ATOM 0 HA SER A 3 -4.490 -43.590 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.761 -42.228 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.483 -43.938 -4.792 1.00 0.00 H new ATOM 0 HG SER A 3 -3.155 -42.613 -3.428 1.00 0.00 H new ATOM 30 N GLY A 4 -4.295 -41.105 -7.688 1.00 0.00 N ATOM 31 CA GLY A 4 -4.068 -39.799 -8.278 1.00 0.00 C ATOM 32 C GLY A 4 -4.820 -38.698 -7.556 1.00 0.00 C ATOM 33 O GLY A 4 -5.082 -38.798 -6.358 1.00 0.00 O ATOM 0 H GLY A 4 -5.271 -41.401 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.001 -39.577 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.374 -39.818 -9.324 1.00 0.00 H new ATOM 37 N SER A 5 -5.166 -37.643 -8.287 1.00 0.00 N ATOM 38 CA SER A 5 -5.888 -36.516 -7.708 1.00 0.00 C ATOM 39 C SER A 5 -7.276 -36.384 -8.326 1.00 0.00 C ATOM 40 O SER A 5 -7.517 -36.842 -9.443 1.00 0.00 O ATOM 41 CB SER A 5 -5.101 -35.220 -7.912 1.00 0.00 C ATOM 42 OG SER A 5 -4.017 -35.132 -7.004 1.00 0.00 O ATOM 0 H SER A 5 -4.958 -37.545 -9.281 1.00 0.00 H new ATOM 0 HA SER A 5 -6.002 -36.700 -6.640 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.727 -35.176 -8.935 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.763 -34.364 -7.777 1.00 0.00 H new ATOM 0 HG SER A 5 -3.530 -34.296 -7.157 1.00 0.00 H new ATOM 48 N SER A 6 -8.187 -35.754 -7.591 1.00 0.00 N ATOM 49 CA SER A 6 -9.553 -35.564 -8.064 1.00 0.00 C ATOM 50 C SER A 6 -9.566 -35.122 -9.524 1.00 0.00 C ATOM 51 O SER A 6 -8.568 -34.623 -10.042 1.00 0.00 O ATOM 52 CB SER A 6 -10.276 -34.529 -7.199 1.00 0.00 C ATOM 53 OG SER A 6 -11.677 -34.737 -7.219 1.00 0.00 O ATOM 0 H SER A 6 -8.004 -35.367 -6.665 1.00 0.00 H new ATOM 0 HA SER A 6 -10.074 -36.518 -7.987 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.911 -34.589 -6.174 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.049 -33.526 -7.560 1.00 0.00 H new ATOM 0 HG SER A 6 -12.116 -34.064 -6.658 1.00 0.00 H new ATOM 59 N GLY A 7 -10.706 -35.309 -10.183 1.00 0.00 N ATOM 60 CA GLY A 7 -10.829 -34.924 -11.577 1.00 0.00 C ATOM 61 C GLY A 7 -10.823 -33.421 -11.766 1.00 0.00 C ATOM 62 O GLY A 7 -9.777 -32.780 -11.666 1.00 0.00 O ATOM 0 H GLY A 7 -11.546 -35.720 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.008 -35.362 -12.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.753 -35.335 -11.984 1.00 0.00 H new ATOM 66 N ALA A 8 -11.994 -32.856 -12.043 1.00 0.00 N ATOM 67 CA ALA A 8 -12.120 -31.418 -12.246 1.00 0.00 C ATOM 68 C ALA A 8 -13.574 -30.974 -12.137 1.00 0.00 C ATOM 69 O ALA A 8 -14.416 -31.366 -12.945 1.00 0.00 O ATOM 70 CB ALA A 8 -11.546 -31.025 -13.599 1.00 0.00 C ATOM 0 H ALA A 8 -12.869 -33.373 -12.132 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.554 -30.914 -11.463 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.646 -29.949 -13.738 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.492 -31.300 -13.641 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.088 -31.545 -14.389 1.00 0.00 H new ATOM 76 N SER A 9 -13.863 -30.153 -11.132 1.00 0.00 N ATOM 77 CA SER A 9 -15.218 -29.658 -10.914 1.00 0.00 C ATOM 78 C SER A 9 -15.319 -28.178 -11.270 1.00 0.00 C ATOM 79 O SER A 9 -14.719 -27.316 -10.627 1.00 0.00 O ATOM 80 CB SER A 9 -15.635 -29.875 -9.459 1.00 0.00 C ATOM 81 OG SER A 9 -15.640 -31.253 -9.129 1.00 0.00 O ATOM 0 H SER A 9 -13.177 -29.817 -10.456 1.00 0.00 H new ATOM 0 HA SER A 9 -15.892 -30.217 -11.564 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.951 -29.342 -8.798 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.628 -29.455 -9.296 1.00 0.00 H new ATOM 0 HG SER A 9 -15.908 -31.364 -8.193 1.00 0.00 H new ATOM 87 N PRO A 10 -16.097 -27.874 -12.319 1.00 0.00 N ATOM 88 CA PRO A 10 -16.297 -26.499 -12.785 1.00 0.00 C ATOM 89 C PRO A 10 -17.124 -25.670 -11.807 1.00 0.00 C ATOM 90 O PRO A 10 -17.446 -26.125 -10.709 1.00 0.00 O ATOM 91 CB PRO A 10 -17.050 -26.677 -14.105 1.00 0.00 C ATOM 92 CG PRO A 10 -17.744 -27.988 -13.971 1.00 0.00 C ATOM 93 CD PRO A 10 -16.842 -28.850 -13.132 1.00 0.00 C ATOM 0 HA PRO A 10 -15.354 -25.962 -12.886 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -17.761 -25.867 -14.267 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.366 -26.676 -14.954 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -18.719 -27.867 -13.498 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -17.917 -28.439 -14.948 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -17.411 -29.540 -12.509 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.175 -29.452 -13.748 1.00 0.00 H new ATOM 101 N VAL A 11 -17.465 -24.451 -12.213 1.00 0.00 N ATOM 102 CA VAL A 11 -18.256 -23.560 -11.373 1.00 0.00 C ATOM 103 C VAL A 11 -19.415 -22.952 -12.155 1.00 0.00 C ATOM 104 O VAL A 11 -19.216 -22.349 -13.209 1.00 0.00 O ATOM 105 CB VAL A 11 -17.393 -22.425 -10.791 1.00 0.00 C ATOM 106 CG1 VAL A 11 -16.358 -22.982 -9.825 1.00 0.00 C ATOM 107 CG2 VAL A 11 -16.724 -21.638 -11.908 1.00 0.00 C ATOM 0 H VAL A 11 -17.206 -24.058 -13.118 1.00 0.00 H new ATOM 0 HA VAL A 11 -18.650 -24.163 -10.555 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.042 -21.746 -10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.758 -22.165 -9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -16.863 -23.496 -9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.711 -23.684 -10.350 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.118 -20.840 -11.479 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.087 -22.303 -12.491 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.487 -21.206 -12.556 1.00 0.00 H new ATOM 117 N GLU A 12 -20.626 -23.116 -11.632 1.00 0.00 N ATOM 118 CA GLU A 12 -21.817 -22.583 -12.282 1.00 0.00 C ATOM 119 C GLU A 12 -22.311 -21.327 -11.570 1.00 0.00 C ATOM 120 O GLU A 12 -23.093 -21.405 -10.623 1.00 0.00 O ATOM 121 CB GLU A 12 -22.926 -23.637 -12.308 1.00 0.00 C ATOM 122 CG GLU A 12 -22.738 -24.692 -13.386 1.00 0.00 C ATOM 123 CD GLU A 12 -23.976 -25.545 -13.589 1.00 0.00 C ATOM 124 OE1 GLU A 12 -24.456 -26.137 -12.600 1.00 0.00 O ATOM 125 OE2 GLU A 12 -24.463 -25.620 -14.736 1.00 0.00 O ATOM 0 H GLU A 12 -20.808 -23.614 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 12 -21.552 -22.319 -13.306 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.972 -24.127 -11.336 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -23.884 -23.140 -12.461 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -22.479 -24.204 -14.326 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.899 -25.334 -13.119 1.00 0.00 H new ATOM 199 N TYR A 17 -19.575 -8.769 -11.906 1.00 0.00 N ATOM 200 CA TYR A 17 -18.511 -7.794 -12.112 1.00 0.00 C ATOM 201 C TYR A 17 -17.592 -7.726 -10.896 1.00 0.00 C ATOM 202 O TYR A 17 -17.944 -7.142 -9.871 1.00 0.00 O ATOM 203 CB TYR A 17 -19.104 -6.413 -12.395 1.00 0.00 C ATOM 204 CG TYR A 17 -20.168 -6.419 -13.468 1.00 0.00 C ATOM 205 CD1 TYR A 17 -20.141 -7.353 -14.497 1.00 0.00 C ATOM 206 CD2 TYR A 17 -21.203 -5.491 -13.453 1.00 0.00 C ATOM 207 CE1 TYR A 17 -21.111 -7.361 -15.480 1.00 0.00 C ATOM 208 CE2 TYR A 17 -22.179 -5.494 -14.431 1.00 0.00 C ATOM 209 CZ TYR A 17 -22.128 -6.430 -15.443 1.00 0.00 C ATOM 210 OH TYR A 17 -23.097 -6.436 -16.419 1.00 0.00 O ATOM 0 HA TYR A 17 -17.922 -8.112 -12.972 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -19.531 -6.015 -11.474 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -18.303 -5.737 -12.694 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -19.348 -8.085 -14.528 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -21.245 -4.755 -12.664 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -21.073 -8.093 -16.274 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -22.978 -4.767 -14.403 1.00 0.00 H new ATOM 0 HH TYR A 17 -23.740 -5.717 -16.246 1.00 0.00 H new ATOM 220 N GLN A 18 -16.413 -8.328 -11.018 1.00 0.00 N ATOM 221 CA GLN A 18 -15.444 -8.336 -9.930 1.00 0.00 C ATOM 222 C GLN A 18 -14.388 -7.254 -10.133 1.00 0.00 C ATOM 223 O GLN A 18 -14.106 -6.851 -11.261 1.00 0.00 O ATOM 224 CB GLN A 18 -14.772 -9.707 -9.827 1.00 0.00 C ATOM 225 CG GLN A 18 -15.463 -10.651 -8.857 1.00 0.00 C ATOM 226 CD GLN A 18 -15.316 -12.107 -9.255 1.00 0.00 C ATOM 227 OE1 GLN A 18 -16.290 -12.761 -9.630 1.00 0.00 O ATOM 228 NE2 GLN A 18 -14.095 -12.623 -9.175 1.00 0.00 N ATOM 0 H GLN A 18 -16.107 -8.816 -11.860 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.977 -8.129 -9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.750 -10.167 -10.815 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.736 -9.572 -9.515 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -15.049 -10.507 -7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.522 -10.398 -8.802 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.317 -12.045 -8.859 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.936 -13.598 -9.430 1.00 0.00 H new ATOM 237 N CYS A 19 -13.809 -6.786 -9.032 1.00 0.00 N ATOM 238 CA CYS A 19 -12.785 -5.750 -9.088 1.00 0.00 C ATOM 239 C CYS A 19 -11.447 -6.330 -9.537 1.00 0.00 C ATOM 240 O CYS A 19 -11.071 -7.432 -9.138 1.00 0.00 O ATOM 241 CB CYS A 19 -12.630 -5.082 -7.720 1.00 0.00 C ATOM 242 SG CYS A 19 -11.289 -3.852 -7.640 1.00 0.00 S ATOM 0 H CYS A 19 -14.032 -7.108 -8.090 1.00 0.00 H new ATOM 0 HA CYS A 19 -13.100 -5.003 -9.817 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -13.570 -4.597 -7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -12.447 -5.852 -6.970 1.00 0.00 H new ATOM 0 HG CYS A 19 -10.742 -3.730 -8.813 1.00 0.00 H new ATOM 247 N ARG A 20 -10.733 -5.580 -10.370 1.00 0.00 N ATOM 248 CA ARG A 20 -9.438 -6.020 -10.875 1.00 0.00 C ATOM 249 C ARG A 20 -8.331 -5.718 -9.869 1.00 0.00 C ATOM 250 O ARG A 20 -7.155 -5.645 -10.227 1.00 0.00 O ATOM 251 CB ARG A 20 -9.129 -5.339 -12.209 1.00 0.00 C ATOM 252 CG ARG A 20 -10.073 -5.740 -13.331 1.00 0.00 C ATOM 253 CD ARG A 20 -9.862 -7.187 -13.747 1.00 0.00 C ATOM 254 NE ARG A 20 -10.210 -7.410 -15.148 1.00 0.00 N ATOM 255 CZ ARG A 20 -9.394 -7.137 -16.161 1.00 0.00 C ATOM 256 NH1 ARG A 20 -8.189 -6.635 -15.929 1.00 0.00 N ATOM 257 NH2 ARG A 20 -9.783 -7.368 -17.408 1.00 0.00 N ATOM 0 H ARG A 20 -11.029 -4.665 -10.709 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.483 -7.098 -11.027 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.176 -4.258 -12.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.107 -5.580 -12.502 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.104 -5.600 -13.007 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.917 -5.087 -14.190 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.820 -7.463 -13.584 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.467 -7.838 -13.115 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.130 -7.796 -15.361 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.886 -6.457 -14.971 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.565 -6.426 -16.708 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.709 -7.755 -17.590 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.156 -7.158 -18.185 1.00 0.00 H new ATOM 271 N LEU A 21 -8.716 -5.541 -8.610 1.00 0.00 N ATOM 272 CA LEU A 21 -7.756 -5.246 -7.551 1.00 0.00 C ATOM 273 C LEU A 21 -7.938 -6.196 -6.371 1.00 0.00 C ATOM 274 O LEU A 21 -6.978 -6.806 -5.899 1.00 0.00 O ATOM 275 CB LEU A 21 -7.913 -3.798 -7.083 1.00 0.00 C ATOM 276 CG LEU A 21 -7.961 -2.738 -8.184 1.00 0.00 C ATOM 277 CD1 LEU A 21 -8.315 -1.378 -7.602 1.00 0.00 C ATOM 278 CD2 LEU A 21 -6.630 -2.674 -8.920 1.00 0.00 C ATOM 0 H LEU A 21 -9.685 -5.596 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.753 -5.385 -7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.828 -3.724 -6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.085 -3.562 -6.415 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.736 -3.018 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.344 -0.637 -8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.291 -1.431 -7.120 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.563 -1.090 -6.867 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.682 -1.915 -9.700 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.837 -2.418 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.417 -3.643 -9.371 1.00 0.00 H new ATOM 290 N CYS A 22 -9.174 -6.318 -5.902 1.00 0.00 N ATOM 291 CA CYS A 22 -9.483 -7.195 -4.779 1.00 0.00 C ATOM 292 C CYS A 22 -10.463 -8.288 -5.195 1.00 0.00 C ATOM 293 O CYS A 22 -10.955 -9.046 -4.361 1.00 0.00 O ATOM 294 CB CYS A 22 -10.066 -6.387 -3.618 1.00 0.00 C ATOM 295 SG CYS A 22 -11.554 -5.429 -4.053 1.00 0.00 S ATOM 0 H CYS A 22 -9.979 -5.820 -6.282 1.00 0.00 H new ATOM 0 HA CYS A 22 -8.556 -7.667 -4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -10.310 -7.067 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -9.303 -5.704 -3.245 1.00 0.00 H new ATOM 0 HG CYS A 22 -11.398 -4.894 -5.227 1.00 0.00 H new ATOM 300 N ASN A 23 -10.742 -8.362 -6.493 1.00 0.00 N ATOM 301 CA ASN A 23 -11.664 -9.361 -7.021 1.00 0.00 C ATOM 302 C ASN A 23 -12.927 -9.440 -6.169 1.00 0.00 C ATOM 303 O ASN A 23 -13.438 -10.526 -5.897 1.00 0.00 O ATOM 304 CB ASN A 23 -10.986 -10.732 -7.076 1.00 0.00 C ATOM 305 CG ASN A 23 -10.376 -11.129 -5.745 1.00 0.00 C ATOM 306 OD1 ASN A 23 -9.156 -11.140 -5.587 1.00 0.00 O ATOM 307 ND2 ASN A 23 -11.227 -11.459 -4.780 1.00 0.00 N ATOM 0 H ASN A 23 -10.343 -7.742 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 23 -11.946 -9.061 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.716 -11.484 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.208 -10.719 -7.840 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.876 -11.736 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.231 -11.436 -4.956 1.00 0.00 H new ATOM 314 N ALA A 24 -13.426 -8.281 -5.752 1.00 0.00 N ATOM 315 CA ALA A 24 -14.631 -8.219 -4.934 1.00 0.00 C ATOM 316 C ALA A 24 -15.867 -7.976 -5.794 1.00 0.00 C ATOM 317 O ALA A 24 -15.982 -6.944 -6.456 1.00 0.00 O ATOM 318 CB ALA A 24 -14.497 -7.129 -3.880 1.00 0.00 C ATOM 0 H ALA A 24 -13.015 -7.373 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 24 -14.751 -9.180 -4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.404 -7.093 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.642 -7.346 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.349 -6.166 -4.369 1.00 0.00 H new ATOM 324 N LYS A 25 -16.788 -8.933 -5.780 1.00 0.00 N ATOM 325 CA LYS A 25 -18.017 -8.824 -6.558 1.00 0.00 C ATOM 326 C LYS A 25 -18.700 -7.483 -6.312 1.00 0.00 C ATOM 327 O LYS A 25 -18.855 -7.054 -5.167 1.00 0.00 O ATOM 328 CB LYS A 25 -18.971 -9.967 -6.206 1.00 0.00 C ATOM 329 CG LYS A 25 -18.414 -11.344 -6.521 1.00 0.00 C ATOM 330 CD LYS A 25 -19.353 -12.445 -6.059 1.00 0.00 C ATOM 331 CE LYS A 25 -20.469 -12.684 -7.066 1.00 0.00 C ATOM 332 NZ LYS A 25 -20.973 -14.084 -7.013 1.00 0.00 N ATOM 0 H LYS A 25 -16.707 -9.793 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 25 -17.756 -8.890 -7.614 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.210 -9.915 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.906 -9.829 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.248 -11.433 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -17.445 -11.465 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -18.790 -13.367 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -19.783 -12.177 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.290 -11.995 -6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -20.105 -12.467 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.732 -14.207 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.196 -14.741 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.344 -14.284 -6.062 1.00 0.00 H new ATOM 346 N LEU A 26 -19.108 -6.824 -7.391 1.00 0.00 N ATOM 347 CA LEU A 26 -19.776 -5.532 -7.292 1.00 0.00 C ATOM 348 C LEU A 26 -21.290 -5.692 -7.396 1.00 0.00 C ATOM 349 O LEU A 26 -21.803 -6.809 -7.461 1.00 0.00 O ATOM 350 CB LEU A 26 -19.275 -4.590 -8.388 1.00 0.00 C ATOM 351 CG LEU A 26 -18.013 -3.790 -8.060 1.00 0.00 C ATOM 352 CD1 LEU A 26 -18.078 -3.251 -6.640 1.00 0.00 C ATOM 353 CD2 LEU A 26 -16.772 -4.650 -8.250 1.00 0.00 C ATOM 0 H LEU A 26 -18.988 -7.164 -8.345 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.540 -5.103 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.085 -5.178 -9.286 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.073 -3.888 -8.629 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.953 -2.945 -8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.172 -2.685 -6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.946 -2.600 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.162 -4.081 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.884 -4.065 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.824 -5.515 -7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.718 -4.987 -9.285 1.00 0.00 H new ATOM 365 N SER A 27 -21.999 -4.568 -7.415 1.00 0.00 N ATOM 366 CA SER A 27 -23.454 -4.583 -7.511 1.00 0.00 C ATOM 367 C SER A 27 -23.912 -4.147 -8.899 1.00 0.00 C ATOM 368 O SER A 27 -25.081 -4.293 -9.254 1.00 0.00 O ATOM 369 CB SER A 27 -24.066 -3.668 -6.448 1.00 0.00 C ATOM 370 OG SER A 27 -25.424 -3.996 -6.213 1.00 0.00 O ATOM 0 H SER A 27 -21.589 -3.635 -7.365 1.00 0.00 H new ATOM 0 HA SER A 27 -23.794 -5.604 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 27 -23.502 -3.756 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 27 -23.990 -2.630 -6.770 1.00 0.00 H new ATOM 0 HG SER A 27 -25.879 -4.139 -7.069 1.00 0.00 H new ATOM 376 N SER A 28 -22.980 -3.610 -9.681 1.00 0.00 N ATOM 377 CA SER A 28 -23.288 -3.148 -11.029 1.00 0.00 C ATOM 378 C SER A 28 -22.017 -2.732 -11.764 1.00 0.00 C ATOM 379 O SER A 28 -20.978 -2.494 -11.146 1.00 0.00 O ATOM 380 CB SER A 28 -24.268 -1.974 -10.978 1.00 0.00 C ATOM 381 OG SER A 28 -25.591 -2.424 -10.743 1.00 0.00 O ATOM 0 H SER A 28 -22.006 -3.484 -9.404 1.00 0.00 H new ATOM 0 HA SER A 28 -23.749 -3.973 -11.573 1.00 0.00 H new ATOM 0 HB2 SER A 28 -23.971 -1.282 -10.190 1.00 0.00 H new ATOM 0 HB3 SER A 28 -24.229 -1.423 -11.918 1.00 0.00 H new ATOM 0 HG SER A 28 -25.569 -3.346 -10.411 1.00 0.00 H new ATOM 387 N LEU A 29 -22.107 -2.646 -13.086 1.00 0.00 N ATOM 388 CA LEU A 29 -20.965 -2.259 -13.907 1.00 0.00 C ATOM 389 C LEU A 29 -20.351 -0.956 -13.406 1.00 0.00 C ATOM 390 O LEU A 29 -19.129 -0.799 -13.387 1.00 0.00 O ATOM 391 CB LEU A 29 -21.391 -2.107 -15.369 1.00 0.00 C ATOM 392 CG LEU A 29 -20.307 -2.368 -16.415 1.00 0.00 C ATOM 393 CD1 LEU A 29 -20.018 -3.857 -16.523 1.00 0.00 C ATOM 394 CD2 LEU A 29 -20.721 -1.804 -17.766 1.00 0.00 C ATOM 0 H LEU A 29 -22.959 -2.839 -13.613 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.213 -3.045 -13.834 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -22.221 -2.788 -15.557 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -21.770 -1.095 -15.513 1.00 0.00 H new ATOM 0 HG LEU A 29 -19.395 -1.863 -16.098 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -19.244 -4.024 -17.272 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -19.676 -4.232 -15.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -20.926 -4.384 -16.816 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -19.937 -1.999 -18.498 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -21.647 -2.279 -18.090 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -20.876 -0.729 -17.679 1.00 0.00 H new ATOM 406 N LEU A 30 -21.205 -0.023 -12.999 1.00 0.00 N ATOM 407 CA LEU A 30 -20.747 1.267 -12.495 1.00 0.00 C ATOM 408 C LEU A 30 -19.917 1.092 -11.227 1.00 0.00 C ATOM 409 O LEU A 30 -18.791 1.578 -11.140 1.00 0.00 O ATOM 410 CB LEU A 30 -21.941 2.181 -12.216 1.00 0.00 C ATOM 411 CG LEU A 30 -21.699 3.679 -12.404 1.00 0.00 C ATOM 412 CD1 LEU A 30 -20.695 4.189 -11.382 1.00 0.00 C ATOM 413 CD2 LEU A 30 -21.216 3.967 -13.818 1.00 0.00 C ATOM 0 H LEU A 30 -22.219 -0.136 -13.008 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.118 1.725 -13.258 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -22.762 1.882 -12.867 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -22.270 2.013 -11.191 1.00 0.00 H new ATOM 0 HG LEU A 30 -22.642 4.203 -12.249 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -20.535 5.257 -11.531 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -21.079 4.016 -10.377 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -19.750 3.660 -11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -21.049 5.038 -13.934 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -20.284 3.432 -14.000 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -21.969 3.638 -14.534 1.00 0.00 H new ATOM 425 N GLU A 31 -20.483 0.393 -10.248 1.00 0.00 N ATOM 426 CA GLU A 31 -19.794 0.154 -8.985 1.00 0.00 C ATOM 427 C GLU A 31 -18.388 -0.389 -9.226 1.00 0.00 C ATOM 428 O GLU A 31 -17.510 -0.263 -8.374 1.00 0.00 O ATOM 429 CB GLU A 31 -20.590 -0.828 -8.122 1.00 0.00 C ATOM 430 CG GLU A 31 -20.461 -0.570 -6.630 1.00 0.00 C ATOM 431 CD GLU A 31 -21.404 -1.425 -5.807 1.00 0.00 C ATOM 432 OE1 GLU A 31 -21.145 -2.640 -5.678 1.00 0.00 O ATOM 433 OE2 GLU A 31 -22.402 -0.879 -5.291 1.00 0.00 O ATOM 0 H GLU A 31 -21.415 -0.017 -10.305 1.00 0.00 H new ATOM 0 HA GLU A 31 -19.713 1.106 -8.460 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.642 -0.774 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -20.254 -1.842 -8.337 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -19.435 -0.765 -6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -20.661 0.482 -6.428 1.00 0.00 H new ATOM 440 N GLN A 32 -18.186 -0.992 -10.393 1.00 0.00 N ATOM 441 CA GLN A 32 -16.888 -1.555 -10.746 1.00 0.00 C ATOM 442 C GLN A 32 -15.922 -0.461 -11.188 1.00 0.00 C ATOM 443 O GLN A 32 -14.840 -0.309 -10.624 1.00 0.00 O ATOM 444 CB GLN A 32 -17.044 -2.594 -11.858 1.00 0.00 C ATOM 445 CG GLN A 32 -15.824 -3.482 -12.037 1.00 0.00 C ATOM 446 CD GLN A 32 -15.942 -4.402 -13.236 1.00 0.00 C ATOM 447 OE1 GLN A 32 -16.960 -4.411 -13.928 1.00 0.00 O ATOM 448 NE2 GLN A 32 -14.898 -5.182 -13.489 1.00 0.00 N ATOM 0 H GLN A 32 -18.904 -1.103 -11.109 1.00 0.00 H new ATOM 0 HA GLN A 32 -16.478 -2.040 -9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.910 -3.220 -11.640 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.250 -2.081 -12.797 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -14.938 -2.857 -12.149 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -15.680 -4.081 -11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.074 -5.142 -12.889 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -14.920 -5.821 -14.283 1.00 0.00 H new ATOM 457 N GLY A 33 -16.322 0.299 -12.203 1.00 0.00 N ATOM 458 CA GLY A 33 -15.479 1.370 -12.705 1.00 0.00 C ATOM 459 C GLY A 33 -15.236 2.450 -11.669 1.00 0.00 C ATOM 460 O GLY A 33 -14.312 3.252 -11.804 1.00 0.00 O ATOM 0 H GLY A 33 -17.214 0.193 -12.687 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.523 0.956 -13.025 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.945 1.813 -13.585 1.00 0.00 H new ATOM 464 N SER A 34 -16.068 2.472 -10.633 1.00 0.00 N ATOM 465 CA SER A 34 -15.942 3.465 -9.573 1.00 0.00 C ATOM 466 C SER A 34 -15.145 2.907 -8.398 1.00 0.00 C ATOM 467 O SER A 34 -14.266 3.578 -7.855 1.00 0.00 O ATOM 468 CB SER A 34 -17.326 3.913 -9.098 1.00 0.00 C ATOM 469 OG SER A 34 -18.233 2.825 -9.072 1.00 0.00 O ATOM 0 H SER A 34 -16.836 1.814 -10.505 1.00 0.00 H new ATOM 0 HA SER A 34 -15.408 4.325 -9.976 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.248 4.350 -8.102 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.706 4.692 -9.759 1.00 0.00 H new ATOM 0 HG SER A 34 -18.503 2.602 -9.987 1.00 0.00 H new ATOM 475 N HIS A 35 -15.458 1.675 -8.009 1.00 0.00 N ATOM 476 CA HIS A 35 -14.771 1.026 -6.899 1.00 0.00 C ATOM 477 C HIS A 35 -13.285 0.857 -7.203 1.00 0.00 C ATOM 478 O HIS A 35 -12.461 0.787 -6.292 1.00 0.00 O ATOM 479 CB HIS A 35 -15.402 -0.337 -6.608 1.00 0.00 C ATOM 480 CG HIS A 35 -14.604 -1.175 -5.657 1.00 0.00 C ATOM 481 ND1 HIS A 35 -14.913 -1.294 -4.318 1.00 0.00 N ATOM 482 CD2 HIS A 35 -13.506 -1.939 -5.857 1.00 0.00 C ATOM 483 CE1 HIS A 35 -14.038 -2.094 -3.736 1.00 0.00 C ATOM 484 NE2 HIS A 35 -13.173 -2.500 -4.649 1.00 0.00 N ATOM 0 H HIS A 35 -16.183 1.106 -8.446 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.874 1.661 -6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.400 -0.186 -6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.522 -0.880 -7.545 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.987 -2.081 -6.794 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.031 -2.370 -2.692 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -12.386 -3.128 -4.483 1.00 0.00 H new ATOM 492 N GLU A 36 -12.953 0.793 -8.488 1.00 0.00 N ATOM 493 CA GLU A 36 -11.567 0.631 -8.911 1.00 0.00 C ATOM 494 C GLU A 36 -10.818 1.959 -8.840 1.00 0.00 C ATOM 495 O GLU A 36 -9.590 1.996 -8.918 1.00 0.00 O ATOM 496 CB GLU A 36 -11.506 0.074 -10.335 1.00 0.00 C ATOM 497 CG GLU A 36 -11.560 -1.443 -10.398 1.00 0.00 C ATOM 498 CD GLU A 36 -10.839 -2.003 -11.609 1.00 0.00 C ATOM 499 OE1 GLU A 36 -9.643 -1.691 -11.783 1.00 0.00 O ATOM 500 OE2 GLU A 36 -11.472 -2.751 -12.383 1.00 0.00 O ATOM 0 H GLU A 36 -13.624 0.851 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.087 -0.074 -8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.336 0.483 -10.912 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.587 0.417 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.116 -1.856 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.601 -1.765 -10.419 1.00 0.00 H new ATOM 507 N ARG A 37 -11.567 3.046 -8.691 1.00 0.00 N ATOM 508 CA ARG A 37 -10.975 4.376 -8.612 1.00 0.00 C ATOM 509 C ARG A 37 -10.457 4.658 -7.204 1.00 0.00 C ATOM 510 O ARG A 37 -9.381 5.230 -7.029 1.00 0.00 O ATOM 511 CB ARG A 37 -12.000 5.439 -9.012 1.00 0.00 C ATOM 512 CG ARG A 37 -12.151 5.604 -10.515 1.00 0.00 C ATOM 513 CD ARG A 37 -12.983 6.829 -10.860 1.00 0.00 C ATOM 514 NE ARG A 37 -12.218 8.066 -10.726 1.00 0.00 N ATOM 515 CZ ARG A 37 -12.774 9.258 -10.539 1.00 0.00 C ATOM 516 NH1 ARG A 37 -14.092 9.373 -10.464 1.00 0.00 N ATOM 517 NH2 ARG A 37 -12.010 10.337 -10.426 1.00 0.00 N ATOM 0 H ARG A 37 -12.585 3.032 -8.623 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.134 4.413 -9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.968 5.177 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.708 6.395 -8.578 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.166 5.691 -10.973 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.620 4.714 -10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.352 6.740 -11.882 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.855 6.870 -10.208 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.201 8.012 -10.779 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.682 8.545 -10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.517 10.289 -10.320 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.995 10.252 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.438 11.252 -10.282 1.00 0.00 H new ATOM 531 N LEU A 38 -11.231 4.252 -6.203 1.00 0.00 N ATOM 532 CA LEU A 38 -10.852 4.461 -4.810 1.00 0.00 C ATOM 533 C LEU A 38 -10.079 3.262 -4.271 1.00 0.00 C ATOM 534 O LEU A 38 -9.259 3.395 -3.362 1.00 0.00 O ATOM 535 CB LEU A 38 -12.095 4.708 -3.954 1.00 0.00 C ATOM 536 CG LEU A 38 -13.368 3.985 -4.395 1.00 0.00 C ATOM 537 CD1 LEU A 38 -14.247 3.670 -3.195 1.00 0.00 C ATOM 538 CD2 LEU A 38 -14.131 4.822 -5.412 1.00 0.00 C ATOM 0 H LEU A 38 -12.124 3.776 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.206 5.338 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.870 4.413 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.296 5.779 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.083 3.045 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.148 3.156 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.700 3.031 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.524 4.597 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.034 4.292 -5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.404 5.778 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.502 4.996 -6.285 1.00 0.00 H new ATOM 550 N CYS A 39 -10.344 2.090 -4.838 1.00 0.00 N ATOM 551 CA CYS A 39 -9.672 0.866 -4.417 1.00 0.00 C ATOM 552 C CYS A 39 -8.244 0.817 -4.952 1.00 0.00 C ATOM 553 O CYS A 39 -7.418 0.039 -4.476 1.00 0.00 O ATOM 554 CB CYS A 39 -10.452 -0.360 -4.898 1.00 0.00 C ATOM 555 SG CYS A 39 -9.642 -1.948 -4.526 1.00 0.00 S ATOM 0 H CYS A 39 -11.020 1.962 -5.591 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.633 0.859 -3.328 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -11.440 -0.352 -4.439 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.601 -0.283 -5.975 1.00 0.00 H new ATOM 0 HG CYS A 39 -8.375 -1.749 -4.313 1.00 0.00 H new ATOM 560 N ARG A 40 -7.962 1.653 -5.946 1.00 0.00 N ATOM 561 CA ARG A 40 -6.635 1.705 -6.547 1.00 0.00 C ATOM 562 C ARG A 40 -5.784 2.790 -5.894 1.00 0.00 C ATOM 563 O ARG A 40 -4.560 2.676 -5.826 1.00 0.00 O ATOM 564 CB ARG A 40 -6.742 1.963 -8.051 1.00 0.00 C ATOM 565 CG ARG A 40 -7.023 3.415 -8.402 1.00 0.00 C ATOM 566 CD ARG A 40 -6.584 3.740 -9.820 1.00 0.00 C ATOM 567 NE ARG A 40 -6.985 5.086 -10.222 1.00 0.00 N ATOM 568 CZ ARG A 40 -6.363 5.788 -11.163 1.00 0.00 C ATOM 569 NH1 ARG A 40 -5.317 5.275 -11.796 1.00 0.00 N ATOM 570 NH2 ARG A 40 -6.788 7.006 -11.473 1.00 0.00 N ATOM 0 H ARG A 40 -8.635 2.303 -6.352 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.153 0.741 -6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.813 1.655 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.535 1.339 -8.463 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.089 3.617 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.503 4.067 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.501 3.647 -9.894 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.014 3.013 -10.508 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.786 5.510 -9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.988 4.339 -11.561 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.842 5.817 -12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.593 7.404 -10.989 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.310 7.544 -12.196 1.00 0.00 H new ATOM 584 N ASN A 41 -6.440 3.841 -5.415 1.00 0.00 N ATOM 585 CA ASN A 41 -5.744 4.947 -4.768 1.00 0.00 C ATOM 586 C ASN A 41 -5.775 4.797 -3.250 1.00 0.00 C ATOM 587 O ASN A 41 -4.875 5.261 -2.552 1.00 0.00 O ATOM 588 CB ASN A 41 -6.375 6.281 -5.173 1.00 0.00 C ATOM 589 CG ASN A 41 -6.298 7.316 -4.067 1.00 0.00 C ATOM 590 OD1 ASN A 41 -5.433 8.192 -4.081 1.00 0.00 O ATOM 591 ND2 ASN A 41 -7.204 7.219 -3.101 1.00 0.00 N ATOM 0 H ASN A 41 -7.453 3.950 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.704 4.930 -5.095 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.871 6.664 -6.061 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.418 6.119 -5.444 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.201 7.887 -2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.903 6.477 -3.130 1.00 0.00 H new ATOM 598 N ALA A 42 -6.818 4.144 -2.747 1.00 0.00 N ATOM 599 CA ALA A 42 -6.965 3.929 -1.313 1.00 0.00 C ATOM 600 C ALA A 42 -5.608 3.748 -0.643 1.00 0.00 C ATOM 601 O ALA A 42 -5.259 4.481 0.282 1.00 0.00 O ATOM 602 CB ALA A 42 -7.852 2.722 -1.049 1.00 0.00 C ATOM 0 H ALA A 42 -7.573 3.755 -3.312 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.437 4.813 -0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.953 2.573 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.836 2.891 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.403 1.836 -1.497 1.00 0.00 H new ATOM 608 N ALA A 43 -4.846 2.766 -1.115 1.00 0.00 N ATOM 609 CA ALA A 43 -3.527 2.489 -0.561 1.00 0.00 C ATOM 610 C ALA A 43 -2.501 2.274 -1.669 1.00 0.00 C ATOM 611 O ALA A 43 -2.323 1.156 -2.155 1.00 0.00 O ATOM 612 CB ALA A 43 -3.582 1.275 0.353 1.00 0.00 C ATOM 0 H ALA A 43 -5.120 2.149 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.216 3.355 0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.590 1.080 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.278 1.466 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.918 0.407 -0.214 1.00 0.00 H new ATOM 618 N VAL A 44 -1.829 3.350 -2.065 1.00 0.00 N ATOM 619 CA VAL A 44 -0.821 3.278 -3.116 1.00 0.00 C ATOM 620 C VAL A 44 0.575 3.525 -2.556 1.00 0.00 C ATOM 621 O VAL A 44 0.944 4.661 -2.257 1.00 0.00 O ATOM 622 CB VAL A 44 -1.102 4.299 -4.234 1.00 0.00 C ATOM 623 CG1 VAL A 44 0.007 4.270 -5.275 1.00 0.00 C ATOM 624 CG2 VAL A 44 -2.454 4.028 -4.876 1.00 0.00 C ATOM 0 H VAL A 44 -1.964 4.282 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.869 2.272 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.128 5.296 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.209 4.998 -6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.957 4.517 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.068 3.274 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.636 4.759 -5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.459 3.025 -5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.237 4.105 -4.122 1.00 0.00 H new ATOM 634 N CYS A 45 1.349 2.454 -2.416 1.00 0.00 N ATOM 635 CA CYS A 45 2.705 2.552 -1.891 1.00 0.00 C ATOM 636 C CYS A 45 3.584 3.394 -2.811 1.00 0.00 C ATOM 637 O CYS A 45 3.842 3.038 -3.961 1.00 0.00 O ATOM 638 CB CYS A 45 3.312 1.158 -1.723 1.00 0.00 C ATOM 639 SG CYS A 45 4.903 1.142 -0.835 1.00 0.00 S ATOM 0 H CYS A 45 1.059 1.507 -2.659 1.00 0.00 H new ATOM 0 HA CYS A 45 2.657 3.039 -0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.603 0.527 -1.188 1.00 0.00 H new ATOM 0 HB3 CYS A 45 3.453 0.714 -2.708 1.00 0.00 H new ATOM 0 HG CYS A 45 5.284 2.363 -0.605 1.00 0.00 H new ATOM 644 N PRO A 46 4.056 4.539 -2.295 1.00 0.00 N ATOM 645 CA PRO A 46 4.914 5.455 -3.052 1.00 0.00 C ATOM 646 C PRO A 46 6.304 4.878 -3.297 1.00 0.00 C ATOM 647 O PRO A 46 7.172 5.545 -3.861 1.00 0.00 O ATOM 648 CB PRO A 46 4.998 6.689 -2.150 1.00 0.00 C ATOM 649 CG PRO A 46 4.751 6.171 -0.775 1.00 0.00 C ATOM 650 CD PRO A 46 3.789 5.026 -0.931 1.00 0.00 C ATOM 0 HA PRO A 46 4.514 5.662 -4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.975 7.167 -2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.256 7.436 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.680 5.840 -0.310 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.333 6.948 -0.135 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.964 4.250 -0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.755 5.351 -0.816 1.00 0.00 H new ATOM 658 N TYR A 47 6.508 3.637 -2.871 1.00 0.00 N ATOM 659 CA TYR A 47 7.794 2.971 -3.043 1.00 0.00 C ATOM 660 C TYR A 47 7.790 2.094 -4.291 1.00 0.00 C ATOM 661 O TYR A 47 8.650 2.229 -5.162 1.00 0.00 O ATOM 662 CB TYR A 47 8.122 2.125 -1.812 1.00 0.00 C ATOM 663 CG TYR A 47 8.132 2.913 -0.521 1.00 0.00 C ATOM 664 CD1 TYR A 47 8.658 4.198 -0.473 1.00 0.00 C ATOM 665 CD2 TYR A 47 7.618 2.371 0.650 1.00 0.00 C ATOM 666 CE1 TYR A 47 8.670 4.921 0.704 1.00 0.00 C ATOM 667 CE2 TYR A 47 7.625 3.087 1.831 1.00 0.00 C ATOM 668 CZ TYR A 47 8.152 4.362 1.853 1.00 0.00 C ATOM 669 OH TYR A 47 8.162 5.078 3.028 1.00 0.00 O ATOM 0 H TYR A 47 5.799 3.071 -2.404 1.00 0.00 H new ATOM 0 HA TYR A 47 8.559 3.738 -3.163 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.393 1.319 -1.730 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.098 1.659 -1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.064 4.639 -1.371 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.206 1.373 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.083 5.919 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.220 2.651 2.732 1.00 0.00 H new ATOM 0 HH TYR A 47 7.559 4.654 3.674 1.00 0.00 H new ATOM 679 N CYS A 48 6.816 1.193 -4.371 1.00 0.00 N ATOM 680 CA CYS A 48 6.698 0.292 -5.511 1.00 0.00 C ATOM 681 C CYS A 48 5.474 0.639 -6.353 1.00 0.00 C ATOM 682 O CYS A 48 5.327 0.162 -7.479 1.00 0.00 O ATOM 683 CB CYS A 48 6.608 -1.158 -5.034 1.00 0.00 C ATOM 684 SG CYS A 48 5.289 -1.460 -3.814 1.00 0.00 S ATOM 0 H CYS A 48 6.097 1.068 -3.659 1.00 0.00 H new ATOM 0 HA CYS A 48 7.588 0.409 -6.129 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.445 -1.803 -5.897 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.565 -1.446 -4.598 1.00 0.00 H new ATOM 0 HG CYS A 48 5.359 -0.570 -2.869 1.00 0.00 H new ATOM 689 N SER A 49 4.599 1.473 -5.801 1.00 0.00 N ATOM 690 CA SER A 49 3.386 1.881 -6.499 1.00 0.00 C ATOM 691 C SER A 49 2.370 0.743 -6.535 1.00 0.00 C ATOM 692 O SER A 49 1.868 0.376 -7.598 1.00 0.00 O ATOM 693 CB SER A 49 3.718 2.327 -7.924 1.00 0.00 C ATOM 694 OG SER A 49 2.650 3.068 -8.489 1.00 0.00 O ATOM 0 H SER A 49 4.708 1.880 -4.872 1.00 0.00 H new ATOM 0 HA SER A 49 2.949 2.719 -5.955 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.623 2.935 -7.917 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.926 1.454 -8.542 1.00 0.00 H new ATOM 0 HG SER A 49 1.830 2.533 -8.461 1.00 0.00 H new ATOM 700 N LEU A 50 2.072 0.188 -5.365 1.00 0.00 N ATOM 701 CA LEU A 50 1.116 -0.909 -5.259 1.00 0.00 C ATOM 702 C LEU A 50 -0.307 -0.379 -5.115 1.00 0.00 C ATOM 703 O LEU A 50 -0.537 0.830 -5.160 1.00 0.00 O ATOM 704 CB LEU A 50 1.463 -1.801 -4.067 1.00 0.00 C ATOM 705 CG LEU A 50 2.320 -3.030 -4.375 1.00 0.00 C ATOM 706 CD1 LEU A 50 2.809 -3.676 -3.088 1.00 0.00 C ATOM 707 CD2 LEU A 50 1.537 -4.030 -5.212 1.00 0.00 C ATOM 0 H LEU A 50 2.479 0.480 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 50 1.174 -1.498 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.985 -1.196 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.533 -2.137 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 50 3.189 -2.708 -4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.417 -4.549 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.408 -2.959 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.953 -3.984 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.162 -4.898 -5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.649 -4.346 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.238 -3.563 -6.151 1.00 0.00 H new ATOM 719 N ARG A 51 -1.258 -1.291 -4.941 1.00 0.00 N ATOM 720 CA ARG A 51 -2.658 -0.915 -4.789 1.00 0.00 C ATOM 721 C ARG A 51 -3.409 -1.944 -3.948 1.00 0.00 C ATOM 722 O ARG A 51 -3.709 -3.043 -4.415 1.00 0.00 O ATOM 723 CB ARG A 51 -3.323 -0.778 -6.160 1.00 0.00 C ATOM 724 CG ARG A 51 -2.673 0.269 -7.050 1.00 0.00 C ATOM 725 CD ARG A 51 -3.103 0.112 -8.500 1.00 0.00 C ATOM 726 NE ARG A 51 -2.451 -1.026 -9.143 1.00 0.00 N ATOM 727 CZ ARG A 51 -2.946 -1.653 -10.205 1.00 0.00 C ATOM 728 NH1 ARG A 51 -4.091 -1.253 -10.741 1.00 0.00 N ATOM 729 NH2 ARG A 51 -2.295 -2.681 -10.733 1.00 0.00 N ATOM 0 H ARG A 51 -1.084 -2.295 -4.902 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.697 0.046 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.293 -1.743 -6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.374 -0.523 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.939 1.265 -6.696 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.588 0.185 -6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.184 -0.016 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.867 1.023 -9.049 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.568 -1.358 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.594 -0.462 -10.338 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.469 -1.736 -11.556 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.414 -2.991 -10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.676 -3.162 -11.548 1.00 0.00 H new ATOM 743 N PHE A 52 -3.708 -1.580 -2.706 1.00 0.00 N ATOM 744 CA PHE A 52 -4.422 -2.471 -1.799 1.00 0.00 C ATOM 745 C PHE A 52 -5.863 -2.008 -1.604 1.00 0.00 C ATOM 746 O PHE A 52 -6.181 -0.834 -1.795 1.00 0.00 O ATOM 747 CB PHE A 52 -3.709 -2.537 -0.447 1.00 0.00 C ATOM 748 CG PHE A 52 -2.324 -3.115 -0.528 1.00 0.00 C ATOM 749 CD1 PHE A 52 -1.248 -2.321 -0.892 1.00 0.00 C ATOM 750 CD2 PHE A 52 -2.099 -4.451 -0.239 1.00 0.00 C ATOM 751 CE1 PHE A 52 0.026 -2.850 -0.968 1.00 0.00 C ATOM 752 CE2 PHE A 52 -0.826 -4.986 -0.312 1.00 0.00 C ATOM 753 CZ PHE A 52 0.238 -4.184 -0.676 1.00 0.00 C ATOM 0 H PHE A 52 -3.467 -0.674 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.435 -3.466 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.651 -1.533 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.305 -3.137 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.407 -1.277 -1.119 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.928 -5.082 0.047 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.856 -2.221 -1.255 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.664 -6.029 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.234 -4.599 -0.732 1.00 0.00 H new ATOM 763 N PHE A 53 -6.731 -2.940 -1.223 1.00 0.00 N ATOM 764 CA PHE A 53 -8.139 -2.629 -1.004 1.00 0.00 C ATOM 765 C PHE A 53 -8.295 -1.494 0.004 1.00 0.00 C ATOM 766 O PHE A 53 -9.008 -0.522 -0.245 1.00 0.00 O ATOM 767 CB PHE A 53 -8.886 -3.870 -0.511 1.00 0.00 C ATOM 768 CG PHE A 53 -10.120 -3.551 0.284 1.00 0.00 C ATOM 769 CD1 PHE A 53 -10.939 -2.494 -0.078 1.00 0.00 C ATOM 770 CD2 PHE A 53 -10.459 -4.307 1.395 1.00 0.00 C ATOM 771 CE1 PHE A 53 -12.075 -2.197 0.652 1.00 0.00 C ATOM 772 CE2 PHE A 53 -11.594 -4.015 2.128 1.00 0.00 C ATOM 773 CZ PHE A 53 -12.402 -2.958 1.757 1.00 0.00 C ATOM 0 H PHE A 53 -6.484 -3.916 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 53 -8.567 -2.309 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.165 -4.481 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.213 -4.469 0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -10.687 -1.895 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.830 -5.133 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -12.706 -1.371 0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.849 -4.613 2.990 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.288 -2.727 2.330 1.00 0.00 H new ATOM 783 N SER A 54 -7.622 -1.626 1.143 1.00 0.00 N ATOM 784 CA SER A 54 -7.688 -0.614 2.191 1.00 0.00 C ATOM 785 C SER A 54 -6.312 -0.009 2.450 1.00 0.00 C ATOM 786 O SER A 54 -5.278 -0.597 2.133 1.00 0.00 O ATOM 787 CB SER A 54 -8.242 -1.222 3.482 1.00 0.00 C ATOM 788 OG SER A 54 -9.658 -1.242 3.470 1.00 0.00 O ATOM 0 H SER A 54 -7.025 -2.423 1.363 1.00 0.00 H new ATOM 0 HA SER A 54 -8.356 0.179 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.862 -2.237 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.891 -0.647 4.339 1.00 0.00 H new ATOM 0 HG SER A 54 -9.970 -2.091 3.093 1.00 0.00 H new ATOM 794 N PRO A 55 -6.298 1.195 3.040 1.00 0.00 N ATOM 795 CA PRO A 55 -5.056 1.907 3.355 1.00 0.00 C ATOM 796 C PRO A 55 -4.274 1.239 4.481 1.00 0.00 C ATOM 797 O PRO A 55 -3.045 1.300 4.516 1.00 0.00 O ATOM 798 CB PRO A 55 -5.542 3.292 3.792 1.00 0.00 C ATOM 799 CG PRO A 55 -6.930 3.068 4.285 1.00 0.00 C ATOM 800 CD PRO A 55 -7.493 1.954 3.445 1.00 0.00 C ATOM 0 HA PRO A 55 -4.372 1.927 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.906 3.706 4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.526 3.998 2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.930 2.799 5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.530 3.973 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.189 1.336 4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.037 2.337 2.582 1.00 0.00 H new ATOM 808 N GLU A 56 -4.994 0.600 5.397 1.00 0.00 N ATOM 809 CA GLU A 56 -4.365 -0.080 6.524 1.00 0.00 C ATOM 810 C GLU A 56 -3.507 -1.248 6.045 1.00 0.00 C ATOM 811 O GLU A 56 -2.419 -1.490 6.569 1.00 0.00 O ATOM 812 CB GLU A 56 -5.429 -0.583 7.503 1.00 0.00 C ATOM 813 CG GLU A 56 -5.838 0.449 8.539 1.00 0.00 C ATOM 814 CD GLU A 56 -7.186 0.146 9.164 1.00 0.00 C ATOM 815 OE1 GLU A 56 -7.232 -0.668 10.111 1.00 0.00 O ATOM 816 OE2 GLU A 56 -8.195 0.722 8.707 1.00 0.00 O ATOM 0 H GLU A 56 -6.012 0.539 5.381 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.721 0.636 7.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.311 -0.891 6.941 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.051 -1.469 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.081 0.493 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.871 1.433 8.072 1.00 0.00 H new ATOM 823 N LEU A 57 -4.004 -1.968 5.045 1.00 0.00 N ATOM 824 CA LEU A 57 -3.284 -3.111 4.494 1.00 0.00 C ATOM 825 C LEU A 57 -1.918 -2.690 3.963 1.00 0.00 C ATOM 826 O LEU A 57 -0.891 -3.252 4.344 1.00 0.00 O ATOM 827 CB LEU A 57 -4.100 -3.762 3.376 1.00 0.00 C ATOM 828 CG LEU A 57 -5.040 -4.891 3.800 1.00 0.00 C ATOM 829 CD1 LEU A 57 -5.948 -5.291 2.648 1.00 0.00 C ATOM 830 CD2 LEU A 57 -4.244 -6.089 4.296 1.00 0.00 C ATOM 0 H LEU A 57 -4.902 -1.781 4.599 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.134 -3.835 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.692 -2.988 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.409 -4.153 2.630 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.664 -4.531 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.610 -6.096 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.544 -4.432 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.342 -5.632 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.929 -6.883 4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.595 -6.450 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.637 -5.794 5.152 1.00 0.00 H new ATOM 842 N LYS A 58 -1.912 -1.695 3.082 1.00 0.00 N ATOM 843 CA LYS A 58 -0.672 -1.194 2.501 1.00 0.00 C ATOM 844 C LYS A 58 0.377 -0.952 3.581 1.00 0.00 C ATOM 845 O LYS A 58 1.513 -1.410 3.468 1.00 0.00 O ATOM 846 CB LYS A 58 -0.934 0.102 1.730 1.00 0.00 C ATOM 847 CG LYS A 58 0.327 0.753 1.189 1.00 0.00 C ATOM 848 CD LYS A 58 0.955 1.687 2.210 1.00 0.00 C ATOM 849 CE LYS A 58 0.447 3.111 2.048 1.00 0.00 C ATOM 850 NZ LYS A 58 0.433 3.846 3.343 1.00 0.00 N ATOM 0 H LYS A 58 -2.753 -1.219 2.755 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.291 -1.949 1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.609 -0.109 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.445 0.808 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.045 -0.018 0.910 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.090 1.310 0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.731 1.332 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.039 1.672 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.078 3.643 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.560 3.092 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.279 4.859 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.333 3.479 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.344 3.714 3.827 1.00 0.00 H new ATOM 864 N GLN A 59 -0.013 -0.232 4.628 1.00 0.00 N ATOM 865 CA GLN A 59 0.894 0.069 5.728 1.00 0.00 C ATOM 866 C GLN A 59 1.706 -1.162 6.117 1.00 0.00 C ATOM 867 O GLN A 59 2.919 -1.083 6.306 1.00 0.00 O ATOM 868 CB GLN A 59 0.111 0.580 6.939 1.00 0.00 C ATOM 869 CG GLN A 59 -0.575 1.916 6.699 1.00 0.00 C ATOM 870 CD GLN A 59 -1.283 2.437 7.934 1.00 0.00 C ATOM 871 OE1 GLN A 59 -1.615 1.675 8.842 1.00 0.00 O ATOM 872 NE2 GLN A 59 -1.520 3.743 7.974 1.00 0.00 N ATOM 0 H GLN A 59 -0.951 0.153 4.737 1.00 0.00 H new ATOM 0 HA GLN A 59 1.582 0.846 5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.640 -0.160 7.215 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.790 0.676 7.786 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.165 2.647 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.296 1.810 5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.228 4.338 7.199 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.994 4.151 8.780 1.00 0.00 H new ATOM 881 N GLU A 60 1.028 -2.300 6.234 1.00 0.00 N ATOM 882 CA GLU A 60 1.687 -3.547 6.601 1.00 0.00 C ATOM 883 C GLU A 60 2.767 -3.911 5.586 1.00 0.00 C ATOM 884 O GLU A 60 3.809 -4.462 5.942 1.00 0.00 O ATOM 885 CB GLU A 60 0.664 -4.680 6.702 1.00 0.00 C ATOM 886 CG GLU A 60 -0.601 -4.293 7.451 1.00 0.00 C ATOM 887 CD GLU A 60 -1.537 -5.468 7.660 1.00 0.00 C ATOM 888 OE1 GLU A 60 -1.999 -6.044 6.653 1.00 0.00 O ATOM 889 OE2 GLU A 60 -1.808 -5.810 8.830 1.00 0.00 O ATOM 0 H GLU A 60 0.023 -2.383 6.080 1.00 0.00 H new ATOM 0 HA GLU A 60 2.159 -3.406 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.396 -5.007 5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.126 -5.532 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.331 -3.871 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.122 -3.512 6.897 1.00 0.00 H new ATOM 896 N HIS A 61 2.509 -3.600 4.320 1.00 0.00 N ATOM 897 CA HIS A 61 3.458 -3.894 3.252 1.00 0.00 C ATOM 898 C HIS A 61 4.654 -2.949 3.313 1.00 0.00 C ATOM 899 O HIS A 61 5.799 -3.388 3.421 1.00 0.00 O ATOM 900 CB HIS A 61 2.775 -3.783 1.889 1.00 0.00 C ATOM 901 CG HIS A 61 3.732 -3.594 0.752 1.00 0.00 C ATOM 902 ND1 HIS A 61 4.447 -4.630 0.189 1.00 0.00 N ATOM 903 CD2 HIS A 61 4.089 -2.479 0.072 1.00 0.00 C ATOM 904 CE1 HIS A 61 5.204 -4.160 -0.786 1.00 0.00 C ATOM 905 NE2 HIS A 61 5.005 -2.858 -0.878 1.00 0.00 N ATOM 0 H HIS A 61 1.651 -3.145 4.008 1.00 0.00 H new ATOM 0 HA HIS A 61 3.816 -4.914 3.388 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.187 -4.684 1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.077 -2.946 1.909 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.722 -1.478 0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.872 -4.742 -1.403 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.458 -2.235 -1.546 1.00 0.00 H new ATOM 913 N GLU A 62 4.380 -1.650 3.242 1.00 0.00 N ATOM 914 CA GLU A 62 5.435 -0.644 3.287 1.00 0.00 C ATOM 915 C GLU A 62 6.508 -1.026 4.303 1.00 0.00 C ATOM 916 O GLU A 62 7.700 -1.014 3.997 1.00 0.00 O ATOM 917 CB GLU A 62 4.850 0.726 3.638 1.00 0.00 C ATOM 918 CG GLU A 62 4.550 1.589 2.424 1.00 0.00 C ATOM 919 CD GLU A 62 3.879 2.898 2.791 1.00 0.00 C ATOM 920 OE1 GLU A 62 3.169 2.933 3.818 1.00 0.00 O ATOM 921 OE2 GLU A 62 4.063 3.887 2.052 1.00 0.00 O ATOM 0 H GLU A 62 3.438 -1.270 3.153 1.00 0.00 H new ATOM 0 HA GLU A 62 5.895 -0.593 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.932 0.584 4.208 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.549 1.255 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.479 1.797 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.908 1.035 1.739 1.00 0.00 H new ATOM 928 N SER A 63 6.075 -1.364 5.513 1.00 0.00 N ATOM 929 CA SER A 63 6.998 -1.745 6.576 1.00 0.00 C ATOM 930 C SER A 63 7.926 -2.865 6.114 1.00 0.00 C ATOM 931 O SER A 63 9.102 -2.902 6.477 1.00 0.00 O ATOM 932 CB SER A 63 6.223 -2.189 7.818 1.00 0.00 C ATOM 933 OG SER A 63 6.951 -1.909 9.001 1.00 0.00 O ATOM 0 H SER A 63 5.091 -1.382 5.782 1.00 0.00 H new ATOM 0 HA SER A 63 7.604 -0.875 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.260 -1.680 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.016 -3.258 7.759 1.00 0.00 H new ATOM 0 HG SER A 63 6.433 -2.201 9.780 1.00 0.00 H new ATOM 939 N LYS A 64 7.388 -3.776 5.311 1.00 0.00 N ATOM 940 CA LYS A 64 8.165 -4.898 4.797 1.00 0.00 C ATOM 941 C LYS A 64 8.392 -4.759 3.295 1.00 0.00 C ATOM 942 O LYS A 64 8.745 -5.726 2.618 1.00 0.00 O ATOM 943 CB LYS A 64 7.454 -6.219 5.097 1.00 0.00 C ATOM 944 CG LYS A 64 6.047 -6.295 4.528 1.00 0.00 C ATOM 945 CD LYS A 64 5.142 -7.156 5.393 1.00 0.00 C ATOM 946 CE LYS A 64 5.504 -8.629 5.283 1.00 0.00 C ATOM 947 NZ LYS A 64 6.673 -8.978 6.138 1.00 0.00 N ATOM 0 H LYS A 64 6.416 -3.760 5.002 1.00 0.00 H new ATOM 0 HA LYS A 64 9.134 -4.895 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.045 -7.040 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.408 -6.361 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.630 -5.291 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.083 -6.704 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.220 -6.838 6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.104 -7.012 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.647 -9.236 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.728 -8.871 4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.544 -9.933 6.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.541 -8.953 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.751 -8.292 6.916 1.00 0.00 H new ATOM 961 N CYS A 65 8.187 -3.552 2.779 1.00 0.00 N ATOM 962 CA CYS A 65 8.370 -3.286 1.357 1.00 0.00 C ATOM 963 C CYS A 65 9.852 -3.239 0.999 1.00 0.00 C ATOM 964 O CYS A 65 10.620 -2.482 1.591 1.00 0.00 O ATOM 965 CB CYS A 65 7.699 -1.966 0.973 1.00 0.00 C ATOM 966 SG CYS A 65 7.901 -1.511 -0.779 1.00 0.00 S ATOM 0 H CYS A 65 7.894 -2.742 3.325 1.00 0.00 H new ATOM 0 HA CYS A 65 7.905 -4.098 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 65 6.635 -2.032 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.108 -1.169 1.594 1.00 0.00 H new ATOM 0 HG CYS A 65 7.580 -2.522 -1.530 1.00 0.00 H new ATOM 971 N GLU A 66 10.246 -4.054 0.025 1.00 0.00 N ATOM 972 CA GLU A 66 11.636 -4.105 -0.412 1.00 0.00 C ATOM 973 C GLU A 66 12.094 -2.745 -0.930 1.00 0.00 C ATOM 974 O GLU A 66 13.286 -2.436 -0.925 1.00 0.00 O ATOM 975 CB GLU A 66 11.813 -5.164 -1.503 1.00 0.00 C ATOM 976 CG GLU A 66 10.978 -4.903 -2.745 1.00 0.00 C ATOM 977 CD GLU A 66 11.114 -6.002 -3.781 1.00 0.00 C ATOM 978 OE1 GLU A 66 12.250 -6.249 -4.238 1.00 0.00 O ATOM 979 OE2 GLU A 66 10.085 -6.616 -4.134 1.00 0.00 O ATOM 0 H GLU A 66 9.623 -4.687 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 66 12.250 -4.373 0.448 1.00 0.00 H new ATOM 0 HB2 GLU A 66 12.865 -5.210 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.549 -6.140 -1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.930 -4.805 -2.460 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.278 -3.953 -3.187 1.00 0.00 H new ATOM 986 N TYR A 67 11.140 -1.937 -1.377 1.00 0.00 N ATOM 987 CA TYR A 67 11.444 -0.611 -1.901 1.00 0.00 C ATOM 988 C TYR A 67 11.495 0.421 -0.778 1.00 0.00 C ATOM 989 O TYR A 67 11.976 1.538 -0.966 1.00 0.00 O ATOM 990 CB TYR A 67 10.401 -0.198 -2.941 1.00 0.00 C ATOM 991 CG TYR A 67 10.512 -0.957 -4.244 1.00 0.00 C ATOM 992 CD1 TYR A 67 9.914 -2.201 -4.400 1.00 0.00 C ATOM 993 CD2 TYR A 67 11.215 -0.429 -5.320 1.00 0.00 C ATOM 994 CE1 TYR A 67 10.014 -2.898 -5.589 1.00 0.00 C ATOM 995 CE2 TYR A 67 11.319 -1.117 -6.513 1.00 0.00 C ATOM 996 CZ TYR A 67 10.717 -2.352 -6.642 1.00 0.00 C ATOM 997 OH TYR A 67 10.818 -3.042 -7.829 1.00 0.00 O ATOM 0 H TYR A 67 10.149 -2.177 -1.387 1.00 0.00 H new ATOM 0 HA TYR A 67 12.424 -0.653 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR A 67 9.405 -0.351 -2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 67 10.503 0.869 -3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.361 -2.631 -3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 67 11.689 0.537 -5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.544 -3.865 -5.693 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.868 -0.691 -7.340 1.00 0.00 H new ATOM 0 HH TYR A 67 11.345 -2.518 -8.468 1.00 0.00 H new ATOM 1007 N LYS A 68 10.995 0.037 0.391 1.00 0.00 N ATOM 1008 CA LYS A 68 10.983 0.925 1.548 1.00 0.00 C ATOM 1009 C LYS A 68 12.393 1.399 1.884 1.00 0.00 C ATOM 1010 O LYS A 68 12.650 2.599 1.980 1.00 0.00 O ATOM 1011 CB LYS A 68 10.371 0.214 2.757 1.00 0.00 C ATOM 1012 CG LYS A 68 10.497 0.998 4.051 1.00 0.00 C ATOM 1013 CD LYS A 68 9.301 1.908 4.272 1.00 0.00 C ATOM 1014 CE LYS A 68 9.349 2.571 5.640 1.00 0.00 C ATOM 1015 NZ LYS A 68 7.997 2.992 6.101 1.00 0.00 N ATOM 0 H LYS A 68 10.592 -0.884 0.563 1.00 0.00 H new ATOM 0 HA LYS A 68 10.375 1.795 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.316 0.022 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.854 -0.755 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.589 0.307 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A 68 11.409 1.594 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.277 2.673 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.381 1.331 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.780 1.879 6.364 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.006 3.440 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.073 3.439 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.595 3.672 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.377 2.159 6.165 1.00 0.00 H new ATOM 1029 N LYS A 69 13.306 0.449 2.060 1.00 0.00 N ATOM 1030 CA LYS A 69 14.691 0.769 2.383 1.00 0.00 C ATOM 1031 C LYS A 69 15.426 1.300 1.157 1.00 0.00 C ATOM 1032 O LYS A 69 16.375 2.077 1.278 1.00 0.00 O ATOM 1033 CB LYS A 69 15.409 -0.470 2.924 1.00 0.00 C ATOM 1034 CG LYS A 69 15.531 -1.594 1.910 1.00 0.00 C ATOM 1035 CD LYS A 69 14.361 -2.559 2.004 1.00 0.00 C ATOM 1036 CE LYS A 69 14.760 -3.962 1.574 1.00 0.00 C ATOM 1037 NZ LYS A 69 13.820 -4.991 2.099 1.00 0.00 N ATOM 0 H LYS A 69 13.111 -0.549 1.984 1.00 0.00 H new ATOM 0 HA LYS A 69 14.690 1.545 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.406 -0.184 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.872 -0.838 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.578 -1.175 0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.463 -2.134 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.989 -2.583 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.544 -2.204 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.785 -4.015 0.486 1.00 0.00 H new ATOM 0 HE3 LYS A 69 15.768 -4.177 1.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.623 -5.692 1.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.248 -5.466 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.931 -4.534 2.388 1.00 0.00 H new ATOM 1051 N LEU A 70 14.982 0.880 -0.022 1.00 0.00 N ATOM 1052 CA LEU A 70 15.598 1.315 -1.271 1.00 0.00 C ATOM 1053 C LEU A 70 15.141 2.722 -1.642 1.00 0.00 C ATOM 1054 O LEU A 70 15.683 3.342 -2.558 1.00 0.00 O ATOM 1055 CB LEU A 70 15.253 0.341 -2.399 1.00 0.00 C ATOM 1056 CG LEU A 70 15.759 -1.092 -2.227 1.00 0.00 C ATOM 1057 CD1 LEU A 70 15.216 -1.986 -3.330 1.00 0.00 C ATOM 1058 CD2 LEU A 70 17.281 -1.122 -2.214 1.00 0.00 C ATOM 0 H LEU A 70 14.198 0.239 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 70 16.679 1.329 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.169 0.312 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.656 0.738 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 70 15.400 -1.472 -1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 70 15.587 -3.002 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.127 -1.989 -3.293 1.00 0.00 H new ATOM 0 HD13 LEU A 70 15.545 -1.609 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.624 -2.149 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.661 -0.723 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.650 -0.515 -1.387 1.00 0.00 H new ATOM 1070 N THR A 71 14.141 3.223 -0.923 1.00 0.00 N ATOM 1071 CA THR A 71 13.611 4.557 -1.175 1.00 0.00 C ATOM 1072 C THR A 71 14.208 5.576 -0.212 1.00 0.00 C ATOM 1073 O THR A 71 13.957 5.530 0.992 1.00 0.00 O ATOM 1074 CB THR A 71 12.076 4.585 -1.048 1.00 0.00 C ATOM 1075 OG1 THR A 71 11.488 3.713 -2.019 1.00 0.00 O ATOM 1076 CG2 THR A 71 11.544 5.997 -1.238 1.00 0.00 C ATOM 0 H THR A 71 13.682 2.724 -0.161 1.00 0.00 H new ATOM 0 HA THR A 71 13.888 4.820 -2.196 1.00 0.00 H new ATOM 0 HB THR A 71 11.810 4.245 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 71 11.315 2.839 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.458 5.992 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.971 6.652 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.821 6.360 -2.228 1.00 0.00 H new ATOM 1084 N CYS A 72 15.000 6.498 -0.750 1.00 0.00 N ATOM 1085 CA CYS A 72 15.634 7.530 0.061 1.00 0.00 C ATOM 1086 C CYS A 72 14.602 8.533 0.569 1.00 0.00 C ATOM 1087 O CYS A 72 14.483 9.640 0.042 1.00 0.00 O ATOM 1088 CB CYS A 72 16.710 8.256 -0.749 1.00 0.00 C ATOM 1089 SG CYS A 72 17.664 9.477 0.208 1.00 0.00 S ATOM 0 H CYS A 72 15.218 6.551 -1.745 1.00 0.00 H new ATOM 0 HA CYS A 72 16.099 7.047 0.920 1.00 0.00 H new ATOM 0 HB2 CYS A 72 17.397 7.518 -1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 72 16.237 8.760 -1.592 1.00 0.00 H new ATOM 0 HG CYS A 72 18.280 8.878 1.184 1.00 0.00 H new ATOM 1094 N LEU A 73 13.857 8.138 1.595 1.00 0.00 N ATOM 1095 CA LEU A 73 12.835 9.002 2.176 1.00 0.00 C ATOM 1096 C LEU A 73 13.297 10.455 2.197 1.00 0.00 C ATOM 1097 O LEU A 73 12.482 11.376 2.142 1.00 0.00 O ATOM 1098 CB LEU A 73 12.496 8.542 3.595 1.00 0.00 C ATOM 1099 CG LEU A 73 12.196 7.052 3.764 1.00 0.00 C ATOM 1100 CD1 LEU A 73 11.963 6.717 5.229 1.00 0.00 C ATOM 1101 CD2 LEU A 73 10.991 6.652 2.926 1.00 0.00 C ATOM 0 H LEU A 73 13.941 7.225 2.042 1.00 0.00 H new ATOM 0 HA LEU A 73 11.942 8.933 1.555 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.329 8.801 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.631 9.108 3.942 1.00 0.00 H new ATOM 0 HG LEU A 73 13.060 6.486 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.751 5.653 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.854 6.966 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.117 7.292 5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.792 5.589 3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.120 7.226 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.196 6.854 1.875 1.00 0.00 H new ATOM 1113 N GLU A 74 14.609 10.652 2.274 1.00 0.00 N ATOM 1114 CA GLU A 74 15.179 11.994 2.301 1.00 0.00 C ATOM 1115 C GLU A 74 14.718 12.805 1.093 1.00 0.00 C ATOM 1116 O GLU A 74 13.921 13.735 1.222 1.00 0.00 O ATOM 1117 CB GLU A 74 16.707 11.923 2.327 1.00 0.00 C ATOM 1118 CG GLU A 74 17.355 13.038 3.131 1.00 0.00 C ATOM 1119 CD GLU A 74 16.905 14.416 2.684 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.512 14.559 1.508 1.00 0.00 O ATOM 1121 OE2 GLU A 74 16.948 15.350 3.511 1.00 0.00 O ATOM 0 H GLU A 74 15.297 9.900 2.319 1.00 0.00 H new ATOM 0 HA GLU A 74 14.830 12.491 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 74 17.011 10.963 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.081 11.959 1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.116 12.906 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.439 12.966 3.038 1.00 0.00 H new ATOM 1128 N CYS A 75 15.225 12.446 -0.082 1.00 0.00 N ATOM 1129 CA CYS A 75 14.867 13.139 -1.314 1.00 0.00 C ATOM 1130 C CYS A 75 13.996 12.256 -2.202 1.00 0.00 C ATOM 1131 O CYS A 75 14.040 12.355 -3.427 1.00 0.00 O ATOM 1132 CB CYS A 75 16.128 13.558 -2.072 1.00 0.00 C ATOM 1133 SG CYS A 75 17.139 12.162 -2.662 1.00 0.00 S ATOM 0 H CYS A 75 15.885 11.679 -0.207 1.00 0.00 H new ATOM 0 HA CYS A 75 14.298 14.030 -1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 75 15.839 14.170 -2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 75 16.738 14.185 -1.422 1.00 0.00 H new ATOM 0 HG CYS A 75 17.294 11.301 -1.700 1.00 0.00 H new ATOM 1138 N MET A 76 13.204 11.393 -1.573 1.00 0.00 N ATOM 1139 CA MET A 76 12.321 10.493 -2.306 1.00 0.00 C ATOM 1140 C MET A 76 12.995 9.986 -3.578 1.00 0.00 C ATOM 1141 O MET A 76 12.453 10.124 -4.675 1.00 0.00 O ATOM 1142 CB MET A 76 11.012 11.203 -2.657 1.00 0.00 C ATOM 1143 CG MET A 76 10.006 11.219 -1.517 1.00 0.00 C ATOM 1144 SD MET A 76 8.973 9.742 -1.481 1.00 0.00 S ATOM 1145 CE MET A 76 9.782 8.794 -0.195 1.00 0.00 C ATOM 0 H MET A 76 13.156 11.298 -0.559 1.00 0.00 H new ATOM 0 HA MET A 76 12.102 9.638 -1.666 1.00 0.00 H new ATOM 0 HB2 MET A 76 11.232 12.229 -2.951 1.00 0.00 H new ATOM 0 HB3 MET A 76 10.563 10.713 -3.521 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.538 11.309 -0.570 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.371 12.100 -1.611 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.268 7.841 -0.067 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.820 8.612 -0.475 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.752 9.351 0.741 1.00 0.00 H new ATOM 1155 N ARG A 77 14.178 9.401 -3.422 1.00 0.00 N ATOM 1156 CA ARG A 77 14.925 8.876 -4.558 1.00 0.00 C ATOM 1157 C ARG A 77 15.080 7.361 -4.454 1.00 0.00 C ATOM 1158 O ARG A 77 15.915 6.861 -3.699 1.00 0.00 O ATOM 1159 CB ARG A 77 16.303 9.535 -4.638 1.00 0.00 C ATOM 1160 CG ARG A 77 17.016 9.298 -5.960 1.00 0.00 C ATOM 1161 CD ARG A 77 17.967 10.437 -6.291 1.00 0.00 C ATOM 1162 NE ARG A 77 18.101 10.637 -7.732 1.00 0.00 N ATOM 1163 CZ ARG A 77 18.458 11.791 -8.284 1.00 0.00 C ATOM 1164 NH1 ARG A 77 18.716 12.844 -7.519 1.00 0.00 N ATOM 1165 NH2 ARG A 77 18.558 11.895 -9.603 1.00 0.00 N ATOM 0 H ARG A 77 14.639 9.279 -2.521 1.00 0.00 H new ATOM 0 HA ARG A 77 14.366 9.106 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 77 16.193 10.608 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG A 77 16.925 9.157 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 77 17.571 8.361 -5.913 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.281 9.193 -6.758 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.606 11.356 -5.829 1.00 0.00 H new ATOM 0 HD3 ARG A 77 18.947 10.228 -5.861 1.00 0.00 H new ATOM 0 HE ARG A 77 17.910 9.847 -8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.640 12.768 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 77 18.990 13.729 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 77 18.361 11.088 -10.195 1.00 0.00 H new ATOM 0 HH22 ARG A 77 18.832 12.782 -10.025 1.00 0.00 H new ATOM 1179 N THR A 78 14.269 6.634 -5.216 1.00 0.00 N ATOM 1180 CA THR A 78 14.314 5.178 -5.209 1.00 0.00 C ATOM 1181 C THR A 78 15.449 4.658 -6.083 1.00 0.00 C ATOM 1182 O THR A 78 15.764 5.241 -7.120 1.00 0.00 O ATOM 1183 CB THR A 78 12.985 4.572 -5.699 1.00 0.00 C ATOM 1184 OG1 THR A 78 11.886 5.368 -5.243 1.00 0.00 O ATOM 1185 CG2 THR A 78 12.825 3.144 -5.201 1.00 0.00 C ATOM 0 H THR A 78 13.572 7.031 -5.846 1.00 0.00 H new ATOM 0 HA THR A 78 14.485 4.873 -4.177 1.00 0.00 H new ATOM 0 HB THR A 78 12.997 4.560 -6.789 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.045 4.977 -5.560 1.00 0.00 H new ATOM 0 HG21 THR A 78 11.879 2.737 -5.560 1.00 0.00 H new ATOM 0 HG22 THR A 78 13.647 2.534 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 78 12.833 3.136 -4.111 1.00 0.00 H new ATOM 1193 N PHE A 79 16.061 3.558 -5.658 1.00 0.00 N ATOM 1194 CA PHE A 79 17.163 2.959 -6.402 1.00 0.00 C ATOM 1195 C PHE A 79 16.866 1.500 -6.734 1.00 0.00 C ATOM 1196 O PHE A 79 15.775 0.998 -6.460 1.00 0.00 O ATOM 1197 CB PHE A 79 18.461 3.057 -5.599 1.00 0.00 C ATOM 1198 CG PHE A 79 19.027 4.447 -5.540 1.00 0.00 C ATOM 1199 CD1 PHE A 79 18.373 5.446 -4.838 1.00 0.00 C ATOM 1200 CD2 PHE A 79 20.213 4.755 -6.187 1.00 0.00 C ATOM 1201 CE1 PHE A 79 18.890 6.726 -4.783 1.00 0.00 C ATOM 1202 CE2 PHE A 79 20.736 6.033 -6.135 1.00 0.00 C ATOM 1203 CZ PHE A 79 20.074 7.020 -5.431 1.00 0.00 C ATOM 0 H PHE A 79 15.812 3.063 -4.802 1.00 0.00 H new ATOM 0 HA PHE A 79 17.279 3.509 -7.336 1.00 0.00 H new ATOM 0 HB2 PHE A 79 18.278 2.705 -4.584 1.00 0.00 H new ATOM 0 HB3 PHE A 79 19.202 2.390 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 79 17.448 5.222 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 79 20.735 3.987 -6.739 1.00 0.00 H new ATOM 0 HE1 PHE A 79 18.369 7.496 -4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 79 21.661 6.260 -6.644 1.00 0.00 H new ATOM 0 HZ PHE A 79 20.481 8.019 -5.387 1.00 0.00 H new ATOM 1213 N LYS A 80 17.843 0.824 -7.328 1.00 0.00 N ATOM 1214 CA LYS A 80 17.689 -0.578 -7.698 1.00 0.00 C ATOM 1215 C LYS A 80 18.098 -1.493 -6.548 1.00 0.00 C ATOM 1216 O LYS A 80 17.425 -2.482 -6.260 1.00 0.00 O ATOM 1217 CB LYS A 80 18.528 -0.894 -8.939 1.00 0.00 C ATOM 1218 CG LYS A 80 17.983 -0.277 -10.215 1.00 0.00 C ATOM 1219 CD LYS A 80 18.149 1.233 -10.219 1.00 0.00 C ATOM 1220 CE LYS A 80 17.820 1.827 -11.580 1.00 0.00 C ATOM 1221 NZ LYS A 80 16.352 1.868 -11.827 1.00 0.00 N ATOM 0 H LYS A 80 18.751 1.225 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 80 16.637 -0.755 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 80 19.546 -0.538 -8.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 18.584 -1.975 -9.064 1.00 0.00 H new ATOM 0 HG2 LYS A 80 18.499 -0.703 -11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 80 16.928 -0.528 -10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.500 1.673 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 80 19.173 1.488 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 80 18.227 2.836 -11.644 1.00 0.00 H new ATOM 0 HE3 LYS A 80 18.303 1.238 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.169 2.279 -12.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.967 0.903 -11.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 15.893 2.451 -11.098 1.00 0.00 H new ATOM 1235 N SER A 81 19.204 -1.155 -5.894 1.00 0.00 N ATOM 1236 CA SER A 81 19.704 -1.947 -4.776 1.00 0.00 C ATOM 1237 C SER A 81 19.999 -1.060 -3.570 1.00 0.00 C ATOM 1238 O SER A 81 19.976 0.167 -3.668 1.00 0.00 O ATOM 1239 CB SER A 81 20.967 -2.707 -5.186 1.00 0.00 C ATOM 1240 OG SER A 81 21.409 -3.561 -4.146 1.00 0.00 O ATOM 0 H SER A 81 19.771 -0.338 -6.119 1.00 0.00 H new ATOM 0 HA SER A 81 18.932 -2.664 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A 81 20.767 -3.294 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.756 -1.998 -5.439 1.00 0.00 H new ATOM 0 HG SER A 81 22.216 -4.036 -4.434 1.00 0.00 H new ATOM 1246 N SER A 82 20.276 -1.691 -2.433 1.00 0.00 N ATOM 1247 CA SER A 82 20.572 -0.961 -1.207 1.00 0.00 C ATOM 1248 C SER A 82 21.983 -0.383 -1.246 1.00 0.00 C ATOM 1249 O SER A 82 22.205 0.771 -0.876 1.00 0.00 O ATOM 1250 CB SER A 82 20.417 -1.878 0.008 1.00 0.00 C ATOM 1251 OG SER A 82 21.460 -2.836 0.059 1.00 0.00 O ATOM 0 H SER A 82 20.301 -2.706 -2.336 1.00 0.00 H new ATOM 0 HA SER A 82 19.863 -0.137 -1.124 1.00 0.00 H new ATOM 0 HB2 SER A 82 20.421 -1.282 0.921 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.454 -2.386 -0.036 1.00 0.00 H new ATOM 0 HG SER A 82 21.340 -3.409 0.845 1.00 0.00 H new ATOM 1257 N PHE A 83 22.935 -1.193 -1.697 1.00 0.00 N ATOM 1258 CA PHE A 83 24.326 -0.764 -1.784 1.00 0.00 C ATOM 1259 C PHE A 83 24.463 0.457 -2.689 1.00 0.00 C ATOM 1260 O PHE A 83 25.223 1.379 -2.395 1.00 0.00 O ATOM 1261 CB PHE A 83 25.202 -1.904 -2.309 1.00 0.00 C ATOM 1262 CG PHE A 83 26.582 -1.465 -2.706 1.00 0.00 C ATOM 1263 CD1 PHE A 83 27.610 -1.443 -1.777 1.00 0.00 C ATOM 1264 CD2 PHE A 83 26.852 -1.076 -4.008 1.00 0.00 C ATOM 1265 CE1 PHE A 83 28.881 -1.039 -2.140 1.00 0.00 C ATOM 1266 CE2 PHE A 83 28.121 -0.671 -4.377 1.00 0.00 C ATOM 1267 CZ PHE A 83 29.137 -0.654 -3.441 1.00 0.00 C ATOM 0 H PHE A 83 22.769 -2.150 -2.008 1.00 0.00 H new ATOM 0 HA PHE A 83 24.659 -0.491 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 83 25.281 -2.674 -1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 83 24.713 -2.361 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 83 27.416 -1.745 -0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 83 26.061 -1.089 -4.744 1.00 0.00 H new ATOM 0 HE1 PHE A 83 29.673 -1.024 -1.406 1.00 0.00 H new ATOM 0 HE2 PHE A 83 28.318 -0.368 -5.395 1.00 0.00 H new ATOM 0 HZ PHE A 83 30.130 -0.340 -3.727 1.00 0.00 H new ATOM 1277 N SER A 84 23.722 0.454 -3.793 1.00 0.00 N ATOM 1278 CA SER A 84 23.764 1.558 -4.744 1.00 0.00 C ATOM 1279 C SER A 84 23.301 2.856 -4.090 1.00 0.00 C ATOM 1280 O SER A 84 24.007 3.865 -4.120 1.00 0.00 O ATOM 1281 CB SER A 84 22.888 1.246 -5.959 1.00 0.00 C ATOM 1282 OG SER A 84 23.301 1.990 -7.091 1.00 0.00 O ATOM 0 H SER A 84 23.086 -0.301 -4.050 1.00 0.00 H new ATOM 0 HA SER A 84 24.796 1.684 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 84 22.938 0.180 -6.183 1.00 0.00 H new ATOM 0 HB3 SER A 84 21.847 1.475 -5.729 1.00 0.00 H new ATOM 0 HG SER A 84 22.726 1.771 -7.854 1.00 0.00 H new ATOM 1288 N ILE A 85 22.111 2.823 -3.499 1.00 0.00 N ATOM 1289 CA ILE A 85 21.555 3.996 -2.837 1.00 0.00 C ATOM 1290 C ILE A 85 22.439 4.444 -1.678 1.00 0.00 C ATOM 1291 O ILE A 85 22.646 5.639 -1.468 1.00 0.00 O ATOM 1292 CB ILE A 85 20.134 3.722 -2.308 1.00 0.00 C ATOM 1293 CG1 ILE A 85 19.578 4.966 -1.611 1.00 0.00 C ATOM 1294 CG2 ILE A 85 20.142 2.535 -1.357 1.00 0.00 C ATOM 1295 CD1 ILE A 85 18.088 4.901 -1.359 1.00 0.00 C ATOM 0 H ILE A 85 21.514 1.997 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 85 21.510 4.789 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 85 19.488 3.481 -3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 85 20.094 5.101 -0.660 1.00 0.00 H new ATOM 0 HG13 ILE A 85 19.798 5.843 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 85 19.131 2.354 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 85 20.502 1.650 -1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 85 20.799 2.749 -0.514 1.00 0.00 H new ATOM 0 HD11 ILE A 85 17.763 5.815 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 85 17.563 4.797 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 85 17.863 4.044 -0.724 1.00 0.00 H new ATOM 1307 N TRP A 86 22.959 3.478 -0.930 1.00 0.00 N ATOM 1308 CA TRP A 86 23.823 3.773 0.208 1.00 0.00 C ATOM 1309 C TRP A 86 24.843 4.849 -0.149 1.00 0.00 C ATOM 1310 O TRP A 86 25.056 5.792 0.614 1.00 0.00 O ATOM 1311 CB TRP A 86 24.542 2.505 0.671 1.00 0.00 C ATOM 1312 CG TRP A 86 25.356 2.704 1.914 1.00 0.00 C ATOM 1313 CD1 TRP A 86 24.899 3.102 3.138 1.00 0.00 C ATOM 1314 CD2 TRP A 86 26.768 2.516 2.052 1.00 0.00 C ATOM 1315 NE1 TRP A 86 25.943 3.173 4.029 1.00 0.00 N ATOM 1316 CE2 TRP A 86 27.100 2.818 3.387 1.00 0.00 C ATOM 1317 CE3 TRP A 86 27.785 2.120 1.179 1.00 0.00 C ATOM 1318 CZ2 TRP A 86 28.405 2.736 3.867 1.00 0.00 C ATOM 1319 CZ3 TRP A 86 29.079 2.040 1.656 1.00 0.00 C ATOM 1320 CH2 TRP A 86 29.380 2.346 2.990 1.00 0.00 C ATOM 0 H TRP A 86 22.798 2.484 -1.091 1.00 0.00 H new ATOM 0 HA TRP A 86 23.199 4.145 1.020 1.00 0.00 H new ATOM 0 HB2 TRP A 86 23.805 1.722 0.850 1.00 0.00 H new ATOM 0 HB3 TRP A 86 25.193 2.153 -0.129 1.00 0.00 H new ATOM 0 HD1 TRP A 86 23.869 3.328 3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 86 25.868 3.446 5.009 1.00 0.00 H new ATOM 0 HE3 TRP A 86 27.563 1.881 0.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 28.639 2.972 4.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 29.872 1.736 0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 86 30.402 2.273 3.333 1.00 0.00 H new ATOM 1331 N ARG A 87 25.470 4.702 -1.311 1.00 0.00 N ATOM 1332 CA ARG A 87 26.468 5.662 -1.767 1.00 0.00 C ATOM 1333 C ARG A 87 25.839 7.033 -1.997 1.00 0.00 C ATOM 1334 O ARG A 87 26.471 8.064 -1.765 1.00 0.00 O ATOM 1335 CB ARG A 87 27.128 5.170 -3.056 1.00 0.00 C ATOM 1336 CG ARG A 87 27.850 3.841 -2.902 1.00 0.00 C ATOM 1337 CD ARG A 87 29.077 3.973 -2.014 1.00 0.00 C ATOM 1338 NE ARG A 87 30.184 4.628 -2.704 1.00 0.00 N ATOM 1339 CZ ARG A 87 31.158 5.281 -2.078 1.00 0.00 C ATOM 1340 NH1 ARG A 87 31.160 5.364 -0.755 1.00 0.00 N ATOM 1341 NH2 ARG A 87 32.131 5.851 -2.776 1.00 0.00 N ATOM 0 H ARG A 87 25.305 3.928 -1.954 1.00 0.00 H new ATOM 0 HA ARG A 87 27.227 5.755 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 87 26.366 5.073 -3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 87 27.838 5.922 -3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 87 27.170 3.103 -2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 87 28.148 3.472 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 87 28.819 4.542 -1.121 1.00 0.00 H new ATOM 0 HD3 ARG A 87 29.392 2.984 -1.681 1.00 0.00 H new ATOM 0 HE ARG A 87 30.212 4.582 -3.723 1.00 0.00 H new ATOM 0 HH11 ARG A 87 30.413 4.926 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 87 31.908 5.866 -0.277 1.00 0.00 H new ATOM 0 HH21 ARG A 87 32.132 5.789 -3.794 1.00 0.00 H new ATOM 0 HH22 ARG A 87 32.878 6.352 -2.295 1.00 0.00 H new ATOM 1355 N HIS A 88 24.591 7.037 -2.454 1.00 0.00 N ATOM 1356 CA HIS A 88 23.877 8.281 -2.715 1.00 0.00 C ATOM 1357 C HIS A 88 23.571 9.016 -1.413 1.00 0.00 C ATOM 1358 O HIS A 88 23.451 10.241 -1.395 1.00 0.00 O ATOM 1359 CB HIS A 88 22.578 7.999 -3.472 1.00 0.00 C ATOM 1360 CG HIS A 88 21.572 9.104 -3.367 1.00 0.00 C ATOM 1361 ND1 HIS A 88 21.582 10.211 -4.189 1.00 0.00 N ATOM 1362 CD2 HIS A 88 20.520 9.267 -2.532 1.00 0.00 C ATOM 1363 CE1 HIS A 88 20.580 11.008 -3.863 1.00 0.00 C ATOM 1364 NE2 HIS A 88 19.920 10.458 -2.860 1.00 0.00 N ATOM 0 H HIS A 88 24.054 6.193 -2.651 1.00 0.00 H new ATOM 0 HA HIS A 88 24.516 8.916 -3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 88 22.809 7.828 -4.523 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.136 7.079 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 88 20.210 8.587 -1.752 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.341 11.949 -4.336 1.00 0.00 H new ATOM 0 HE2 HIS A 88 19.098 10.853 -2.403 1.00 0.00 H new ATOM 1372 N GLN A 89 23.447 8.259 -0.328 1.00 0.00 N ATOM 1373 CA GLN A 89 23.154 8.839 0.978 1.00 0.00 C ATOM 1374 C GLN A 89 24.433 9.039 1.784 1.00 0.00 C ATOM 1375 O GLN A 89 24.457 9.801 2.750 1.00 0.00 O ATOM 1376 CB GLN A 89 22.184 7.944 1.751 1.00 0.00 C ATOM 1377 CG GLN A 89 20.894 7.654 1.001 1.00 0.00 C ATOM 1378 CD GLN A 89 19.976 6.717 1.761 1.00 0.00 C ATOM 1379 OE1 GLN A 89 19.035 7.154 2.424 1.00 0.00 O ATOM 1380 NE2 GLN A 89 20.244 5.420 1.668 1.00 0.00 N ATOM 0 H GLN A 89 23.545 7.244 -0.327 1.00 0.00 H new ATOM 0 HA GLN A 89 22.690 9.813 0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 89 22.679 7.001 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 89 21.943 8.420 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 89 20.372 8.591 0.808 1.00 0.00 H new ATOM 0 HG3 GLN A 89 21.132 7.216 0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 89 21.034 5.101 1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.660 4.742 2.157 1.00 0.00 H new ATOM 1389 N VAL A 90 25.495 8.349 1.380 1.00 0.00 N ATOM 1390 CA VAL A 90 26.779 8.452 2.064 1.00 0.00 C ATOM 1391 C VAL A 90 27.689 9.463 1.377 1.00 0.00 C ATOM 1392 O VAL A 90 28.578 10.038 2.003 1.00 0.00 O ATOM 1393 CB VAL A 90 27.494 7.089 2.122 1.00 0.00 C ATOM 1394 CG1 VAL A 90 28.889 7.242 2.708 1.00 0.00 C ATOM 1395 CG2 VAL A 90 26.675 6.091 2.927 1.00 0.00 C ATOM 0 H VAL A 90 25.492 7.713 0.583 1.00 0.00 H new ATOM 0 HA VAL A 90 26.571 8.788 3.080 1.00 0.00 H new ATOM 0 HB VAL A 90 27.593 6.707 1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 90 29.379 6.269 2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 90 29.472 7.921 2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 90 28.817 7.646 3.718 1.00 0.00 H new ATOM 0 HG21 VAL A 90 27.195 5.134 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 90 26.542 6.464 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 90 25.700 5.959 2.459 1.00 0.00 H new ATOM 1405 N GLU A 91 27.460 9.674 0.084 1.00 0.00 N ATOM 1406 CA GLU A 91 28.261 10.617 -0.689 1.00 0.00 C ATOM 1407 C GLU A 91 27.608 11.996 -0.711 1.00 0.00 C ATOM 1408 O GLU A 91 28.283 13.017 -0.586 1.00 0.00 O ATOM 1409 CB GLU A 91 28.450 10.107 -2.119 1.00 0.00 C ATOM 1410 CG GLU A 91 29.287 8.842 -2.209 1.00 0.00 C ATOM 1411 CD GLU A 91 30.027 8.725 -3.527 1.00 0.00 C ATOM 1412 OE1 GLU A 91 30.908 9.570 -3.789 1.00 0.00 O ATOM 1413 OE2 GLU A 91 29.726 7.789 -4.296 1.00 0.00 O ATOM 0 H GLU A 91 26.728 9.205 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 91 29.236 10.704 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.472 9.917 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.922 10.888 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.006 8.828 -1.390 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.641 7.973 -2.081 1.00 0.00 H new ATOM 1420 N VAL A 92 26.288 12.016 -0.870 1.00 0.00 N ATOM 1421 CA VAL A 92 25.542 13.268 -0.908 1.00 0.00 C ATOM 1422 C VAL A 92 25.105 13.690 0.490 1.00 0.00 C ATOM 1423 O VAL A 92 25.549 14.716 1.008 1.00 0.00 O ATOM 1424 CB VAL A 92 24.299 13.154 -1.810 1.00 0.00 C ATOM 1425 CG1 VAL A 92 23.635 14.512 -1.979 1.00 0.00 C ATOM 1426 CG2 VAL A 92 24.673 12.563 -3.161 1.00 0.00 C ATOM 0 H VAL A 92 25.714 11.179 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 92 26.212 14.023 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 92 23.585 12.484 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 92 22.759 14.411 -2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 92 23.330 14.892 -1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 92 24.340 15.207 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 92 23.782 12.490 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 92 25.406 13.205 -3.649 1.00 0.00 H new ATOM 0 HG23 VAL A 92 25.099 11.570 -3.018 1.00 0.00 H new ATOM 1436 N HIS A 93 24.232 12.893 1.097 1.00 0.00 N ATOM 1437 CA HIS A 93 23.735 13.183 2.437 1.00 0.00 C ATOM 1438 C HIS A 93 24.801 12.888 3.488 1.00 0.00 C ATOM 1439 O HIS A 93 24.826 13.505 4.552 1.00 0.00 O ATOM 1440 CB HIS A 93 22.477 12.364 2.726 1.00 0.00 C ATOM 1441 CG HIS A 93 21.342 12.661 1.795 1.00 0.00 C ATOM 1442 ND1 HIS A 93 20.397 13.634 2.046 1.00 0.00 N ATOM 1443 CD2 HIS A 93 21.003 12.108 0.607 1.00 0.00 C ATOM 1444 CE1 HIS A 93 19.526 13.665 1.054 1.00 0.00 C ATOM 1445 NE2 HIS A 93 19.872 12.749 0.167 1.00 0.00 N ATOM 0 H HIS A 93 23.854 12.041 0.682 1.00 0.00 H new ATOM 0 HA HIS A 93 23.488 14.244 2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 93 22.721 11.304 2.662 1.00 0.00 H new ATOM 0 HB3 HIS A 93 22.156 12.556 3.750 1.00 0.00 H new ATOM 0 HD2 HIS A 93 21.525 11.311 0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 93 18.676 14.327 0.980 1.00 0.00 H new ATOM 0 HE2 HIS A 93 19.379 12.550 -0.703 1.00 0.00 H new ATOM 1453 N ASN A 94 25.680 11.939 3.182 1.00 0.00 N ATOM 1454 CA ASN A 94 26.748 11.560 4.100 1.00 0.00 C ATOM 1455 C ASN A 94 26.175 11.058 5.422 1.00 0.00 C ATOM 1456 O ASN A 94 26.551 11.535 6.493 1.00 0.00 O ATOM 1457 CB ASN A 94 27.676 12.749 4.353 1.00 0.00 C ATOM 1458 CG ASN A 94 27.834 13.630 3.129 1.00 0.00 C ATOM 1459 OD1 ASN A 94 27.309 14.743 3.079 1.00 0.00 O ATOM 1460 ND2 ASN A 94 28.560 13.135 2.133 1.00 0.00 N ATOM 0 H ASN A 94 25.674 11.418 2.305 1.00 0.00 H new ATOM 0 HA ASN A 94 27.319 10.753 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 94 27.283 13.344 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 94 28.655 12.383 4.663 1.00 0.00 H new ATOM 0 HD21 ASN A 94 28.701 13.682 1.284 1.00 0.00 H new ATOM 0 HD22 ASN A 94 28.977 12.208 2.217 1.00 0.00 H new ATOM 1467 N GLN A 95 25.265 10.093 5.338 1.00 0.00 N ATOM 1468 CA GLN A 95 24.641 9.526 6.528 1.00 0.00 C ATOM 1469 C GLN A 95 25.009 8.054 6.687 1.00 0.00 C ATOM 1470 O GLN A 95 24.251 7.169 6.293 1.00 0.00 O ATOM 1471 CB GLN A 95 23.121 9.679 6.454 1.00 0.00 C ATOM 1472 CG GLN A 95 22.606 10.953 7.103 1.00 0.00 C ATOM 1473 CD GLN A 95 21.222 11.337 6.618 1.00 0.00 C ATOM 1474 OE1 GLN A 95 20.654 10.682 5.743 1.00 0.00 O ATOM 1475 NE2 GLN A 95 20.670 12.404 7.183 1.00 0.00 N ATOM 0 H GLN A 95 24.943 9.688 4.459 1.00 0.00 H new ATOM 0 HA GLN A 95 25.012 10.070 7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 95 22.813 9.664 5.409 1.00 0.00 H new ATOM 0 HB3 GLN A 95 22.654 8.821 6.937 1.00 0.00 H new ATOM 0 HG2 GLN A 95 22.584 10.822 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 95 23.299 11.768 6.895 1.00 0.00 H new ATOM 0 HE21 GLN A 95 21.176 12.918 7.905 1.00 0.00 H new ATOM 0 HE22 GLN A 95 19.740 12.710 6.896 1.00 0.00 H new ATOM 1484 N ASN A 96 26.178 7.801 7.266 1.00 0.00 N ATOM 1485 CA ASN A 96 26.647 6.436 7.476 1.00 0.00 C ATOM 1486 C ASN A 96 25.801 5.726 8.530 1.00 0.00 C ATOM 1487 O ASN A 96 26.243 5.521 9.659 1.00 0.00 O ATOM 1488 CB ASN A 96 28.116 6.439 7.904 1.00 0.00 C ATOM 1489 CG ASN A 96 28.308 6.974 9.310 1.00 0.00 C ATOM 1490 OD1 ASN A 96 28.458 6.207 10.262 1.00 0.00 O ATOM 1491 ND2 ASN A 96 28.305 8.294 9.446 1.00 0.00 N ATOM 0 H ASN A 96 26.818 8.523 7.598 1.00 0.00 H new ATOM 0 HA ASN A 96 26.551 5.897 6.534 1.00 0.00 H new ATOM 0 HB2 ASN A 96 28.510 5.424 7.847 1.00 0.00 H new ATOM 0 HB3 ASN A 96 28.694 7.045 7.206 1.00 0.00 H new ATOM 0 HD21 ASN A 96 28.430 8.712 10.368 1.00 0.00 H new ATOM 0 HD22 ASN A 96 28.177 8.891 8.629 1.00 0.00 H new