USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 860 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 57 HIS : no HD1:sc= -5.01! C(o=-5.2!,f=-9.4!) USER MOD Set 1.2: A 74 SER OG : rot 119:sc= -0.662! USER MOD Set 1.3: A 78 THR OG1 : rot 91:sc= 0.477 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 17:sc= 0.0924 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 8 MET CE :methyl 154:sc= 0 (180deg=-0.115) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 12 SER OG : rot 65:sc= 0.808 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 110:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.341 K(o=-0.34,f=-0.91) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 68:sc= 1.29 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.271 K(o=-0.27,f=-2.1!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 75 SER OG : rot 50:sc= 0.905 USER MOD Single : A 76 ASN : amide:sc=-0.00246 K(o=-0.0025,f=-3.8!) USER MOD Single : A 81 ASN : amide:sc= -1.88 K(o=-1.9,f=-6.5!) USER MOD Single : A 82 SER OG : rot 9:sc= 0.171 USER MOD Single : A 83 ASN : amide:sc=-0.00577 X(o=-0.0058,f=0.0055) USER MOD Single : A 89 THR OG1 : rot -25:sc= 0.0106 USER MOD Single : A 90 SER OG : rot 30:sc= 0.22 USER MOD Single : A 92 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 70:sc= -0.747 USER MOD Single : A 106 SER OG : rot 39:sc= 0.388 USER MOD Single : A 110 ASN : amide:sc= -3.68! K(o=-3.7!,f=-1.1) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= -0.289 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.741 -1.451 -15.221 1.00 0.00 N ATOM 2 CA GLY A 1 -31.557 -1.416 -13.780 1.00 0.00 C ATOM 3 C GLY A 1 -31.580 -2.828 -13.190 1.00 0.00 C ATOM 4 O GLY A 1 -32.526 -3.200 -12.498 1.00 0.00 O ATOM 0 H1 GLY A 1 -31.722 -0.482 -15.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.976 -2.006 -15.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.657 -1.890 -15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.609 -0.934 -13.542 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.343 -0.814 -13.324 1.00 0.00 H new ATOM 8 N SER A 2 -30.527 -3.575 -13.486 1.00 0.00 N ATOM 9 CA SER A 2 -30.414 -4.938 -12.994 1.00 0.00 C ATOM 10 C SER A 2 -28.968 -5.229 -12.587 1.00 0.00 C ATOM 11 O SER A 2 -28.144 -5.588 -13.426 1.00 0.00 O ATOM 12 CB SER A 2 -30.882 -5.944 -14.047 1.00 0.00 C ATOM 13 OG SER A 2 -31.604 -7.027 -13.467 1.00 0.00 O ATOM 0 H SER A 2 -29.744 -3.263 -14.060 1.00 0.00 H new ATOM 0 HA SER A 2 -31.058 -5.041 -12.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.513 -5.437 -14.777 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.018 -6.332 -14.587 1.00 0.00 H new ATOM 0 HG SER A 2 -31.887 -7.646 -14.172 1.00 0.00 H new ATOM 19 N SER A 3 -28.705 -5.063 -11.299 1.00 0.00 N ATOM 20 CA SER A 3 -27.373 -5.304 -10.770 1.00 0.00 C ATOM 21 C SER A 3 -27.381 -5.162 -9.247 1.00 0.00 C ATOM 22 O SER A 3 -27.882 -4.172 -8.715 1.00 0.00 O ATOM 23 CB SER A 3 -26.354 -4.345 -11.388 1.00 0.00 C ATOM 24 OG SER A 3 -26.543 -3.005 -10.941 1.00 0.00 O ATOM 0 H SER A 3 -29.392 -4.765 -10.606 1.00 0.00 H new ATOM 0 HA SER A 3 -27.080 -6.321 -11.031 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.346 -4.673 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.436 -4.380 -12.474 1.00 0.00 H new ATOM 0 HG SER A 3 -27.101 -3.005 -10.135 1.00 0.00 H new ATOM 30 N GLY A 4 -26.821 -6.165 -8.588 1.00 0.00 N ATOM 31 CA GLY A 4 -26.757 -6.164 -7.136 1.00 0.00 C ATOM 32 C GLY A 4 -26.253 -7.508 -6.608 1.00 0.00 C ATOM 33 O GLY A 4 -27.000 -8.249 -5.971 1.00 0.00 O ATOM 0 H GLY A 4 -26.407 -6.984 -9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.096 -5.366 -6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.745 -5.955 -6.725 1.00 0.00 H new ATOM 37 N SER A 5 -24.988 -7.783 -6.893 1.00 0.00 N ATOM 38 CA SER A 5 -24.375 -9.025 -6.455 1.00 0.00 C ATOM 39 C SER A 5 -23.372 -8.747 -5.334 1.00 0.00 C ATOM 40 O SER A 5 -22.931 -7.612 -5.158 1.00 0.00 O ATOM 41 CB SER A 5 -23.685 -9.739 -7.619 1.00 0.00 C ATOM 42 OG SER A 5 -24.622 -10.235 -8.572 1.00 0.00 O ATOM 0 H SER A 5 -24.371 -7.166 -7.422 1.00 0.00 H new ATOM 0 HA SER A 5 -25.161 -9.679 -6.077 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.998 -9.050 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.087 -10.565 -7.234 1.00 0.00 H new ATOM 0 HG SER A 5 -24.142 -10.682 -9.300 1.00 0.00 H new ATOM 48 N SER A 6 -23.040 -9.802 -4.605 1.00 0.00 N ATOM 49 CA SER A 6 -22.097 -9.686 -3.505 1.00 0.00 C ATOM 50 C SER A 6 -21.073 -10.820 -3.572 1.00 0.00 C ATOM 51 O SER A 6 -21.421 -11.957 -3.889 1.00 0.00 O ATOM 52 CB SER A 6 -22.819 -9.701 -2.157 1.00 0.00 C ATOM 53 OG SER A 6 -23.603 -10.878 -1.983 1.00 0.00 O ATOM 0 H SER A 6 -23.407 -10.742 -4.754 1.00 0.00 H new ATOM 0 HA SER A 6 -21.579 -8.732 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.086 -9.632 -1.353 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.461 -8.823 -2.080 1.00 0.00 H new ATOM 0 HG SER A 6 -24.046 -10.850 -1.109 1.00 0.00 H new ATOM 59 N GLY A 7 -19.831 -10.472 -3.268 1.00 0.00 N ATOM 60 CA GLY A 7 -18.754 -11.448 -3.289 1.00 0.00 C ATOM 61 C GLY A 7 -17.429 -10.810 -2.869 1.00 0.00 C ATOM 62 O GLY A 7 -17.199 -10.572 -1.684 1.00 0.00 O ATOM 0 H GLY A 7 -19.546 -9.528 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.993 -12.273 -2.618 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.658 -11.868 -4.290 1.00 0.00 H new ATOM 66 N MET A 8 -16.592 -10.551 -3.862 1.00 0.00 N ATOM 67 CA MET A 8 -15.295 -9.946 -3.610 1.00 0.00 C ATOM 68 C MET A 8 -14.389 -10.896 -2.825 1.00 0.00 C ATOM 69 O MET A 8 -14.415 -10.910 -1.595 1.00 0.00 O ATOM 70 CB MET A 8 -15.482 -8.649 -2.820 1.00 0.00 C ATOM 71 CG MET A 8 -14.198 -7.816 -2.820 1.00 0.00 C ATOM 72 SD MET A 8 -14.029 -6.957 -4.376 1.00 0.00 S ATOM 73 CE MET A 8 -13.322 -5.421 -3.805 1.00 0.00 C ATOM 0 H MET A 8 -16.787 -10.749 -4.843 1.00 0.00 H new ATOM 0 HA MET A 8 -14.822 -9.733 -4.569 1.00 0.00 H new ATOM 0 HB2 MET A 8 -16.296 -8.069 -3.254 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.769 -8.882 -1.794 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.220 -7.099 -2.000 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.335 -8.462 -2.656 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.740 -4.968 -4.607 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.120 -4.741 -3.508 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.673 -5.614 -2.951 1.00 0.00 H new ATOM 83 N VAL A 9 -13.610 -11.669 -3.568 1.00 0.00 N ATOM 84 CA VAL A 9 -12.698 -12.620 -2.956 1.00 0.00 C ATOM 85 C VAL A 9 -11.374 -11.921 -2.642 1.00 0.00 C ATOM 86 O VAL A 9 -10.443 -12.546 -2.136 1.00 0.00 O ATOM 87 CB VAL A 9 -12.530 -13.841 -3.864 1.00 0.00 C ATOM 88 CG1 VAL A 9 -13.886 -14.461 -4.205 1.00 0.00 C ATOM 89 CG2 VAL A 9 -11.757 -13.477 -5.134 1.00 0.00 C ATOM 0 H VAL A 9 -13.592 -11.656 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.103 -12.986 -2.013 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.949 -14.586 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.738 -15.326 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.384 -14.774 -3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.503 -13.725 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.651 -14.362 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.299 -12.706 -5.682 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.769 -13.104 -4.864 1.00 0.00 H new ATOM 99 N THR A 10 -11.331 -10.635 -2.957 1.00 0.00 N ATOM 100 CA THR A 10 -10.136 -9.845 -2.714 1.00 0.00 C ATOM 101 C THR A 10 -10.505 -8.501 -2.083 1.00 0.00 C ATOM 102 O THR A 10 -11.174 -7.679 -2.708 1.00 0.00 O ATOM 103 CB THR A 10 -9.384 -9.707 -4.039 1.00 0.00 C ATOM 104 OG1 THR A 10 -9.544 -10.978 -4.663 1.00 0.00 O ATOM 105 CG2 THR A 10 -7.872 -9.576 -3.843 1.00 0.00 C ATOM 0 H THR A 10 -12.104 -10.120 -3.378 1.00 0.00 H new ATOM 0 HA THR A 10 -9.476 -10.335 -1.998 1.00 0.00 H new ATOM 0 HB THR A 10 -9.757 -8.837 -4.579 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.088 -10.976 -5.530 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.386 -9.481 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.658 -8.692 -3.242 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.493 -10.462 -3.333 1.00 0.00 H new ATOM 113 N PRO A 11 -10.040 -8.313 -0.818 1.00 0.00 N ATOM 114 CA PRO A 11 -10.314 -7.083 -0.095 1.00 0.00 C ATOM 115 C PRO A 11 -9.450 -5.935 -0.620 1.00 0.00 C ATOM 116 O PRO A 11 -8.296 -6.141 -0.992 1.00 0.00 O ATOM 117 CB PRO A 11 -10.039 -7.414 1.363 1.00 0.00 C ATOM 118 CG PRO A 11 -9.181 -8.669 1.351 1.00 0.00 C ATOM 119 CD PRO A 11 -9.245 -9.264 -0.047 1.00 0.00 C ATOM 0 HA PRO A 11 -11.340 -6.738 -0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.522 -6.592 1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.968 -7.581 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -8.151 -8.430 1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.543 -9.386 2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.249 -9.384 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.708 -10.251 -0.037 1.00 0.00 H new ATOM 127 N SER A 12 -10.042 -4.749 -0.634 1.00 0.00 N ATOM 128 CA SER A 12 -9.341 -3.568 -1.107 1.00 0.00 C ATOM 129 C SER A 12 -8.151 -3.264 -0.193 1.00 0.00 C ATOM 130 O SER A 12 -8.195 -3.547 1.003 1.00 0.00 O ATOM 131 CB SER A 12 -10.279 -2.361 -1.175 1.00 0.00 C ATOM 132 OG SER A 12 -9.584 -1.133 -0.978 1.00 0.00 O ATOM 0 H SER A 12 -11.000 -4.581 -0.325 1.00 0.00 H new ATOM 0 HA SER A 12 -8.976 -3.768 -2.114 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.778 -2.344 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.057 -2.463 -0.418 1.00 0.00 H new ATOM 0 HG SER A 12 -8.960 -0.988 -1.719 1.00 0.00 H new ATOM 138 N LEU A 13 -7.117 -2.693 -0.793 1.00 0.00 N ATOM 139 CA LEU A 13 -5.917 -2.349 -0.048 1.00 0.00 C ATOM 140 C LEU A 13 -6.033 -0.910 0.459 1.00 0.00 C ATOM 141 O LEU A 13 -6.039 0.032 -0.333 1.00 0.00 O ATOM 142 CB LEU A 13 -4.669 -2.604 -0.895 1.00 0.00 C ATOM 143 CG LEU A 13 -3.330 -2.511 -0.161 1.00 0.00 C ATOM 144 CD1 LEU A 13 -3.279 -3.490 1.014 1.00 0.00 C ATOM 145 CD2 LEU A 13 -2.160 -2.713 -1.126 1.00 0.00 C ATOM 0 H LEU A 13 -7.085 -2.460 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.815 -2.989 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.751 -3.597 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.660 -1.889 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.237 -1.507 0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.317 -3.403 1.518 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.079 -3.257 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.405 -4.508 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.220 -2.642 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.236 -3.697 -1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.189 -1.945 -1.899 1.00 0.00 H new ATOM 157 N ARG A 14 -6.121 -0.785 1.775 1.00 0.00 N ATOM 158 CA ARG A 14 -6.236 0.523 2.396 1.00 0.00 C ATOM 159 C ARG A 14 -4.971 0.845 3.194 1.00 0.00 C ATOM 160 O ARG A 14 -4.782 0.335 4.297 1.00 0.00 O ATOM 161 CB ARG A 14 -7.448 0.586 3.328 1.00 0.00 C ATOM 162 CG ARG A 14 -7.578 1.970 3.967 1.00 0.00 C ATOM 163 CD ARG A 14 -8.296 1.887 5.315 1.00 0.00 C ATOM 164 NE ARG A 14 -9.323 2.949 5.408 1.00 0.00 N ATOM 165 CZ ARG A 14 -10.090 3.160 6.486 1.00 0.00 C ATOM 166 NH1 ARG A 14 -9.952 2.384 7.569 1.00 0.00 N ATOM 167 NH2 ARG A 14 -10.996 4.147 6.480 1.00 0.00 N ATOM 0 H ARG A 14 -6.115 -1.568 2.428 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.365 1.257 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.354 0.354 2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.352 -0.170 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.588 2.405 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -8.128 2.633 3.299 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.762 0.908 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.576 1.993 6.127 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.455 3.558 4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.263 1.632 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.536 2.545 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.102 4.737 5.655 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.580 4.308 7.300 1.00 0.00 H new ATOM 181 N LEU A 15 -4.137 1.690 2.605 1.00 0.00 N ATOM 182 CA LEU A 15 -2.895 2.085 3.248 1.00 0.00 C ATOM 183 C LEU A 15 -3.144 3.324 4.111 1.00 0.00 C ATOM 184 O LEU A 15 -3.371 4.414 3.588 1.00 0.00 O ATOM 185 CB LEU A 15 -1.790 2.274 2.207 1.00 0.00 C ATOM 186 CG LEU A 15 -1.320 1.006 1.491 1.00 0.00 C ATOM 187 CD1 LEU A 15 -0.466 1.351 0.269 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.588 0.071 2.455 1.00 0.00 C ATOM 0 H LEU A 15 -4.297 2.112 1.690 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.543 1.297 3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.142 2.982 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.930 2.731 2.697 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.199 0.472 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.145 0.432 -0.222 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.053 1.949 -0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.409 1.918 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.265 -0.822 1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.282 0.582 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.259 -0.214 3.265 1.00 0.00 H new ATOM 200 N VAL A 16 -3.095 3.114 5.418 1.00 0.00 N ATOM 201 CA VAL A 16 -3.312 4.200 6.359 1.00 0.00 C ATOM 202 C VAL A 16 -1.961 4.714 6.859 1.00 0.00 C ATOM 203 O VAL A 16 -1.098 3.928 7.247 1.00 0.00 O ATOM 204 CB VAL A 16 -4.231 3.735 7.491 1.00 0.00 C ATOM 205 CG1 VAL A 16 -4.470 4.861 8.499 1.00 0.00 C ATOM 206 CG2 VAL A 16 -5.555 3.203 6.939 1.00 0.00 C ATOM 0 H VAL A 16 -2.908 2.208 5.848 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.816 5.034 5.870 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.734 2.917 8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -5.126 4.505 9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.518 5.174 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.937 5.707 7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.189 2.879 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -6.060 3.992 6.381 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.360 2.358 6.278 1.00 0.00 H new ATOM 216 N PHE A 17 -1.819 6.031 6.835 1.00 0.00 N ATOM 217 CA PHE A 17 -0.587 6.660 7.281 1.00 0.00 C ATOM 218 C PHE A 17 -0.610 6.900 8.792 1.00 0.00 C ATOM 219 O PHE A 17 -1.001 7.974 9.247 1.00 0.00 O ATOM 220 CB PHE A 17 -0.487 8.007 6.563 1.00 0.00 C ATOM 221 CG PHE A 17 0.221 7.941 5.209 1.00 0.00 C ATOM 222 CD1 PHE A 17 1.555 7.686 5.151 1.00 0.00 C ATOM 223 CD2 PHE A 17 -0.485 8.136 4.063 1.00 0.00 C ATOM 224 CE1 PHE A 17 2.213 7.624 3.894 1.00 0.00 C ATOM 225 CE2 PHE A 17 0.173 8.074 2.805 1.00 0.00 C ATOM 226 CZ PHE A 17 1.507 7.819 2.748 1.00 0.00 C ATOM 0 H PHE A 17 -2.537 6.680 6.514 1.00 0.00 H new ATOM 0 HA PHE A 17 0.263 6.016 7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.491 8.404 6.417 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.044 8.710 7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.115 7.530 6.061 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.545 8.338 4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.273 7.422 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.387 8.229 1.894 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.007 7.771 1.792 1.00 0.00 H new ATOM 236 N VAL A 18 -0.187 5.882 9.527 1.00 0.00 N ATOM 237 CA VAL A 18 -0.154 5.969 10.977 1.00 0.00 C ATOM 238 C VAL A 18 0.967 6.920 11.401 1.00 0.00 C ATOM 239 O VAL A 18 0.840 7.629 12.398 1.00 0.00 O ATOM 240 CB VAL A 18 -0.013 4.571 11.582 1.00 0.00 C ATOM 241 CG1 VAL A 18 -1.339 3.810 11.520 1.00 0.00 C ATOM 242 CG2 VAL A 18 1.103 3.785 10.891 1.00 0.00 C ATOM 0 H VAL A 18 0.136 4.993 9.146 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.090 6.380 11.356 1.00 0.00 H new ATOM 0 HB VAL A 18 0.258 4.686 12.631 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.211 2.819 11.957 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.099 4.357 12.078 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.653 3.711 10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.182 2.795 11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.874 3.685 9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.048 4.314 11.010 1.00 0.00 H new ATOM 252 N LYS A 19 2.039 6.905 10.623 1.00 0.00 N ATOM 253 CA LYS A 19 3.181 7.758 10.905 1.00 0.00 C ATOM 254 C LYS A 19 3.663 8.404 9.605 1.00 0.00 C ATOM 255 O LYS A 19 3.064 8.206 8.550 1.00 0.00 O ATOM 256 CB LYS A 19 4.268 6.971 11.641 1.00 0.00 C ATOM 257 CG LYS A 19 3.699 6.276 12.879 1.00 0.00 C ATOM 258 CD LYS A 19 4.592 6.509 14.098 1.00 0.00 C ATOM 259 CE LYS A 19 3.855 6.161 15.393 1.00 0.00 C ATOM 260 NZ LYS A 19 4.460 6.873 16.541 1.00 0.00 N ATOM 0 H LYS A 19 2.141 6.315 9.797 1.00 0.00 H new ATOM 0 HA LYS A 19 2.896 8.568 11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.702 6.229 10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.073 7.644 11.935 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.696 6.651 13.082 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.607 5.206 12.690 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.493 5.902 14.014 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.911 7.551 14.126 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.803 6.431 15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.894 5.085 15.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.948 6.626 17.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.458 6.595 16.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.400 7.899 16.384 1.00 0.00 H new ATOM 274 N GLY A 20 4.742 9.165 9.725 1.00 0.00 N ATOM 275 CA GLY A 20 5.311 9.842 8.572 1.00 0.00 C ATOM 276 C GLY A 20 4.794 11.279 8.469 1.00 0.00 C ATOM 277 O GLY A 20 4.121 11.766 9.376 1.00 0.00 O ATOM 0 H GLY A 20 5.236 9.327 10.602 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.398 9.848 8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.059 9.295 7.664 1.00 0.00 H new ATOM 281 N PRO A 21 5.138 11.933 7.328 1.00 0.00 N ATOM 282 CA PRO A 21 4.716 13.304 7.095 1.00 0.00 C ATOM 283 C PRO A 21 3.233 13.366 6.725 1.00 0.00 C ATOM 284 O PRO A 21 2.609 14.421 6.822 1.00 0.00 O ATOM 285 CB PRO A 21 5.626 13.813 5.989 1.00 0.00 C ATOM 286 CG PRO A 21 6.207 12.575 5.325 1.00 0.00 C ATOM 287 CD PRO A 21 5.934 11.387 6.233 1.00 0.00 C ATOM 0 HA PRO A 21 4.804 13.928 7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.069 14.416 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.416 14.446 6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.754 12.419 4.346 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.279 12.695 5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.395 10.601 5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.862 10.947 6.599 1.00 0.00 H new ATOM 295 N ARG A 22 2.711 12.221 6.308 1.00 0.00 N ATOM 296 CA ARG A 22 1.313 12.132 5.923 1.00 0.00 C ATOM 297 C ARG A 22 0.505 11.431 7.017 1.00 0.00 C ATOM 298 O ARG A 22 -0.622 10.998 6.781 1.00 0.00 O ATOM 299 CB ARG A 22 1.152 11.365 4.609 1.00 0.00 C ATOM 300 CG ARG A 22 0.876 12.321 3.447 1.00 0.00 C ATOM 301 CD ARG A 22 1.979 12.232 2.390 1.00 0.00 C ATOM 302 NE ARG A 22 1.419 12.509 1.049 1.00 0.00 N ATOM 303 CZ ARG A 22 2.150 12.895 -0.006 1.00 0.00 C ATOM 304 NH1 ARG A 22 3.475 13.052 0.119 1.00 0.00 N ATOM 305 NH2 ARG A 22 1.556 13.124 -1.185 1.00 0.00 N ATOM 0 H ARG A 22 3.232 11.347 6.229 1.00 0.00 H new ATOM 0 HA ARG A 22 0.941 13.147 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.056 10.791 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.334 10.650 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.086 12.081 2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.807 13.343 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.770 12.946 2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.431 11.240 2.407 1.00 0.00 H new ATOM 0 HE ARG A 22 0.413 12.399 0.919 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.927 12.878 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.032 13.346 -0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.547 13.005 -1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.112 13.418 -1.988 1.00 0.00 H new ATOM 319 N GLU A 23 1.113 11.340 8.191 1.00 0.00 N ATOM 320 CA GLU A 23 0.464 10.699 9.322 1.00 0.00 C ATOM 321 C GLU A 23 -0.955 11.244 9.499 1.00 0.00 C ATOM 322 O GLU A 23 -1.138 12.427 9.783 1.00 0.00 O ATOM 323 CB GLU A 23 1.284 10.881 10.601 1.00 0.00 C ATOM 324 CG GLU A 23 0.466 10.499 11.836 1.00 0.00 C ATOM 325 CD GLU A 23 1.349 10.452 13.085 1.00 0.00 C ATOM 326 OE1 GLU A 23 2.411 11.111 13.054 1.00 0.00 O ATOM 327 OE2 GLU A 23 0.942 9.760 14.042 1.00 0.00 O ATOM 0 H GLU A 23 2.048 11.699 8.383 1.00 0.00 H new ATOM 0 HA GLU A 23 0.399 9.630 9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.183 10.266 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.611 11.918 10.683 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.338 11.220 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.002 9.527 11.680 1.00 0.00 H new ATOM 334 N GLY A 24 -1.922 10.356 9.324 1.00 0.00 N ATOM 335 CA GLY A 24 -3.319 10.733 9.460 1.00 0.00 C ATOM 336 C GLY A 24 -4.053 10.610 8.124 1.00 0.00 C ATOM 337 O GLY A 24 -5.249 10.888 8.040 1.00 0.00 O ATOM 0 H GLY A 24 -1.766 9.376 9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.800 10.097 10.203 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.389 11.758 9.824 1.00 0.00 H new ATOM 341 N ASP A 25 -3.307 10.193 7.111 1.00 0.00 N ATOM 342 CA ASP A 25 -3.873 10.030 5.783 1.00 0.00 C ATOM 343 C ASP A 25 -4.105 8.542 5.511 1.00 0.00 C ATOM 344 O ASP A 25 -3.581 7.688 6.225 1.00 0.00 O ATOM 345 CB ASP A 25 -2.922 10.563 4.710 1.00 0.00 C ATOM 346 CG ASP A 25 -3.162 12.017 4.297 1.00 0.00 C ATOM 347 OD1 ASP A 25 -3.265 12.858 5.217 1.00 0.00 O ATOM 348 OD2 ASP A 25 -3.236 12.254 3.072 1.00 0.00 O ATOM 0 H ASP A 25 -2.316 9.963 7.184 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.809 10.587 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.899 10.469 5.074 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.006 9.931 3.826 1.00 0.00 H new ATOM 353 N ALA A 26 -4.891 8.277 4.478 1.00 0.00 N ATOM 354 CA ALA A 26 -5.199 6.907 4.104 1.00 0.00 C ATOM 355 C ALA A 26 -5.660 6.873 2.645 1.00 0.00 C ATOM 356 O ALA A 26 -6.206 7.852 2.140 1.00 0.00 O ATOM 357 CB ALA A 26 -6.249 6.340 5.061 1.00 0.00 C ATOM 0 H ALA A 26 -5.324 8.988 3.888 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.312 6.278 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.480 5.312 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.861 6.360 6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.155 6.943 5.006 1.00 0.00 H new ATOM 363 N LEU A 27 -5.421 5.735 2.009 1.00 0.00 N ATOM 364 CA LEU A 27 -5.805 5.561 0.619 1.00 0.00 C ATOM 365 C LEU A 27 -6.547 4.232 0.462 1.00 0.00 C ATOM 366 O LEU A 27 -6.608 3.437 1.399 1.00 0.00 O ATOM 367 CB LEU A 27 -4.585 5.696 -0.295 1.00 0.00 C ATOM 368 CG LEU A 27 -3.739 6.956 -0.102 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.247 6.637 -0.214 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.165 8.056 -1.076 1.00 0.00 C ATOM 0 H LEU A 27 -4.966 4.925 2.431 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.493 6.349 0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.945 4.826 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.926 5.666 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.912 7.333 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.668 7.550 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.972 5.911 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.037 6.223 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.548 8.941 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.039 7.704 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.212 8.308 -0.905 1.00 0.00 H new ATOM 382 N ASP A 28 -7.091 4.031 -0.729 1.00 0.00 N ATOM 383 CA ASP A 28 -7.826 2.812 -1.021 1.00 0.00 C ATOM 384 C ASP A 28 -7.652 2.458 -2.499 1.00 0.00 C ATOM 385 O ASP A 28 -7.739 3.328 -3.364 1.00 0.00 O ATOM 386 CB ASP A 28 -9.321 2.993 -0.751 1.00 0.00 C ATOM 387 CG ASP A 28 -10.014 1.786 -0.114 1.00 0.00 C ATOM 388 OD1 ASP A 28 -9.416 1.219 0.826 1.00 0.00 O ATOM 389 OD2 ASP A 28 -11.125 1.457 -0.582 1.00 0.00 O ATOM 0 H ASP A 28 -7.037 4.692 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.436 2.021 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.455 3.856 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.820 3.224 -1.692 1.00 0.00 H new ATOM 394 N TYR A 29 -7.409 1.179 -2.743 1.00 0.00 N ATOM 395 CA TYR A 29 -7.222 0.699 -4.102 1.00 0.00 C ATOM 396 C TYR A 29 -7.910 -0.653 -4.306 1.00 0.00 C ATOM 397 O TYR A 29 -8.093 -1.410 -3.354 1.00 0.00 O ATOM 398 CB TYR A 29 -5.713 0.522 -4.282 1.00 0.00 C ATOM 399 CG TYR A 29 -4.914 1.819 -4.146 1.00 0.00 C ATOM 400 CD1 TYR A 29 -4.854 2.707 -5.200 1.00 0.00 C ATOM 401 CD2 TYR A 29 -4.252 2.100 -2.968 1.00 0.00 C ATOM 402 CE1 TYR A 29 -4.102 3.928 -5.071 1.00 0.00 C ATOM 403 CE2 TYR A 29 -3.499 3.321 -2.839 1.00 0.00 C ATOM 404 CZ TYR A 29 -3.461 4.175 -3.897 1.00 0.00 C ATOM 405 OH TYR A 29 -2.751 5.328 -3.775 1.00 0.00 O ATOM 0 H TYR A 29 -7.337 0.460 -2.023 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.650 1.400 -4.819 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.351 -0.195 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.523 0.091 -5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.371 2.486 -6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.299 1.404 -2.143 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.048 4.632 -5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.976 3.553 -1.923 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.208 5.929 -3.150 1.00 0.00 H new ATOM 415 N LYS A 30 -8.274 -0.914 -5.553 1.00 0.00 N ATOM 416 CA LYS A 30 -8.938 -2.160 -5.894 1.00 0.00 C ATOM 417 C LYS A 30 -7.907 -3.290 -5.924 1.00 0.00 C ATOM 418 O LYS A 30 -6.704 -3.037 -5.968 1.00 0.00 O ATOM 419 CB LYS A 30 -9.723 -2.010 -7.198 1.00 0.00 C ATOM 420 CG LYS A 30 -11.175 -1.614 -6.920 1.00 0.00 C ATOM 421 CD LYS A 30 -11.460 -0.193 -7.412 1.00 0.00 C ATOM 422 CE LYS A 30 -12.825 0.293 -6.922 1.00 0.00 C ATOM 423 NZ LYS A 30 -13.606 0.862 -8.043 1.00 0.00 N ATOM 0 H LYS A 30 -8.121 -0.283 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.675 -2.419 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.250 -1.255 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.698 -2.948 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.848 -2.315 -7.414 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.375 -1.679 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.681 0.482 -7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.431 -0.169 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.373 -0.536 -6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.692 1.046 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.530 1.187 -7.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.089 1.666 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.749 0.134 -8.772 1.00 0.00 H new ATOM 437 N PRO A 31 -8.429 -4.546 -5.898 1.00 0.00 N ATOM 438 CA PRO A 31 -7.568 -5.716 -5.922 1.00 0.00 C ATOM 439 C PRO A 31 -6.995 -5.946 -7.321 1.00 0.00 C ATOM 440 O PRO A 31 -7.733 -5.952 -8.305 1.00 0.00 O ATOM 441 CB PRO A 31 -8.446 -6.860 -5.443 1.00 0.00 C ATOM 442 CG PRO A 31 -9.880 -6.385 -5.614 1.00 0.00 C ATOM 443 CD PRO A 31 -9.849 -4.883 -5.845 1.00 0.00 C ATOM 0 HA PRO A 31 -6.693 -5.608 -5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.262 -7.763 -6.024 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.237 -7.103 -4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.352 -6.891 -6.456 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.469 -6.623 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.355 -4.614 -6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.353 -4.348 -5.040 1.00 0.00 H new ATOM 451 N GLY A 32 -5.683 -6.130 -7.366 1.00 0.00 N ATOM 452 CA GLY A 32 -5.003 -6.360 -8.629 1.00 0.00 C ATOM 453 C GLY A 32 -4.376 -5.068 -9.157 1.00 0.00 C ATOM 454 O GLY A 32 -3.861 -5.036 -10.274 1.00 0.00 O ATOM 0 H GLY A 32 -5.074 -6.124 -6.548 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.229 -7.116 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.710 -6.751 -9.361 1.00 0.00 H new ATOM 458 N SER A 33 -4.439 -4.036 -8.330 1.00 0.00 N ATOM 459 CA SER A 33 -3.884 -2.745 -8.700 1.00 0.00 C ATOM 460 C SER A 33 -2.595 -2.486 -7.917 1.00 0.00 C ATOM 461 O SER A 33 -2.638 -2.198 -6.722 1.00 0.00 O ATOM 462 CB SER A 33 -4.892 -1.620 -8.450 1.00 0.00 C ATOM 463 OG SER A 33 -5.654 -1.319 -9.616 1.00 0.00 O ATOM 0 H SER A 33 -4.866 -4.067 -7.404 1.00 0.00 H new ATOM 0 HA SER A 33 -3.657 -2.763 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.564 -1.908 -7.642 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.363 -0.725 -8.121 1.00 0.00 H new ATOM 0 HG SER A 33 -6.287 -0.598 -9.416 1.00 0.00 H new ATOM 469 N THR A 34 -1.480 -2.598 -8.623 1.00 0.00 N ATOM 470 CA THR A 34 -0.181 -2.380 -8.009 1.00 0.00 C ATOM 471 C THR A 34 -0.073 -0.946 -7.486 1.00 0.00 C ATOM 472 O THR A 34 -0.354 0.006 -8.212 1.00 0.00 O ATOM 473 CB THR A 34 0.894 -2.733 -9.039 1.00 0.00 C ATOM 474 OG1 THR A 34 0.780 -4.146 -9.188 1.00 0.00 O ATOM 475 CG2 THR A 34 2.311 -2.529 -8.500 1.00 0.00 C ATOM 0 H THR A 34 -1.449 -2.837 -9.614 1.00 0.00 H new ATOM 0 HA THR A 34 -0.042 -3.022 -7.139 1.00 0.00 H new ATOM 0 HB THR A 34 0.755 -2.124 -9.933 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.440 -4.460 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.035 -2.794 -9.271 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.446 -1.485 -8.218 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.463 -3.163 -7.626 1.00 0.00 H new ATOM 483 N ILE A 35 0.337 -0.837 -6.231 1.00 0.00 N ATOM 484 CA ILE A 35 0.486 0.464 -5.602 1.00 0.00 C ATOM 485 C ILE A 35 1.963 0.708 -5.288 1.00 0.00 C ATOM 486 O ILE A 35 2.459 0.280 -4.246 1.00 0.00 O ATOM 487 CB ILE A 35 -0.429 0.577 -4.381 1.00 0.00 C ATOM 488 CG1 ILE A 35 -1.897 0.405 -4.778 1.00 0.00 C ATOM 489 CG2 ILE A 35 -0.187 1.890 -3.634 1.00 0.00 C ATOM 490 CD1 ILE A 35 -2.502 -0.836 -4.120 1.00 0.00 C ATOM 0 H ILE A 35 0.571 -1.629 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 35 0.170 1.254 -6.283 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.184 -0.233 -3.695 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.463 1.289 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.977 0.322 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.850 1.945 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.849 1.932 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.388 2.730 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.546 -0.934 -4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.949 -1.721 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.443 -0.738 -3.036 1.00 0.00 H new ATOM 502 N ARG A 36 2.625 1.393 -6.207 1.00 0.00 N ATOM 503 CA ARG A 36 4.036 1.699 -6.042 1.00 0.00 C ATOM 504 C ARG A 36 4.218 2.842 -5.041 1.00 0.00 C ATOM 505 O ARG A 36 3.731 3.950 -5.263 1.00 0.00 O ATOM 506 CB ARG A 36 4.675 2.091 -7.375 1.00 0.00 C ATOM 507 CG ARG A 36 4.544 0.962 -8.399 1.00 0.00 C ATOM 508 CD ARG A 36 3.304 1.157 -9.274 1.00 0.00 C ATOM 509 NE ARG A 36 3.593 0.733 -10.662 1.00 0.00 N ATOM 510 CZ ARG A 36 4.517 1.306 -11.445 1.00 0.00 C ATOM 511 NH1 ARG A 36 5.248 2.329 -10.981 1.00 0.00 N ATOM 512 NH2 ARG A 36 4.711 0.856 -12.693 1.00 0.00 N ATOM 0 H ARG A 36 2.211 1.746 -7.070 1.00 0.00 H new ATOM 0 HA ARG A 36 4.528 0.801 -5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.198 2.993 -7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.728 2.328 -7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.435 0.930 -9.026 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.483 0.004 -7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.472 0.578 -8.874 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.000 2.204 -9.260 1.00 0.00 H new ATOM 0 HE ARG A 36 3.055 -0.044 -11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.101 2.672 -10.032 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.951 2.765 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.155 0.077 -13.047 1.00 0.00 H new ATOM 0 HH22 ARG A 36 5.414 1.292 -13.289 1.00 0.00 H new ATOM 526 N VAL A 37 4.920 2.534 -3.960 1.00 0.00 N ATOM 527 CA VAL A 37 5.171 3.522 -2.925 1.00 0.00 C ATOM 528 C VAL A 37 6.612 4.023 -3.044 1.00 0.00 C ATOM 529 O VAL A 37 7.556 3.247 -2.908 1.00 0.00 O ATOM 530 CB VAL A 37 4.855 2.931 -1.549 1.00 0.00 C ATOM 531 CG1 VAL A 37 4.970 3.995 -0.456 1.00 0.00 C ATOM 532 CG2 VAL A 37 3.471 2.279 -1.538 1.00 0.00 C ATOM 0 H VAL A 37 5.323 1.614 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 37 4.515 4.383 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 37 5.592 2.156 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.740 3.549 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.985 4.393 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.267 4.803 -0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.271 1.867 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.715 3.026 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.440 1.479 -2.278 1.00 0.00 H new ATOM 542 N GLY A 38 6.736 5.318 -3.296 1.00 0.00 N ATOM 543 CA GLY A 38 8.045 5.932 -3.434 1.00 0.00 C ATOM 544 C GLY A 38 8.094 7.286 -2.723 1.00 0.00 C ATOM 545 O GLY A 38 7.330 7.529 -1.790 1.00 0.00 O ATOM 0 H GLY A 38 5.951 5.959 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.806 5.271 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.279 6.063 -4.490 1.00 0.00 H new ATOM 549 N ARG A 39 9.001 8.132 -3.190 1.00 0.00 N ATOM 550 CA ARG A 39 9.159 9.454 -2.611 1.00 0.00 C ATOM 551 C ARG A 39 8.656 10.524 -3.582 1.00 0.00 C ATOM 552 O ARG A 39 8.278 11.617 -3.166 1.00 0.00 O ATOM 553 CB ARG A 39 10.624 9.734 -2.269 1.00 0.00 C ATOM 554 CG ARG A 39 10.836 11.211 -1.932 1.00 0.00 C ATOM 555 CD ARG A 39 12.230 11.445 -1.344 1.00 0.00 C ATOM 556 NE ARG A 39 12.840 12.648 -1.952 1.00 0.00 N ATOM 557 CZ ARG A 39 13.415 12.669 -3.162 1.00 0.00 C ATOM 558 NH1 ARG A 39 13.461 11.552 -3.901 1.00 0.00 N ATOM 559 NH2 ARG A 39 13.943 13.807 -3.633 1.00 0.00 N ATOM 0 H ARG A 39 9.634 7.927 -3.963 1.00 0.00 H new ATOM 0 HA ARG A 39 8.571 9.486 -1.694 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.928 9.117 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.257 9.455 -3.111 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.711 11.814 -2.831 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.078 11.538 -1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.162 11.568 -0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.861 10.575 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 39 12.822 13.516 -1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.058 10.686 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.899 11.568 -4.822 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.907 14.657 -3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.381 13.823 -4.554 1.00 0.00 H new ATOM 573 N ILE A 40 8.669 10.170 -4.859 1.00 0.00 N ATOM 574 CA ILE A 40 8.219 11.086 -5.894 1.00 0.00 C ATOM 575 C ILE A 40 6.894 10.585 -6.471 1.00 0.00 C ATOM 576 O ILE A 40 6.766 9.410 -6.811 1.00 0.00 O ATOM 577 CB ILE A 40 9.312 11.285 -6.946 1.00 0.00 C ATOM 578 CG1 ILE A 40 9.859 9.940 -7.430 1.00 0.00 C ATOM 579 CG2 ILE A 40 10.421 12.198 -6.419 1.00 0.00 C ATOM 580 CD1 ILE A 40 10.369 10.042 -8.868 1.00 0.00 C ATOM 0 H ILE A 40 8.984 9.262 -5.200 1.00 0.00 H new ATOM 0 HA ILE A 40 8.031 12.074 -5.473 1.00 0.00 H new ATOM 0 HB ILE A 40 8.869 11.782 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.668 9.615 -6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.077 9.183 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.185 12.323 -7.186 1.00 0.00 H new ATOM 0 HG22 ILE A 40 10.001 13.171 -6.164 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.868 11.752 -5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.752 9.073 -9.188 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.552 10.343 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.167 10.783 -8.919 1.00 0.00 H new ATOM 592 N VAL A 41 5.942 11.502 -6.564 1.00 0.00 N ATOM 593 CA VAL A 41 4.631 11.168 -7.095 1.00 0.00 C ATOM 594 C VAL A 41 4.778 10.684 -8.539 1.00 0.00 C ATOM 595 O VAL A 41 4.066 9.778 -8.970 1.00 0.00 O ATOM 596 CB VAL A 41 3.690 12.366 -6.958 1.00 0.00 C ATOM 597 CG1 VAL A 41 3.242 12.549 -5.507 1.00 0.00 C ATOM 598 CG2 VAL A 41 4.345 13.641 -7.495 1.00 0.00 C ATOM 0 H VAL A 41 6.052 12.476 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 41 4.184 10.354 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 41 2.803 12.166 -7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.574 13.407 -5.438 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.718 11.654 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.114 12.716 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.655 14.478 -7.386 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.256 13.846 -6.933 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.590 13.508 -8.549 1.00 0.00 H new ATOM 608 N ARG A 42 5.706 11.311 -9.247 1.00 0.00 N ATOM 609 CA ARG A 42 5.955 10.956 -10.634 1.00 0.00 C ATOM 610 C ARG A 42 6.739 9.644 -10.714 1.00 0.00 C ATOM 611 O ARG A 42 7.957 9.634 -10.546 1.00 0.00 O ATOM 612 CB ARG A 42 6.741 12.056 -11.351 1.00 0.00 C ATOM 613 CG ARG A 42 6.021 13.402 -11.244 1.00 0.00 C ATOM 614 CD ARG A 42 6.827 14.388 -10.396 1.00 0.00 C ATOM 615 NE ARG A 42 6.739 15.746 -10.978 1.00 0.00 N ATOM 616 CZ ARG A 42 7.274 16.839 -10.419 1.00 0.00 C ATOM 617 NH1 ARG A 42 7.939 16.742 -9.259 1.00 0.00 N ATOM 618 NH2 ARG A 42 7.145 18.031 -11.018 1.00 0.00 N ATOM 0 H ARG A 42 6.294 12.062 -8.886 1.00 0.00 H new ATOM 0 HA ARG A 42 4.989 10.836 -11.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.738 12.137 -10.918 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.870 11.791 -12.400 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.866 13.816 -12.240 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.035 13.257 -10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.448 14.396 -9.374 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.869 14.071 -10.347 1.00 0.00 H new ATOM 0 HE ARG A 42 6.239 15.856 -11.860 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.038 15.835 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.346 17.575 -8.834 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.639 18.106 -11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.553 18.863 -10.591 1.00 0.00 H new ATOM 632 N GLY A 43 6.008 8.570 -10.970 1.00 0.00 N ATOM 633 CA GLY A 43 6.619 7.256 -11.074 1.00 0.00 C ATOM 634 C GLY A 43 5.854 6.227 -10.239 1.00 0.00 C ATOM 635 O GLY A 43 5.382 5.221 -10.767 1.00 0.00 O ATOM 0 H GLY A 43 4.998 8.583 -11.109 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.637 6.941 -12.117 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.655 7.305 -10.737 1.00 0.00 H new ATOM 639 N ASN A 44 5.754 6.515 -8.950 1.00 0.00 N ATOM 640 CA ASN A 44 5.054 5.627 -8.037 1.00 0.00 C ATOM 641 C ASN A 44 3.692 6.233 -7.687 1.00 0.00 C ATOM 642 O ASN A 44 3.506 7.445 -7.781 1.00 0.00 O ATOM 643 CB ASN A 44 5.838 5.445 -6.736 1.00 0.00 C ATOM 644 CG ASN A 44 7.344 5.554 -6.983 1.00 0.00 C ATOM 645 OD1 ASN A 44 8.021 4.585 -7.282 1.00 0.00 O ATOM 646 ND2 ASN A 44 7.827 6.785 -6.843 1.00 0.00 N ATOM 0 H ASN A 44 6.146 7.351 -8.516 1.00 0.00 H new ATOM 0 HA ASN A 44 4.940 4.660 -8.528 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.529 6.200 -6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.607 4.473 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.821 6.962 -6.988 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.204 7.552 -6.591 1.00 0.00 H new ATOM 653 N GLU A 45 2.776 5.361 -7.293 1.00 0.00 N ATOM 654 CA GLU A 45 1.438 5.794 -6.929 1.00 0.00 C ATOM 655 C GLU A 45 1.489 6.691 -5.690 1.00 0.00 C ATOM 656 O GLU A 45 1.098 7.856 -5.747 1.00 0.00 O ATOM 657 CB GLU A 45 0.517 4.594 -6.700 1.00 0.00 C ATOM 658 CG GLU A 45 0.181 3.901 -8.021 1.00 0.00 C ATOM 659 CD GLU A 45 -0.312 4.910 -9.060 1.00 0.00 C ATOM 660 OE1 GLU A 45 -0.908 5.921 -8.631 1.00 0.00 O ATOM 661 OE2 GLU A 45 -0.082 4.647 -10.260 1.00 0.00 O ATOM 0 H GLU A 45 2.934 4.356 -7.218 1.00 0.00 H new ATOM 0 HA GLU A 45 1.027 6.373 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.998 3.885 -6.026 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.401 4.923 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.063 3.385 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.584 3.143 -7.854 1.00 0.00 H new ATOM 668 N ILE A 46 1.974 6.114 -4.601 1.00 0.00 N ATOM 669 CA ILE A 46 2.081 6.847 -3.350 1.00 0.00 C ATOM 670 C ILE A 46 3.478 7.460 -3.242 1.00 0.00 C ATOM 671 O ILE A 46 4.472 6.810 -3.562 1.00 0.00 O ATOM 672 CB ILE A 46 1.710 5.948 -2.169 1.00 0.00 C ATOM 673 CG1 ILE A 46 0.322 5.333 -2.362 1.00 0.00 C ATOM 674 CG2 ILE A 46 1.822 6.708 -0.846 1.00 0.00 C ATOM 675 CD1 ILE A 46 0.026 4.297 -1.276 1.00 0.00 C ATOM 0 H ILE A 46 2.297 5.148 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 46 1.368 7.671 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 46 2.423 5.125 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.434 6.118 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.262 4.863 -3.344 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.553 6.047 -0.023 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.846 7.056 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.147 7.564 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.966 3.875 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.770 3.501 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.063 4.775 -0.297 1.00 0.00 H new ATOM 687 N ALA A 47 3.509 8.705 -2.789 1.00 0.00 N ATOM 688 CA ALA A 47 4.769 9.414 -2.634 1.00 0.00 C ATOM 689 C ALA A 47 4.810 10.075 -1.255 1.00 0.00 C ATOM 690 O ALA A 47 3.887 10.796 -0.880 1.00 0.00 O ATOM 691 CB ALA A 47 4.929 10.425 -3.771 1.00 0.00 C ATOM 0 H ALA A 47 2.682 9.241 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 47 5.609 8.722 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.873 10.957 -3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.922 9.901 -4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.105 11.138 -3.742 1.00 0.00 H new ATOM 697 N ILE A 48 5.891 9.806 -0.537 1.00 0.00 N ATOM 698 CA ILE A 48 6.065 10.367 0.792 1.00 0.00 C ATOM 699 C ILE A 48 7.332 11.224 0.817 1.00 0.00 C ATOM 700 O ILE A 48 8.388 10.792 0.359 1.00 0.00 O ATOM 701 CB ILE A 48 6.052 9.258 1.846 1.00 0.00 C ATOM 702 CG1 ILE A 48 4.669 8.611 1.944 1.00 0.00 C ATOM 703 CG2 ILE A 48 6.536 9.783 3.200 1.00 0.00 C ATOM 704 CD1 ILE A 48 4.781 7.086 2.003 1.00 0.00 C ATOM 0 H ILE A 48 6.655 9.207 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 48 5.231 11.023 1.042 1.00 0.00 H new ATOM 0 HB ILE A 48 6.750 8.481 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.155 8.976 2.833 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.065 8.902 1.084 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.517 8.975 3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.554 10.159 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.882 10.589 3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.784 6.650 2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.274 6.722 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.365 6.798 2.877 1.00 0.00 H new ATOM 716 N LYS A 49 7.185 12.425 1.358 1.00 0.00 N ATOM 717 CA LYS A 49 8.304 13.347 1.449 1.00 0.00 C ATOM 718 C LYS A 49 8.879 13.306 2.866 1.00 0.00 C ATOM 719 O LYS A 49 8.808 14.293 3.597 1.00 0.00 O ATOM 720 CB LYS A 49 7.883 14.747 0.996 1.00 0.00 C ATOM 721 CG LYS A 49 7.703 14.801 -0.522 1.00 0.00 C ATOM 722 CD LYS A 49 8.759 15.700 -1.168 1.00 0.00 C ATOM 723 CE LYS A 49 9.379 15.024 -2.393 1.00 0.00 C ATOM 724 NZ LYS A 49 9.928 16.038 -3.321 1.00 0.00 N ATOM 0 H LYS A 49 6.308 12.781 1.738 1.00 0.00 H new ATOM 0 HA LYS A 49 9.103 13.045 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.951 15.027 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.635 15.474 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.774 13.795 -0.936 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.707 15.174 -0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.306 16.647 -1.461 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.539 15.931 -0.442 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.170 14.343 -2.079 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.627 14.424 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.345 15.563 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.165 16.671 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.661 16.593 -2.835 1.00 0.00 H new ATOM 738 N ASP A 50 9.435 12.155 3.212 1.00 0.00 N ATOM 739 CA ASP A 50 10.022 11.972 4.528 1.00 0.00 C ATOM 740 C ASP A 50 11.543 11.886 4.396 1.00 0.00 C ATOM 741 O ASP A 50 12.256 11.856 5.398 1.00 0.00 O ATOM 742 CB ASP A 50 9.529 10.677 5.176 1.00 0.00 C ATOM 743 CG ASP A 50 10.305 10.240 6.420 1.00 0.00 C ATOM 744 OD1 ASP A 50 10.669 11.140 7.207 1.00 0.00 O ATOM 745 OD2 ASP A 50 10.518 9.015 6.555 1.00 0.00 O ATOM 0 H ASP A 50 9.491 11.339 2.603 1.00 0.00 H new ATOM 0 HA ASP A 50 9.729 12.819 5.148 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.480 10.800 5.445 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.577 9.877 4.437 1.00 0.00 H new ATOM 750 N ALA A 51 11.996 11.848 3.152 1.00 0.00 N ATOM 751 CA ALA A 51 13.420 11.765 2.876 1.00 0.00 C ATOM 752 C ALA A 51 13.867 10.304 2.956 1.00 0.00 C ATOM 753 O ALA A 51 14.499 9.793 2.033 1.00 0.00 O ATOM 754 CB ALA A 51 14.183 12.663 3.852 1.00 0.00 C ATOM 0 H ALA A 51 11.402 11.873 2.323 1.00 0.00 H new ATOM 0 HA ALA A 51 13.637 12.121 1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 51 15.251 12.601 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 51 13.850 13.694 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 51 13.992 12.335 4.874 1.00 0.00 H new ATOM 760 N GLY A 52 13.522 9.674 4.070 1.00 0.00 N ATOM 761 CA GLY A 52 13.880 8.282 4.283 1.00 0.00 C ATOM 762 C GLY A 52 13.429 7.413 3.107 1.00 0.00 C ATOM 763 O GLY A 52 14.013 6.363 2.847 1.00 0.00 O ATOM 0 H GLY A 52 12.999 10.102 4.834 1.00 0.00 H new ATOM 0 HA2 GLY A 52 14.959 8.196 4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.421 7.921 5.203 1.00 0.00 H new ATOM 767 N ILE A 53 12.393 7.884 2.429 1.00 0.00 N ATOM 768 CA ILE A 53 11.856 7.164 1.287 1.00 0.00 C ATOM 769 C ILE A 53 12.525 7.672 0.008 1.00 0.00 C ATOM 770 O ILE A 53 12.808 8.863 -0.118 1.00 0.00 O ATOM 771 CB ILE A 53 10.329 7.260 1.262 1.00 0.00 C ATOM 772 CG1 ILE A 53 9.732 6.838 2.606 1.00 0.00 C ATOM 773 CG2 ILE A 53 9.748 6.454 0.098 1.00 0.00 C ATOM 774 CD1 ILE A 53 8.537 7.719 2.975 1.00 0.00 C ATOM 0 H ILE A 53 11.911 8.756 2.649 1.00 0.00 H new ATOM 0 HA ILE A 53 12.084 6.101 1.366 1.00 0.00 H new ATOM 0 HB ILE A 53 10.054 8.302 1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.418 5.795 2.557 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.493 6.906 3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.661 6.539 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.138 6.841 -0.843 1.00 0.00 H new ATOM 0 HG23 ILE A 53 10.030 5.407 0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.131 7.398 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.859 8.758 3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 53 7.768 7.629 2.208 1.00 0.00 H new ATOM 786 N SER A 54 12.758 6.745 -0.909 1.00 0.00 N ATOM 787 CA SER A 54 13.388 7.084 -2.173 1.00 0.00 C ATOM 788 C SER A 54 12.381 6.939 -3.316 1.00 0.00 C ATOM 789 O SER A 54 11.371 6.252 -3.173 1.00 0.00 O ATOM 790 CB SER A 54 14.614 6.205 -2.431 1.00 0.00 C ATOM 791 OG SER A 54 15.830 6.884 -2.130 1.00 0.00 O ATOM 0 H SER A 54 12.522 5.759 -0.802 1.00 0.00 H new ATOM 0 HA SER A 54 13.722 8.120 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.545 5.300 -1.827 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.622 5.892 -3.475 1.00 0.00 H new ATOM 0 HG SER A 54 16.589 6.289 -2.306 1.00 0.00 H new ATOM 797 N THR A 55 12.692 7.596 -4.423 1.00 0.00 N ATOM 798 CA THR A 55 11.826 7.549 -5.589 1.00 0.00 C ATOM 799 C THR A 55 11.283 6.133 -5.793 1.00 0.00 C ATOM 800 O THR A 55 10.072 5.918 -5.755 1.00 0.00 O ATOM 801 CB THR A 55 12.619 8.073 -6.788 1.00 0.00 C ATOM 802 OG1 THR A 55 13.740 7.198 -6.872 1.00 0.00 O ATOM 803 CG2 THR A 55 13.237 9.448 -6.525 1.00 0.00 C ATOM 0 H THR A 55 13.532 8.164 -4.538 1.00 0.00 H new ATOM 0 HA THR A 55 10.950 8.184 -5.457 1.00 0.00 H new ATOM 0 HB THR A 55 11.966 8.130 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.308 7.465 -7.625 1.00 0.00 H new ATOM 0 HG21 THR A 55 13.789 9.774 -7.407 1.00 0.00 H new ATOM 0 HG22 THR A 55 12.447 10.166 -6.305 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.916 9.385 -5.675 1.00 0.00 H new ATOM 811 N LYS A 56 12.204 5.204 -6.003 1.00 0.00 N ATOM 812 CA LYS A 56 11.832 3.815 -6.213 1.00 0.00 C ATOM 813 C LYS A 56 12.239 2.993 -4.988 1.00 0.00 C ATOM 814 O LYS A 56 13.182 2.206 -5.050 1.00 0.00 O ATOM 815 CB LYS A 56 12.421 3.295 -7.526 1.00 0.00 C ATOM 816 CG LYS A 56 11.681 3.883 -8.729 1.00 0.00 C ATOM 817 CD LYS A 56 12.461 5.052 -9.334 1.00 0.00 C ATOM 818 CE LYS A 56 11.515 6.058 -9.994 1.00 0.00 C ATOM 819 NZ LYS A 56 11.350 5.748 -11.432 1.00 0.00 N ATOM 0 H LYS A 56 13.207 5.386 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 56 10.751 3.721 -6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.478 3.554 -7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.358 2.207 -7.552 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.534 3.110 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.691 4.221 -8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.041 5.549 -8.556 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.171 4.677 -10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.545 6.034 -9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.909 7.068 -9.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.705 6.440 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.275 5.794 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.954 4.792 -11.538 1.00 0.00 H new ATOM 833 N HIS A 57 11.507 3.204 -3.904 1.00 0.00 N ATOM 834 CA HIS A 57 11.780 2.492 -2.667 1.00 0.00 C ATOM 835 C HIS A 57 11.276 1.052 -2.782 1.00 0.00 C ATOM 836 O HIS A 57 12.067 0.111 -2.765 1.00 0.00 O ATOM 837 CB HIS A 57 11.184 3.235 -1.470 1.00 0.00 C ATOM 838 CG HIS A 57 11.556 2.643 -0.132 1.00 0.00 C ATOM 839 ND1 HIS A 57 12.080 3.398 0.903 1.00 0.00 N ATOM 840 CD2 HIS A 57 11.473 1.362 0.330 1.00 0.00 C ATOM 841 CE1 HIS A 57 12.300 2.597 1.935 1.00 0.00 C ATOM 842 NE2 HIS A 57 11.923 1.335 1.578 1.00 0.00 N ATOM 0 H HIS A 57 10.725 3.858 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 57 12.856 2.451 -2.496 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.513 4.274 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.098 3.241 -1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 57 11.103 0.513 -0.226 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.707 2.891 2.891 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.978 0.508 2.172 1.00 0.00 H new ATOM 850 N LEU A 58 9.962 0.927 -2.896 1.00 0.00 N ATOM 851 CA LEU A 58 9.342 -0.383 -3.013 1.00 0.00 C ATOM 852 C LEU A 58 8.011 -0.247 -3.754 1.00 0.00 C ATOM 853 O LEU A 58 7.537 0.863 -3.990 1.00 0.00 O ATOM 854 CB LEU A 58 9.217 -1.041 -1.638 1.00 0.00 C ATOM 855 CG LEU A 58 8.474 -0.233 -0.572 1.00 0.00 C ATOM 856 CD1 LEU A 58 7.191 0.375 -1.141 1.00 0.00 C ATOM 857 CD2 LEU A 58 8.204 -1.083 0.671 1.00 0.00 C ATOM 0 H LEU A 58 9.309 1.711 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 58 9.969 -1.051 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.709 -1.998 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.219 -1.257 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 58 9.113 0.594 -0.263 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.682 0.944 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.439 1.036 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.537 -0.422 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.675 -0.485 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.594 -1.944 0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.150 -1.426 1.089 1.00 0.00 H new ATOM 869 N ARG A 59 7.444 -1.394 -4.101 1.00 0.00 N ATOM 870 CA ARG A 59 6.176 -1.417 -4.810 1.00 0.00 C ATOM 871 C ARG A 59 5.259 -2.492 -4.223 1.00 0.00 C ATOM 872 O ARG A 59 5.725 -3.555 -3.815 1.00 0.00 O ATOM 873 CB ARG A 59 6.384 -1.693 -6.301 1.00 0.00 C ATOM 874 CG ARG A 59 6.653 -3.178 -6.551 1.00 0.00 C ATOM 875 CD ARG A 59 7.261 -3.398 -7.938 1.00 0.00 C ATOM 876 NE ARG A 59 8.414 -4.322 -7.844 1.00 0.00 N ATOM 877 CZ ARG A 59 9.314 -4.503 -8.820 1.00 0.00 C ATOM 878 NH1 ARG A 59 9.200 -3.824 -9.970 1.00 0.00 N ATOM 879 NH2 ARG A 59 10.327 -5.362 -8.647 1.00 0.00 N ATOM 0 H ARG A 59 7.840 -2.313 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 59 5.713 -0.437 -4.694 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.501 -1.381 -6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.221 -1.101 -6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.330 -3.562 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.723 -3.740 -6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.510 -3.808 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.581 -2.445 -8.359 1.00 0.00 H new ATOM 0 HE ARG A 59 8.531 -4.854 -6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.428 -3.170 -10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.885 -3.961 -10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.414 -5.879 -7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.012 -5.499 -9.390 1.00 0.00 H new ATOM 893 N ILE A 60 3.972 -2.178 -4.198 1.00 0.00 N ATOM 894 CA ILE A 60 2.986 -3.104 -3.667 1.00 0.00 C ATOM 895 C ILE A 60 2.161 -3.680 -4.820 1.00 0.00 C ATOM 896 O ILE A 60 1.822 -2.965 -5.762 1.00 0.00 O ATOM 897 CB ILE A 60 2.142 -2.426 -2.586 1.00 0.00 C ATOM 898 CG1 ILE A 60 2.850 -2.471 -1.230 1.00 0.00 C ATOM 899 CG2 ILE A 60 0.741 -3.036 -2.521 1.00 0.00 C ATOM 900 CD1 ILE A 60 2.182 -1.525 -0.231 1.00 0.00 C ATOM 0 H ILE A 60 3.589 -1.295 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 60 3.478 -3.943 -3.175 1.00 0.00 H new ATOM 0 HB ILE A 60 2.024 -1.376 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.832 -3.489 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.897 -2.195 -1.353 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.162 -2.536 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.244 -2.909 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.817 -4.098 -2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.705 -1.576 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.223 -0.505 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.142 -1.819 -0.092 1.00 0.00 H new ATOM 912 N GLU A 61 1.862 -4.965 -4.707 1.00 0.00 N ATOM 913 CA GLU A 61 1.083 -5.645 -5.728 1.00 0.00 C ATOM 914 C GLU A 61 0.235 -6.753 -5.100 1.00 0.00 C ATOM 915 O GLU A 61 0.437 -7.111 -3.940 1.00 0.00 O ATOM 916 CB GLU A 61 1.988 -6.203 -6.828 1.00 0.00 C ATOM 917 CG GLU A 61 3.070 -7.111 -6.239 1.00 0.00 C ATOM 918 CD GLU A 61 3.006 -8.511 -6.853 1.00 0.00 C ATOM 919 OE1 GLU A 61 2.522 -8.604 -8.002 1.00 0.00 O ATOM 920 OE2 GLU A 61 3.443 -9.455 -6.161 1.00 0.00 O ATOM 0 H GLU A 61 2.145 -5.554 -3.924 1.00 0.00 H new ATOM 0 HA GLU A 61 0.413 -4.919 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.390 -6.763 -7.547 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.454 -5.382 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.053 -6.676 -6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.945 -7.178 -5.158 1.00 0.00 H new ATOM 927 N SER A 62 -0.694 -7.266 -5.893 1.00 0.00 N ATOM 928 CA SER A 62 -1.572 -8.326 -5.429 1.00 0.00 C ATOM 929 C SER A 62 -1.470 -9.535 -6.361 1.00 0.00 C ATOM 930 O SER A 62 -1.320 -9.380 -7.571 1.00 0.00 O ATOM 931 CB SER A 62 -3.021 -7.843 -5.343 1.00 0.00 C ATOM 932 OG SER A 62 -3.949 -8.882 -5.642 1.00 0.00 O ATOM 0 H SER A 62 -0.858 -6.967 -6.854 1.00 0.00 H new ATOM 0 HA SER A 62 -1.255 -8.619 -4.428 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.216 -7.460 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.169 -7.015 -6.036 1.00 0.00 H new ATOM 0 HG SER A 62 -3.923 -9.558 -4.933 1.00 0.00 H new ATOM 938 N ASP A 63 -1.557 -10.713 -5.760 1.00 0.00 N ATOM 939 CA ASP A 63 -1.476 -11.949 -6.521 1.00 0.00 C ATOM 940 C ASP A 63 -2.414 -12.986 -5.902 1.00 0.00 C ATOM 941 O ASP A 63 -2.722 -12.919 -4.713 1.00 0.00 O ATOM 942 CB ASP A 63 -0.057 -12.519 -6.497 1.00 0.00 C ATOM 943 CG ASP A 63 0.140 -13.799 -7.313 1.00 0.00 C ATOM 944 OD1 ASP A 63 -0.122 -13.739 -8.533 1.00 0.00 O ATOM 945 OD2 ASP A 63 0.548 -14.807 -6.697 1.00 0.00 O ATOM 0 H ASP A 63 -1.683 -10.838 -4.756 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.758 -11.730 -7.551 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.630 -11.759 -6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.220 -12.719 -5.462 1.00 0.00 H new ATOM 950 N SER A 64 -2.842 -13.923 -6.736 1.00 0.00 N ATOM 951 CA SER A 64 -3.739 -14.974 -6.284 1.00 0.00 C ATOM 952 C SER A 64 -4.775 -14.398 -5.318 1.00 0.00 C ATOM 953 O SER A 64 -4.841 -14.802 -4.158 1.00 0.00 O ATOM 954 CB SER A 64 -2.963 -16.110 -5.615 1.00 0.00 C ATOM 955 OG SER A 64 -2.729 -17.195 -6.508 1.00 0.00 O ATOM 0 H SER A 64 -2.585 -13.976 -7.722 1.00 0.00 H new ATOM 0 HA SER A 64 -4.252 -15.384 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.009 -15.731 -5.248 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.519 -16.467 -4.748 1.00 0.00 H new ATOM 0 HG SER A 64 -2.230 -17.899 -6.044 1.00 0.00 H new ATOM 961 N GLY A 65 -5.560 -13.462 -5.832 1.00 0.00 N ATOM 962 CA GLY A 65 -6.591 -12.826 -5.029 1.00 0.00 C ATOM 963 C GLY A 65 -6.071 -12.501 -3.627 1.00 0.00 C ATOM 964 O GLY A 65 -6.771 -12.711 -2.637 1.00 0.00 O ATOM 0 H GLY A 65 -5.503 -13.129 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.925 -11.911 -5.518 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.457 -13.483 -4.956 1.00 0.00 H new ATOM 968 N ASN A 66 -4.848 -11.994 -3.587 1.00 0.00 N ATOM 969 CA ASN A 66 -4.226 -11.638 -2.322 1.00 0.00 C ATOM 970 C ASN A 66 -3.264 -10.470 -2.543 1.00 0.00 C ATOM 971 O ASN A 66 -2.957 -10.120 -3.682 1.00 0.00 O ATOM 972 CB ASN A 66 -3.424 -12.810 -1.754 1.00 0.00 C ATOM 973 CG ASN A 66 -4.345 -13.825 -1.071 1.00 0.00 C ATOM 974 OD1 ASN A 66 -5.371 -13.488 -0.505 1.00 0.00 O ATOM 975 ND2 ASN A 66 -3.921 -15.083 -1.157 1.00 0.00 N ATOM 0 H ASN A 66 -4.271 -11.821 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 66 -5.016 -11.369 -1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.870 -13.298 -2.555 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.690 -12.440 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.465 -15.835 -0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.052 -15.296 -1.646 1.00 0.00 H new ATOM 982 N TRP A 67 -2.814 -9.898 -1.436 1.00 0.00 N ATOM 983 CA TRP A 67 -1.892 -8.776 -1.495 1.00 0.00 C ATOM 984 C TRP A 67 -0.524 -9.263 -1.013 1.00 0.00 C ATOM 985 O TRP A 67 -0.440 -10.132 -0.147 1.00 0.00 O ATOM 986 CB TRP A 67 -2.422 -7.588 -0.689 1.00 0.00 C ATOM 987 CG TRP A 67 -3.684 -6.953 -1.274 1.00 0.00 C ATOM 988 CD1 TRP A 67 -4.960 -7.194 -0.942 1.00 0.00 C ATOM 989 CD2 TRP A 67 -3.741 -5.954 -2.315 1.00 0.00 C ATOM 990 NE1 TRP A 67 -5.831 -6.427 -1.689 1.00 0.00 N ATOM 991 CE2 TRP A 67 -5.066 -5.649 -2.550 1.00 0.00 C ATOM 992 CE3 TRP A 67 -2.706 -5.329 -3.033 1.00 0.00 C ATOM 993 CZ2 TRP A 67 -5.479 -4.711 -3.505 1.00 0.00 C ATOM 994 CZ3 TRP A 67 -3.135 -4.394 -3.983 1.00 0.00 C ATOM 995 CH2 TRP A 67 -4.465 -4.076 -4.232 1.00 0.00 C ATOM 0 H TRP A 67 -3.071 -10.190 -0.493 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.792 -8.412 -2.518 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -2.632 -7.917 0.329 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -1.642 -6.829 -0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -5.268 -7.900 -0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -6.849 -6.430 -1.622 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -1.663 -5.552 -2.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.523 -4.490 -3.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -2.380 -3.884 -4.563 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -4.715 -3.342 -4.983 1.00 0.00 H new ATOM 1006 N VAL A 68 0.514 -8.680 -1.594 1.00 0.00 N ATOM 1007 CA VAL A 68 1.875 -9.043 -1.235 1.00 0.00 C ATOM 1008 C VAL A 68 2.751 -7.789 -1.239 1.00 0.00 C ATOM 1009 O VAL A 68 2.518 -6.868 -2.020 1.00 0.00 O ATOM 1010 CB VAL A 68 2.390 -10.136 -2.174 1.00 0.00 C ATOM 1011 CG1 VAL A 68 1.326 -11.212 -2.400 1.00 0.00 C ATOM 1012 CG2 VAL A 68 2.857 -9.540 -3.504 1.00 0.00 C ATOM 0 H VAL A 68 0.440 -7.958 -2.311 1.00 0.00 H new ATOM 0 HA VAL A 68 1.907 -9.458 -0.227 1.00 0.00 H new ATOM 0 HB VAL A 68 3.249 -10.609 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.718 -11.976 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.061 -11.668 -1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.440 -10.759 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.218 -10.338 -4.153 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.024 -9.029 -3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.662 -8.828 -3.321 1.00 0.00 H new ATOM 1022 N ILE A 69 3.741 -7.795 -0.359 1.00 0.00 N ATOM 1023 CA ILE A 69 4.653 -6.669 -0.251 1.00 0.00 C ATOM 1024 C ILE A 69 6.030 -7.082 -0.774 1.00 0.00 C ATOM 1025 O ILE A 69 6.468 -8.211 -0.556 1.00 0.00 O ATOM 1026 CB ILE A 69 4.675 -6.133 1.182 1.00 0.00 C ATOM 1027 CG1 ILE A 69 5.510 -4.854 1.276 1.00 0.00 C ATOM 1028 CG2 ILE A 69 5.158 -7.205 2.161 1.00 0.00 C ATOM 1029 CD1 ILE A 69 4.804 -3.801 2.133 1.00 0.00 C ATOM 0 H ILE A 69 3.932 -8.562 0.286 1.00 0.00 H new ATOM 0 HA ILE A 69 4.311 -5.841 -0.871 1.00 0.00 H new ATOM 0 HB ILE A 69 3.655 -5.874 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.486 -5.083 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.687 -4.456 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.164 -6.798 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.488 -8.064 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.166 -7.518 1.890 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.418 -2.902 2.184 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.839 -3.557 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.651 -4.193 3.138 1.00 0.00 H new ATOM 1041 N GLN A 70 6.674 -6.146 -1.455 1.00 0.00 N ATOM 1042 CA GLN A 70 7.992 -6.398 -2.012 1.00 0.00 C ATOM 1043 C GLN A 70 8.869 -5.150 -1.888 1.00 0.00 C ATOM 1044 O GLN A 70 8.519 -4.089 -2.402 1.00 0.00 O ATOM 1045 CB GLN A 70 7.894 -6.857 -3.468 1.00 0.00 C ATOM 1046 CG GLN A 70 9.283 -7.107 -4.059 1.00 0.00 C ATOM 1047 CD GLN A 70 9.215 -8.104 -5.218 1.00 0.00 C ATOM 1048 OE1 GLN A 70 8.257 -8.154 -5.972 1.00 0.00 O ATOM 1049 NE2 GLN A 70 10.281 -8.892 -5.317 1.00 0.00 N ATOM 0 H GLN A 70 6.307 -5.211 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 70 8.457 -7.203 -1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.301 -7.769 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.375 -6.101 -4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.708 -6.166 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.948 -7.489 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 70 11.049 -8.797 -4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.331 -9.591 -6.058 1.00 0.00 H new ATOM 1058 N ASP A 71 9.990 -5.319 -1.203 1.00 0.00 N ATOM 1059 CA ASP A 71 10.919 -4.220 -1.006 1.00 0.00 C ATOM 1060 C ASP A 71 11.945 -4.214 -2.141 1.00 0.00 C ATOM 1061 O ASP A 71 12.743 -5.142 -2.267 1.00 0.00 O ATOM 1062 CB ASP A 71 11.677 -4.370 0.315 1.00 0.00 C ATOM 1063 CG ASP A 71 11.212 -5.528 1.200 1.00 0.00 C ATOM 1064 OD1 ASP A 71 9.982 -5.744 1.252 1.00 0.00 O ATOM 1065 OD2 ASP A 71 12.097 -6.172 1.804 1.00 0.00 O ATOM 0 H ASP A 71 10.276 -6.201 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 71 10.346 -3.293 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.736 -4.503 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.582 -3.442 0.878 1.00 0.00 H new ATOM 1070 N LEU A 72 11.890 -3.158 -2.939 1.00 0.00 N ATOM 1071 CA LEU A 72 12.804 -3.019 -4.060 1.00 0.00 C ATOM 1072 C LEU A 72 14.187 -2.622 -3.539 1.00 0.00 C ATOM 1073 O LEU A 72 14.741 -1.604 -3.949 1.00 0.00 O ATOM 1074 CB LEU A 72 12.237 -2.048 -5.097 1.00 0.00 C ATOM 1075 CG LEU A 72 10.963 -2.501 -5.814 1.00 0.00 C ATOM 1076 CD1 LEU A 72 10.146 -3.449 -4.934 1.00 0.00 C ATOM 1077 CD2 LEU A 72 10.139 -1.299 -6.281 1.00 0.00 C ATOM 0 H LEU A 72 11.227 -2.391 -2.832 1.00 0.00 H new ATOM 0 HA LEU A 72 12.918 -3.971 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.034 -1.098 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 72 13.005 -1.859 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 72 11.253 -3.058 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.246 -3.756 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.743 -4.329 -4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.865 -2.939 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.239 -1.649 -6.787 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.858 -0.694 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.732 -0.697 -6.970 1.00 0.00 H new ATOM 1089 N GLY A 73 14.705 -3.448 -2.642 1.00 0.00 N ATOM 1090 CA GLY A 73 16.013 -3.197 -2.060 1.00 0.00 C ATOM 1091 C GLY A 73 16.293 -1.695 -1.969 1.00 0.00 C ATOM 1092 O GLY A 73 17.346 -1.229 -2.401 1.00 0.00 O ATOM 0 H GLY A 73 14.243 -4.292 -2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 73 16.064 -3.641 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.782 -3.678 -2.664 1.00 0.00 H new ATOM 1096 N SER A 74 15.331 -0.980 -1.403 1.00 0.00 N ATOM 1097 CA SER A 74 15.461 0.459 -1.250 1.00 0.00 C ATOM 1098 C SER A 74 16.886 0.813 -0.820 1.00 0.00 C ATOM 1099 O SER A 74 17.749 1.060 -1.661 1.00 0.00 O ATOM 1100 CB SER A 74 14.451 0.998 -0.235 1.00 0.00 C ATOM 1101 OG SER A 74 14.961 2.120 0.480 1.00 0.00 O ATOM 0 H SER A 74 14.459 -1.370 -1.045 1.00 0.00 H new ATOM 0 HA SER A 74 15.252 0.926 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 74 13.535 1.283 -0.752 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.188 0.209 0.469 1.00 0.00 H new ATOM 0 HG SER A 74 14.394 2.901 0.310 1.00 0.00 H new ATOM 1107 N SER A 75 17.089 0.827 0.489 1.00 0.00 N ATOM 1108 CA SER A 75 18.395 1.147 1.041 1.00 0.00 C ATOM 1109 C SER A 75 18.380 0.963 2.560 1.00 0.00 C ATOM 1110 O SER A 75 19.171 0.194 3.104 1.00 0.00 O ATOM 1111 CB SER A 75 18.809 2.575 0.683 1.00 0.00 C ATOM 1112 OG SER A 75 19.648 2.615 -0.468 1.00 0.00 O ATOM 0 H SER A 75 16.371 0.622 1.184 1.00 0.00 H new ATOM 0 HA SER A 75 19.127 0.466 0.606 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.918 3.176 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 75 19.331 3.024 1.528 1.00 0.00 H new ATOM 0 HG SER A 75 19.236 2.097 -1.191 1.00 0.00 H new ATOM 1118 N ASN A 76 17.471 1.683 3.202 1.00 0.00 N ATOM 1119 CA ASN A 76 17.343 1.610 4.647 1.00 0.00 C ATOM 1120 C ASN A 76 16.786 0.239 5.037 1.00 0.00 C ATOM 1121 O ASN A 76 17.332 -0.432 5.911 1.00 0.00 O ATOM 1122 CB ASN A 76 16.380 2.677 5.170 1.00 0.00 C ATOM 1123 CG ASN A 76 16.854 4.080 4.782 1.00 0.00 C ATOM 1124 OD1 ASN A 76 17.653 4.266 3.880 1.00 0.00 O ATOM 1125 ND2 ASN A 76 16.317 5.053 5.513 1.00 0.00 N ATOM 0 H ASN A 76 16.816 2.320 2.747 1.00 0.00 H new ATOM 0 HA ASN A 76 18.330 1.771 5.081 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.383 2.501 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 76 16.303 2.602 6.255 1.00 0.00 H new ATOM 0 HD21 ASN A 76 16.569 6.025 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 76 15.653 4.827 6.254 1.00 0.00 H new ATOM 1132 N GLY A 77 15.705 -0.137 4.368 1.00 0.00 N ATOM 1133 CA GLY A 77 15.068 -1.415 4.633 1.00 0.00 C ATOM 1134 C GLY A 77 13.640 -1.220 5.145 1.00 0.00 C ATOM 1135 O GLY A 77 13.402 -0.406 6.036 1.00 0.00 O ATOM 0 H GLY A 77 15.255 0.422 3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 77 15.053 -2.014 3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.650 -1.970 5.369 1.00 0.00 H new ATOM 1139 N THR A 78 12.726 -1.981 4.560 1.00 0.00 N ATOM 1140 CA THR A 78 11.328 -1.902 4.947 1.00 0.00 C ATOM 1141 C THR A 78 11.011 -2.945 6.020 1.00 0.00 C ATOM 1142 O THR A 78 11.426 -4.098 5.912 1.00 0.00 O ATOM 1143 CB THR A 78 10.479 -2.054 3.683 1.00 0.00 C ATOM 1144 OG1 THR A 78 11.126 -1.219 2.727 1.00 0.00 O ATOM 1145 CG2 THR A 78 9.087 -1.436 3.834 1.00 0.00 C ATOM 0 H THR A 78 12.927 -2.655 3.821 1.00 0.00 H new ATOM 0 HA THR A 78 11.097 -0.937 5.398 1.00 0.00 H new ATOM 0 HB THR A 78 10.382 -3.111 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.789 -1.743 2.231 1.00 0.00 H new ATOM 0 HG21 THR A 78 8.526 -1.572 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.559 -1.924 4.653 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.183 -0.371 4.047 1.00 0.00 H new ATOM 1153 N LEU A 79 10.279 -2.502 7.032 1.00 0.00 N ATOM 1154 CA LEU A 79 9.902 -3.383 8.125 1.00 0.00 C ATOM 1155 C LEU A 79 8.392 -3.627 8.079 1.00 0.00 C ATOM 1156 O LEU A 79 7.632 -2.757 7.659 1.00 0.00 O ATOM 1157 CB LEU A 79 10.395 -2.821 9.460 1.00 0.00 C ATOM 1158 CG LEU A 79 11.912 -2.731 9.631 1.00 0.00 C ATOM 1159 CD1 LEU A 79 12.289 -1.610 10.602 1.00 0.00 C ATOM 1160 CD2 LEU A 79 12.497 -4.079 10.056 1.00 0.00 C ATOM 0 H LEU A 79 9.937 -1.545 7.118 1.00 0.00 H new ATOM 0 HA LEU A 79 10.385 -4.354 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 79 9.975 -1.823 9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.995 -3.441 10.262 1.00 0.00 H new ATOM 0 HG LEU A 79 12.350 -2.481 8.665 1.00 0.00 H new ATOM 0 HD11 LEU A 79 13.373 -1.568 10.706 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.924 -0.658 10.218 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.839 -1.805 11.575 1.00 0.00 H new ATOM 0 HD21 LEU A 79 13.577 -3.987 10.170 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.056 -4.384 11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.275 -4.828 9.296 1.00 0.00 H new ATOM 1172 N LEU A 80 8.004 -4.815 8.518 1.00 0.00 N ATOM 1173 CA LEU A 80 6.599 -5.185 8.533 1.00 0.00 C ATOM 1174 C LEU A 80 6.214 -5.653 9.938 1.00 0.00 C ATOM 1175 O LEU A 80 6.674 -6.699 10.395 1.00 0.00 O ATOM 1176 CB LEU A 80 6.304 -6.213 7.440 1.00 0.00 C ATOM 1177 CG LEU A 80 4.834 -6.601 7.263 1.00 0.00 C ATOM 1178 CD1 LEU A 80 3.992 -5.389 6.861 1.00 0.00 C ATOM 1179 CD2 LEU A 80 4.688 -7.755 6.269 1.00 0.00 C ATOM 0 H LEU A 80 8.638 -5.534 8.866 1.00 0.00 H new ATOM 0 HA LEU A 80 5.975 -4.321 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.673 -5.822 6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.874 -7.117 7.655 1.00 0.00 H new ATOM 0 HG LEU A 80 4.455 -6.952 8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.952 -5.692 6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.061 -4.625 7.635 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.362 -4.985 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.634 -8.011 6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.089 -7.454 5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.237 -8.623 6.636 1.00 0.00 H new ATOM 1191 N ASN A 81 5.375 -4.857 10.584 1.00 0.00 N ATOM 1192 CA ASN A 81 4.923 -5.177 11.927 1.00 0.00 C ATOM 1193 C ASN A 81 6.130 -5.233 12.866 1.00 0.00 C ATOM 1194 O ASN A 81 6.421 -4.265 13.568 1.00 0.00 O ATOM 1195 CB ASN A 81 4.231 -6.541 11.965 1.00 0.00 C ATOM 1196 CG ASN A 81 2.818 -6.455 11.385 1.00 0.00 C ATOM 1197 OD1 ASN A 81 2.017 -5.612 11.756 1.00 0.00 O ATOM 1198 ND2 ASN A 81 2.557 -7.370 10.457 1.00 0.00 N ATOM 0 H ASN A 81 4.996 -3.990 10.202 1.00 0.00 H new ATOM 0 HA ASN A 81 4.218 -4.406 12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.817 -7.266 11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.185 -6.901 12.993 1.00 0.00 H new ATOM 0 HD21 ASN A 81 1.641 -7.395 10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.273 -8.047 10.193 1.00 0.00 H new ATOM 1205 N SER A 82 6.800 -6.376 12.850 1.00 0.00 N ATOM 1206 CA SER A 82 7.968 -6.571 13.691 1.00 0.00 C ATOM 1207 C SER A 82 8.957 -7.514 13.003 1.00 0.00 C ATOM 1208 O SER A 82 9.222 -8.609 13.497 1.00 0.00 O ATOM 1209 CB SER A 82 7.573 -7.124 15.062 1.00 0.00 C ATOM 1210 OG SER A 82 6.994 -6.124 15.895 1.00 0.00 O ATOM 0 H SER A 82 6.556 -7.177 12.267 1.00 0.00 H new ATOM 0 HA SER A 82 8.445 -5.603 13.843 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.865 -7.942 14.932 1.00 0.00 H new ATOM 0 HB3 SER A 82 8.453 -7.539 15.553 1.00 0.00 H new ATOM 0 HG SER A 82 6.841 -5.310 15.371 1.00 0.00 H new ATOM 1216 N ASN A 83 9.476 -7.055 11.874 1.00 0.00 N ATOM 1217 CA ASN A 83 10.430 -7.844 11.113 1.00 0.00 C ATOM 1218 C ASN A 83 10.844 -7.068 9.861 1.00 0.00 C ATOM 1219 O ASN A 83 10.046 -6.318 9.300 1.00 0.00 O ATOM 1220 CB ASN A 83 9.814 -9.171 10.665 1.00 0.00 C ATOM 1221 CG ASN A 83 10.799 -10.325 10.858 1.00 0.00 C ATOM 1222 OD1 ASN A 83 11.052 -10.782 11.960 1.00 0.00 O ATOM 1223 ND2 ASN A 83 11.339 -10.770 9.727 1.00 0.00 N ATOM 0 H ASN A 83 9.254 -6.146 11.467 1.00 0.00 H new ATOM 0 HA ASN A 83 11.289 -8.043 11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.905 -9.365 11.235 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.525 -9.106 9.616 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.009 -11.539 9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 83 11.083 -10.342 8.837 1.00 0.00 H new ATOM 1230 N ALA A 84 12.089 -7.274 9.461 1.00 0.00 N ATOM 1231 CA ALA A 84 12.619 -6.603 8.285 1.00 0.00 C ATOM 1232 C ALA A 84 12.310 -7.441 7.043 1.00 0.00 C ATOM 1233 O ALA A 84 12.507 -8.655 7.043 1.00 0.00 O ATOM 1234 CB ALA A 84 14.118 -6.361 8.467 1.00 0.00 C ATOM 0 H ALA A 84 12.747 -7.896 9.930 1.00 0.00 H new ATOM 0 HA ALA A 84 12.146 -5.630 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.515 -5.858 7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.282 -5.737 9.345 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.627 -7.316 8.600 1.00 0.00 H new ATOM 1240 N LEU A 85 11.829 -6.759 6.013 1.00 0.00 N ATOM 1241 CA LEU A 85 11.491 -7.425 4.767 1.00 0.00 C ATOM 1242 C LEU A 85 12.777 -7.840 4.050 1.00 0.00 C ATOM 1243 O LEU A 85 13.873 -7.670 4.584 1.00 0.00 O ATOM 1244 CB LEU A 85 10.573 -6.542 3.920 1.00 0.00 C ATOM 1245 CG LEU A 85 9.229 -6.172 4.551 1.00 0.00 C ATOM 1246 CD1 LEU A 85 8.562 -5.026 3.788 1.00 0.00 C ATOM 1247 CD2 LEU A 85 8.318 -7.397 4.657 1.00 0.00 C ATOM 0 H LEU A 85 11.666 -5.752 6.016 1.00 0.00 H new ATOM 0 HA LEU A 85 10.927 -8.337 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.106 -5.621 3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.381 -7.052 2.976 1.00 0.00 H new ATOM 0 HG LEU A 85 9.413 -5.819 5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.609 -4.783 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.210 -4.150 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.391 -5.328 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.369 -7.107 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.137 -7.803 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.798 -8.155 5.276 1.00 0.00 H new ATOM 1259 N ASP A 86 12.602 -8.377 2.852 1.00 0.00 N ATOM 1260 CA ASP A 86 13.736 -8.818 2.056 1.00 0.00 C ATOM 1261 C ASP A 86 13.455 -8.539 0.578 1.00 0.00 C ATOM 1262 O ASP A 86 12.334 -8.727 0.109 1.00 0.00 O ATOM 1263 CB ASP A 86 13.970 -10.322 2.217 1.00 0.00 C ATOM 1264 CG ASP A 86 15.377 -10.712 2.674 1.00 0.00 C ATOM 1265 OD1 ASP A 86 15.919 -9.979 3.529 1.00 0.00 O ATOM 1266 OD2 ASP A 86 15.878 -11.734 2.159 1.00 0.00 O ATOM 0 H ASP A 86 11.692 -8.517 2.413 1.00 0.00 H new ATOM 0 HA ASP A 86 14.619 -8.277 2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.250 -10.712 2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.765 -10.810 1.264 1.00 0.00 H new ATOM 1271 N PRO A 87 14.521 -8.082 -0.132 1.00 0.00 N ATOM 1272 CA PRO A 87 14.401 -7.775 -1.547 1.00 0.00 C ATOM 1273 C PRO A 87 14.348 -9.055 -2.384 1.00 0.00 C ATOM 1274 O PRO A 87 13.816 -9.054 -3.493 1.00 0.00 O ATOM 1275 CB PRO A 87 15.607 -6.907 -1.866 1.00 0.00 C ATOM 1276 CG PRO A 87 16.600 -7.143 -0.738 1.00 0.00 C ATOM 1277 CD PRO A 87 15.864 -7.847 0.390 1.00 0.00 C ATOM 0 HA PRO A 87 13.476 -7.251 -1.786 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.039 -7.177 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.327 -5.855 -1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.436 -7.750 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.016 -6.197 -0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 87 16.354 -8.783 0.658 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.837 -7.232 1.289 1.00 0.00 H new ATOM 1285 N GLU A 88 14.906 -10.116 -1.820 1.00 0.00 N ATOM 1286 CA GLU A 88 14.929 -11.400 -2.499 1.00 0.00 C ATOM 1287 C GLU A 88 13.834 -12.314 -1.945 1.00 0.00 C ATOM 1288 O GLU A 88 13.980 -13.535 -1.948 1.00 0.00 O ATOM 1289 CB GLU A 88 16.305 -12.058 -2.382 1.00 0.00 C ATOM 1290 CG GLU A 88 17.382 -11.199 -3.046 1.00 0.00 C ATOM 1291 CD GLU A 88 18.651 -12.014 -3.307 1.00 0.00 C ATOM 1292 OE1 GLU A 88 18.582 -12.908 -4.178 1.00 0.00 O ATOM 1293 OE2 GLU A 88 19.660 -11.725 -2.628 1.00 0.00 O ATOM 0 H GLU A 88 15.346 -10.113 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 88 14.733 -11.232 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.552 -12.209 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.282 -13.043 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 88 17.004 -10.798 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.617 -10.347 -2.408 1.00 0.00 H new ATOM 1300 N THR A 89 12.763 -11.687 -1.481 1.00 0.00 N ATOM 1301 CA THR A 89 11.645 -12.429 -0.924 1.00 0.00 C ATOM 1302 C THR A 89 10.364 -11.595 -0.992 1.00 0.00 C ATOM 1303 O THR A 89 10.418 -10.366 -0.981 1.00 0.00 O ATOM 1304 CB THR A 89 12.019 -12.852 0.498 1.00 0.00 C ATOM 1305 OG1 THR A 89 13.186 -13.651 0.326 1.00 0.00 O ATOM 1306 CG2 THR A 89 10.997 -13.811 1.112 1.00 0.00 C ATOM 0 H THR A 89 12.646 -10.674 -1.479 1.00 0.00 H new ATOM 0 HA THR A 89 11.441 -13.329 -1.503 1.00 0.00 H new ATOM 0 HB THR A 89 12.110 -11.967 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.188 -14.037 -0.575 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.310 -14.080 2.121 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.022 -13.326 1.152 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.930 -14.711 0.501 1.00 0.00 H new ATOM 1314 N SER A 90 9.242 -12.296 -1.062 1.00 0.00 N ATOM 1315 CA SER A 90 7.950 -11.635 -1.132 1.00 0.00 C ATOM 1316 C SER A 90 7.039 -12.147 -0.015 1.00 0.00 C ATOM 1317 O SER A 90 6.858 -13.354 0.139 1.00 0.00 O ATOM 1318 CB SER A 90 7.292 -11.854 -2.496 1.00 0.00 C ATOM 1319 OG SER A 90 7.079 -13.236 -2.770 1.00 0.00 O ATOM 0 H SER A 90 9.201 -13.315 -1.072 1.00 0.00 H new ATOM 0 HA SER A 90 8.107 -10.564 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.338 -11.327 -2.527 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.920 -11.423 -3.275 1.00 0.00 H new ATOM 0 HG SER A 90 6.941 -13.719 -1.928 1.00 0.00 H new ATOM 1325 N VAL A 91 6.488 -11.204 0.735 1.00 0.00 N ATOM 1326 CA VAL A 91 5.600 -11.545 1.833 1.00 0.00 C ATOM 1327 C VAL A 91 4.168 -11.152 1.466 1.00 0.00 C ATOM 1328 O VAL A 91 3.956 -10.291 0.614 1.00 0.00 O ATOM 1329 CB VAL A 91 6.089 -10.886 3.125 1.00 0.00 C ATOM 1330 CG1 VAL A 91 5.248 -11.337 4.322 1.00 0.00 C ATOM 1331 CG2 VAL A 91 7.573 -11.172 3.359 1.00 0.00 C ATOM 0 H VAL A 91 6.639 -10.204 0.604 1.00 0.00 H new ATOM 0 HA VAL A 91 5.606 -12.621 2.010 1.00 0.00 H new ATOM 0 HB VAL A 91 5.969 -9.808 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.616 -10.855 5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.206 -11.059 4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.322 -12.419 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 91 7.895 -10.692 4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.728 -12.248 3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.155 -10.780 2.525 1.00 0.00 H new ATOM 1341 N ASN A 92 3.222 -11.801 2.129 1.00 0.00 N ATOM 1342 CA ASN A 92 1.815 -11.530 1.883 1.00 0.00 C ATOM 1343 C ASN A 92 1.306 -10.524 2.917 1.00 0.00 C ATOM 1344 O ASN A 92 1.393 -10.768 4.120 1.00 0.00 O ATOM 1345 CB ASN A 92 0.978 -12.804 2.009 1.00 0.00 C ATOM 1346 CG ASN A 92 1.045 -13.365 3.431 1.00 0.00 C ATOM 1347 OD1 ASN A 92 0.202 -13.099 4.272 1.00 0.00 O ATOM 1348 ND2 ASN A 92 2.093 -14.154 3.653 1.00 0.00 N ATOM 0 H ASN A 92 3.402 -12.514 2.836 1.00 0.00 H new ATOM 0 HA ASN A 92 1.719 -11.135 0.871 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.058 -12.590 1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.338 -13.551 1.302 1.00 0.00 H new ATOM 0 HD21 ASN A 92 2.227 -14.577 4.571 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.762 -14.336 2.905 1.00 0.00 H new ATOM 1355 N LEU A 93 0.785 -9.416 2.412 1.00 0.00 N ATOM 1356 CA LEU A 93 0.262 -8.373 3.277 1.00 0.00 C ATOM 1357 C LEU A 93 -0.854 -8.952 4.149 1.00 0.00 C ATOM 1358 O LEU A 93 -1.454 -9.968 3.803 1.00 0.00 O ATOM 1359 CB LEU A 93 -0.170 -7.159 2.452 1.00 0.00 C ATOM 1360 CG LEU A 93 0.950 -6.214 2.012 1.00 0.00 C ATOM 1361 CD1 LEU A 93 0.420 -5.144 1.055 1.00 0.00 C ATOM 1362 CD2 LEU A 93 1.657 -5.600 3.222 1.00 0.00 C ATOM 0 H LEU A 93 0.714 -9.218 1.414 1.00 0.00 H new ATOM 0 HA LEU A 93 1.039 -8.012 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.688 -7.515 1.562 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.893 -6.587 3.034 1.00 0.00 H new ATOM 0 HG LEU A 93 1.693 -6.796 1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.236 -4.485 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.001 -5.623 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.354 -4.560 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.448 -4.933 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.938 -5.036 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.089 -6.393 3.832 1.00 0.00 H new ATOM 1374 N GLY A 94 -1.098 -8.280 5.265 1.00 0.00 N ATOM 1375 CA GLY A 94 -2.131 -8.715 6.190 1.00 0.00 C ATOM 1376 C GLY A 94 -2.850 -7.517 6.813 1.00 0.00 C ATOM 1377 O GLY A 94 -2.297 -6.419 6.872 1.00 0.00 O ATOM 0 H GLY A 94 -0.598 -7.438 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -2.851 -9.344 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -1.687 -9.326 6.976 1.00 0.00 H new ATOM 1381 N ASP A 95 -4.071 -7.768 7.262 1.00 0.00 N ATOM 1382 CA ASP A 95 -4.871 -6.723 7.878 1.00 0.00 C ATOM 1383 C ASP A 95 -4.278 -6.372 9.244 1.00 0.00 C ATOM 1384 O ASP A 95 -4.130 -7.240 10.103 1.00 0.00 O ATOM 1385 CB ASP A 95 -6.312 -7.188 8.094 1.00 0.00 C ATOM 1386 CG ASP A 95 -7.056 -6.482 9.229 1.00 0.00 C ATOM 1387 OD1 ASP A 95 -7.597 -5.388 8.960 1.00 0.00 O ATOM 1388 OD2 ASP A 95 -7.068 -7.053 10.341 1.00 0.00 O ATOM 0 H ASP A 95 -4.526 -8.680 7.212 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.867 -5.859 7.214 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -6.868 -7.040 7.168 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -6.306 -8.259 8.295 1.00 0.00 H new ATOM 1393 N GLY A 96 -3.954 -5.097 9.403 1.00 0.00 N ATOM 1394 CA GLY A 96 -3.381 -4.620 10.651 1.00 0.00 C ATOM 1395 C GLY A 96 -1.856 -4.743 10.635 1.00 0.00 C ATOM 1396 O GLY A 96 -1.224 -4.810 11.688 1.00 0.00 O ATOM 0 H GLY A 96 -4.077 -4.380 8.689 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.664 -3.580 10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.787 -5.193 11.485 1.00 0.00 H new ATOM 1400 N ASP A 97 -1.308 -4.768 9.429 1.00 0.00 N ATOM 1401 CA ASP A 97 0.131 -4.881 9.262 1.00 0.00 C ATOM 1402 C ASP A 97 0.733 -3.484 9.103 1.00 0.00 C ATOM 1403 O ASP A 97 0.351 -2.738 8.202 1.00 0.00 O ATOM 1404 CB ASP A 97 0.478 -5.691 8.011 1.00 0.00 C ATOM 1405 CG ASP A 97 0.229 -7.196 8.125 1.00 0.00 C ATOM 1406 OD1 ASP A 97 -0.635 -7.568 8.949 1.00 0.00 O ATOM 1407 OD2 ASP A 97 0.908 -7.941 7.386 1.00 0.00 O ATOM 0 H ASP A 97 -1.835 -4.712 8.558 1.00 0.00 H new ATOM 0 HA ASP A 97 0.534 -5.384 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.103 -5.304 7.174 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.529 -5.529 7.772 1.00 0.00 H new ATOM 1412 N VAL A 98 1.663 -3.171 9.993 1.00 0.00 N ATOM 1413 CA VAL A 98 2.322 -1.876 9.963 1.00 0.00 C ATOM 1414 C VAL A 98 3.575 -1.966 9.089 1.00 0.00 C ATOM 1415 O VAL A 98 4.390 -2.872 9.258 1.00 0.00 O ATOM 1416 CB VAL A 98 2.619 -1.407 11.388 1.00 0.00 C ATOM 1417 CG1 VAL A 98 3.693 -0.317 11.394 1.00 0.00 C ATOM 1418 CG2 VAL A 98 1.345 -0.925 12.084 1.00 0.00 C ATOM 0 H VAL A 98 1.976 -3.792 10.739 1.00 0.00 H new ATOM 0 HA VAL A 98 1.669 -1.125 9.518 1.00 0.00 H new ATOM 0 HB VAL A 98 3.004 -2.260 11.947 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.885 -0.001 12.419 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.611 -0.709 10.957 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.348 0.537 10.810 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.585 -0.597 13.096 1.00 0.00 H new ATOM 0 HG22 VAL A 98 0.917 -0.093 11.525 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.624 -1.741 12.128 1.00 0.00 H new ATOM 1428 N ILE A 99 3.690 -1.014 8.175 1.00 0.00 N ATOM 1429 CA ILE A 99 4.830 -0.974 7.275 1.00 0.00 C ATOM 1430 C ILE A 99 5.726 0.208 7.646 1.00 0.00 C ATOM 1431 O ILE A 99 5.360 1.362 7.428 1.00 0.00 O ATOM 1432 CB ILE A 99 4.362 -0.958 5.818 1.00 0.00 C ATOM 1433 CG1 ILE A 99 3.298 -2.030 5.571 1.00 0.00 C ATOM 1434 CG2 ILE A 99 5.547 -1.094 4.860 1.00 0.00 C ATOM 1435 CD1 ILE A 99 2.616 -1.824 4.218 1.00 0.00 C ATOM 0 H ILE A 99 3.012 -0.264 8.038 1.00 0.00 H new ATOM 0 HA ILE A 99 5.432 -1.876 7.382 1.00 0.00 H new ATOM 0 HB ILE A 99 3.897 0.008 5.619 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.758 -3.018 5.604 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.553 -1.998 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.187 -1.080 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.237 -0.264 5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.063 -2.035 5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.865 -2.599 4.068 1.00 0.00 H new ATOM 0 HD12 ILE A 99 2.137 -0.845 4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.360 -1.881 3.423 1.00 0.00 H new ATOM 1447 N LYS A 100 6.884 -0.120 8.201 1.00 0.00 N ATOM 1448 CA LYS A 100 7.836 0.901 8.605 1.00 0.00 C ATOM 1449 C LYS A 100 8.893 1.068 7.511 1.00 0.00 C ATOM 1450 O LYS A 100 9.770 0.220 7.357 1.00 0.00 O ATOM 1451 CB LYS A 100 8.421 0.574 9.981 1.00 0.00 C ATOM 1452 CG LYS A 100 7.550 1.153 11.098 1.00 0.00 C ATOM 1453 CD LYS A 100 7.599 0.268 12.345 1.00 0.00 C ATOM 1454 CE LYS A 100 8.414 0.933 13.457 1.00 0.00 C ATOM 1455 NZ LYS A 100 8.337 0.137 14.703 1.00 0.00 N ATOM 0 H LYS A 100 7.184 -1.078 8.380 1.00 0.00 H new ATOM 0 HA LYS A 100 7.338 1.864 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.500 -0.507 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.431 0.977 10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.892 2.158 11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 100 6.520 1.243 10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 100 6.586 0.074 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.039 -0.697 12.094 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.454 1.031 13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.039 1.940 13.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.895 0.602 15.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.345 0.065 15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 8.716 -0.816 14.530 1.00 0.00 H new ATOM 1469 N LEU A 101 8.775 2.167 6.781 1.00 0.00 N ATOM 1470 CA LEU A 101 9.709 2.456 5.707 1.00 0.00 C ATOM 1471 C LEU A 101 10.318 3.842 5.925 1.00 0.00 C ATOM 1472 O LEU A 101 9.867 4.593 6.788 1.00 0.00 O ATOM 1473 CB LEU A 101 9.029 2.290 4.346 1.00 0.00 C ATOM 1474 CG LEU A 101 8.068 3.408 3.936 1.00 0.00 C ATOM 1475 CD1 LEU A 101 8.040 3.576 2.416 1.00 0.00 C ATOM 1476 CD2 LEU A 101 6.671 3.170 4.513 1.00 0.00 C ATOM 0 H LEU A 101 8.046 2.868 6.912 1.00 0.00 H new ATOM 0 HA LEU A 101 10.532 1.741 5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.803 2.205 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.480 1.349 4.349 1.00 0.00 H new ATOM 0 HG LEU A 101 8.434 4.345 4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.349 4.377 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.039 3.826 2.059 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.711 2.646 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.008 3.979 4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.281 2.222 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.727 3.140 5.601 1.00 0.00 H new ATOM 1488 N GLY A 102 11.334 4.139 5.128 1.00 0.00 N ATOM 1489 CA GLY A 102 12.010 5.422 5.223 1.00 0.00 C ATOM 1490 C GLY A 102 12.707 5.575 6.577 1.00 0.00 C ATOM 1491 O GLY A 102 13.705 4.908 6.844 1.00 0.00 O ATOM 0 H GLY A 102 11.706 3.513 4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.742 5.512 4.421 1.00 0.00 H new ATOM 0 HA3 GLY A 102 11.289 6.228 5.088 1.00 0.00 H new ATOM 1495 N GLU A 103 12.153 6.459 7.395 1.00 0.00 N ATOM 1496 CA GLU A 103 12.709 6.708 8.714 1.00 0.00 C ATOM 1497 C GLU A 103 11.676 6.386 9.795 1.00 0.00 C ATOM 1498 O GLU A 103 11.837 5.426 10.547 1.00 0.00 O ATOM 1499 CB GLU A 103 13.200 8.152 8.838 1.00 0.00 C ATOM 1500 CG GLU A 103 14.263 8.462 7.782 1.00 0.00 C ATOM 1501 CD GLU A 103 15.319 9.422 8.333 1.00 0.00 C ATOM 1502 OE1 GLU A 103 15.602 9.319 9.546 1.00 0.00 O ATOM 1503 OE2 GLU A 103 15.820 10.238 7.529 1.00 0.00 O ATOM 0 H GLU A 103 11.325 7.011 7.170 1.00 0.00 H new ATOM 0 HA GLU A 103 13.569 6.053 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.359 8.837 8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.613 8.315 9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 103 14.740 7.537 7.459 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.791 8.901 6.903 1.00 0.00 H new ATOM 1510 N TYR A 104 10.637 7.207 9.839 1.00 0.00 N ATOM 1511 CA TYR A 104 9.577 7.021 10.816 1.00 0.00 C ATOM 1512 C TYR A 104 8.254 6.673 10.130 1.00 0.00 C ATOM 1513 O TYR A 104 7.409 5.995 10.712 1.00 0.00 O ATOM 1514 CB TYR A 104 9.427 8.363 11.535 1.00 0.00 C ATOM 1515 CG TYR A 104 10.494 8.619 12.602 1.00 0.00 C ATOM 1516 CD1 TYR A 104 11.811 8.800 12.231 1.00 0.00 C ATOM 1517 CD2 TYR A 104 10.138 8.670 13.935 1.00 0.00 C ATOM 1518 CE1 TYR A 104 12.814 9.042 13.235 1.00 0.00 C ATOM 1519 CE2 TYR A 104 11.142 8.912 14.938 1.00 0.00 C ATOM 1520 CZ TYR A 104 12.431 9.086 14.539 1.00 0.00 C ATOM 1521 OH TYR A 104 13.379 9.314 15.487 1.00 0.00 O ATOM 0 H TYR A 104 10.506 8.003 9.214 1.00 0.00 H new ATOM 0 HA TYR A 104 9.821 6.206 11.497 1.00 0.00 H new ATOM 0 HB2 TYR A 104 9.465 9.165 10.798 1.00 0.00 H new ATOM 0 HB3 TYR A 104 8.443 8.406 12.002 1.00 0.00 H new ATOM 0 HD1 TYR A 104 12.089 8.760 11.188 1.00 0.00 H new ATOM 0 HD2 TYR A 104 9.107 8.528 14.225 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.848 9.185 12.959 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.878 8.954 15.984 1.00 0.00 H new ATOM 0 HH TYR A 104 12.961 9.320 16.373 1.00 0.00 H new ATOM 1531 N THR A 105 8.116 7.152 8.903 1.00 0.00 N ATOM 1532 CA THR A 105 6.911 6.900 8.132 1.00 0.00 C ATOM 1533 C THR A 105 6.410 5.475 8.376 1.00 0.00 C ATOM 1534 O THR A 105 7.182 4.521 8.301 1.00 0.00 O ATOM 1535 CB THR A 105 7.220 7.192 6.662 1.00 0.00 C ATOM 1536 OG1 THR A 105 7.130 8.611 6.564 1.00 0.00 O ATOM 1537 CG2 THR A 105 6.126 6.683 5.721 1.00 0.00 C ATOM 0 H THR A 105 8.819 7.714 8.423 1.00 0.00 H new ATOM 0 HA THR A 105 6.098 7.555 8.444 1.00 0.00 H new ATOM 0 HB THR A 105 8.172 6.734 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.882 9.020 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.395 6.916 4.691 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.022 5.604 5.834 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.180 7.166 5.967 1.00 0.00 H new ATOM 1545 N SER A 106 5.120 5.377 8.663 1.00 0.00 N ATOM 1546 CA SER A 106 4.507 4.085 8.918 1.00 0.00 C ATOM 1547 C SER A 106 3.179 3.978 8.166 1.00 0.00 C ATOM 1548 O SER A 106 2.374 4.907 8.184 1.00 0.00 O ATOM 1549 CB SER A 106 4.287 3.866 10.416 1.00 0.00 C ATOM 1550 OG SER A 106 5.501 3.972 11.155 1.00 0.00 O ATOM 0 H SER A 106 4.483 6.171 8.724 1.00 0.00 H new ATOM 0 HA SER A 106 5.184 3.309 8.560 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.571 4.599 10.788 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.849 2.881 10.578 1.00 0.00 H new ATOM 0 HG SER A 106 6.048 4.695 10.783 1.00 0.00 H new ATOM 1556 N ILE A 107 2.991 2.835 7.521 1.00 0.00 N ATOM 1557 CA ILE A 107 1.775 2.595 6.764 1.00 0.00 C ATOM 1558 C ILE A 107 1.055 1.373 7.338 1.00 0.00 C ATOM 1559 O ILE A 107 1.680 0.346 7.599 1.00 0.00 O ATOM 1560 CB ILE A 107 2.087 2.479 5.270 1.00 0.00 C ATOM 1561 CG1 ILE A 107 2.963 3.643 4.802 1.00 0.00 C ATOM 1562 CG2 ILE A 107 0.802 2.361 4.449 1.00 0.00 C ATOM 1563 CD1 ILE A 107 3.334 3.490 3.325 1.00 0.00 C ATOM 0 H ILE A 107 3.661 2.066 7.508 1.00 0.00 H new ATOM 0 HA ILE A 107 1.094 3.441 6.859 1.00 0.00 H new ATOM 0 HB ILE A 107 2.656 1.563 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 107 2.434 4.584 4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.869 3.687 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.052 2.280 3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 107 0.251 1.473 4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.185 3.245 4.609 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.957 4.330 3.017 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.884 2.560 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.426 3.471 2.722 1.00 0.00 H new ATOM 1575 N LEU A 108 -0.249 1.524 7.517 1.00 0.00 N ATOM 1576 CA LEU A 108 -1.060 0.445 8.055 1.00 0.00 C ATOM 1577 C LEU A 108 -1.833 -0.223 6.916 1.00 0.00 C ATOM 1578 O LEU A 108 -2.353 0.456 6.032 1.00 0.00 O ATOM 1579 CB LEU A 108 -1.953 0.960 9.186 1.00 0.00 C ATOM 1580 CG LEU A 108 -2.243 -0.031 10.315 1.00 0.00 C ATOM 1581 CD1 LEU A 108 -2.621 0.702 11.604 1.00 0.00 C ATOM 1582 CD2 LEU A 108 -3.312 -1.042 9.897 1.00 0.00 C ATOM 0 H LEU A 108 -0.764 2.377 7.299 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.427 -0.321 8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.485 1.845 9.617 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.903 1.279 8.756 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.331 -0.592 10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.822 -0.025 12.391 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.798 1.349 11.909 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.512 1.306 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.499 -1.734 10.718 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.234 -0.516 9.649 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.966 -1.598 9.025 1.00 0.00 H new ATOM 1594 N VAL A 109 -1.885 -1.545 6.975 1.00 0.00 N ATOM 1595 CA VAL A 109 -2.586 -2.313 5.959 1.00 0.00 C ATOM 1596 C VAL A 109 -3.943 -2.759 6.509 1.00 0.00 C ATOM 1597 O VAL A 109 -4.006 -3.484 7.501 1.00 0.00 O ATOM 1598 CB VAL A 109 -1.716 -3.482 5.494 1.00 0.00 C ATOM 1599 CG1 VAL A 109 -2.495 -4.405 4.555 1.00 0.00 C ATOM 1600 CG2 VAL A 109 -0.433 -2.980 4.829 1.00 0.00 C ATOM 0 H VAL A 109 -1.453 -2.105 7.710 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.778 -1.698 5.080 1.00 0.00 H new ATOM 0 HB VAL A 109 -1.433 -4.060 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.854 -5.228 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.366 -4.803 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.821 -3.843 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 109 0.167 -3.831 4.508 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.687 -2.368 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.136 -2.383 5.541 1.00 0.00 H new ATOM 1610 N ASN A 110 -4.994 -2.307 5.841 1.00 0.00 N ATOM 1611 CA ASN A 110 -6.345 -2.650 6.250 1.00 0.00 C ATOM 1612 C ASN A 110 -7.117 -3.189 5.044 1.00 0.00 C ATOM 1613 O ASN A 110 -7.149 -2.556 3.990 1.00 0.00 O ATOM 1614 CB ASN A 110 -7.089 -1.422 6.778 1.00 0.00 C ATOM 1615 CG ASN A 110 -7.141 -1.427 8.307 1.00 0.00 C ATOM 1616 OD1 ASN A 110 -8.171 -1.199 8.920 1.00 0.00 O ATOM 1617 ND2 ASN A 110 -5.975 -1.699 8.886 1.00 0.00 N ATOM 0 H ASN A 110 -4.937 -1.706 5.019 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.279 -3.398 7.040 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -6.594 -0.515 6.431 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.102 -1.406 6.376 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.905 -1.726 9.903 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.151 -1.881 8.313 1.00 0.00 H new ATOM 1624 N PHE A 111 -7.719 -4.353 5.240 1.00 0.00 N ATOM 1625 CA PHE A 111 -8.489 -4.984 4.181 1.00 0.00 C ATOM 1626 C PHE A 111 -9.958 -4.561 4.245 1.00 0.00 C ATOM 1627 O PHE A 111 -10.662 -4.892 5.197 1.00 0.00 O ATOM 1628 CB PHE A 111 -8.396 -6.495 4.401 1.00 0.00 C ATOM 1629 CG PHE A 111 -7.017 -7.084 4.097 1.00 0.00 C ATOM 1630 CD1 PHE A 111 -6.303 -6.631 3.031 1.00 0.00 C ATOM 1631 CD2 PHE A 111 -6.504 -8.061 4.893 1.00 0.00 C ATOM 1632 CE1 PHE A 111 -5.023 -7.177 2.750 1.00 0.00 C ATOM 1633 CE2 PHE A 111 -5.224 -8.607 4.611 1.00 0.00 C ATOM 1634 CZ PHE A 111 -4.511 -8.154 3.546 1.00 0.00 C ATOM 0 H PHE A 111 -7.689 -4.875 6.116 1.00 0.00 H new ATOM 0 HA PHE A 111 -8.096 -4.689 3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -8.655 -6.718 5.436 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -9.137 -6.990 3.774 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.710 -5.856 2.399 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.070 -8.421 5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.456 -6.817 1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.817 -9.382 5.243 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.538 -8.570 3.332 1.00 0.00 H new ATOM 1644 N VAL A 112 -10.377 -3.836 3.218 1.00 0.00 N ATOM 1645 CA VAL A 112 -11.750 -3.365 3.145 1.00 0.00 C ATOM 1646 C VAL A 112 -12.590 -4.374 2.360 1.00 0.00 C ATOM 1647 O VAL A 112 -12.353 -4.595 1.173 1.00 0.00 O ATOM 1648 CB VAL A 112 -11.788 -1.958 2.543 1.00 0.00 C ATOM 1649 CG1 VAL A 112 -13.222 -1.425 2.489 1.00 0.00 C ATOM 1650 CG2 VAL A 112 -10.877 -1.005 3.319 1.00 0.00 C ATOM 0 H VAL A 112 -9.790 -3.563 2.430 1.00 0.00 H new ATOM 0 HA VAL A 112 -12.182 -3.290 4.143 1.00 0.00 H new ATOM 0 HB VAL A 112 -11.414 -2.019 1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -13.222 -0.424 2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -13.833 -2.086 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -13.634 -1.385 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.922 -0.012 2.871 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -11.207 -0.950 4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.851 -1.372 3.284 1.00 0.00 H new ATOM 1660 N SER A 113 -13.554 -4.960 3.054 1.00 0.00 N ATOM 1661 CA SER A 113 -14.431 -5.941 2.437 1.00 0.00 C ATOM 1662 C SER A 113 -15.631 -5.240 1.796 1.00 0.00 C ATOM 1663 O SER A 113 -15.956 -4.109 2.152 1.00 0.00 O ATOM 1664 CB SER A 113 -14.905 -6.977 3.458 1.00 0.00 C ATOM 1665 OG SER A 113 -15.505 -8.107 2.833 1.00 0.00 O ATOM 0 H SER A 113 -13.747 -4.774 4.038 1.00 0.00 H new ATOM 0 HA SER A 113 -13.868 -6.464 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 113 -14.059 -7.304 4.062 1.00 0.00 H new ATOM 0 HB3 SER A 113 -15.622 -6.515 4.137 1.00 0.00 H new ATOM 0 HG SER A 113 -15.793 -8.746 3.518 1.00 0.00 H new ATOM 1671 N GLY A 114 -16.255 -5.942 0.861 1.00 0.00 N ATOM 1672 CA GLY A 114 -17.412 -5.401 0.168 1.00 0.00 C ATOM 1673 C GLY A 114 -18.573 -5.167 1.137 1.00 0.00 C ATOM 1674 O GLY A 114 -18.656 -5.815 2.179 1.00 0.00 O ATOM 0 H GLY A 114 -15.981 -6.880 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.144 -4.462 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -17.723 -6.088 -0.619 1.00 0.00 H new ATOM 1678 N PRO A 115 -19.463 -4.215 0.748 1.00 0.00 N ATOM 1679 CA PRO A 115 -20.615 -3.888 1.570 1.00 0.00 C ATOM 1680 C PRO A 115 -21.685 -4.977 1.474 1.00 0.00 C ATOM 1681 O PRO A 115 -22.772 -4.740 0.948 1.00 0.00 O ATOM 1682 CB PRO A 115 -21.093 -2.539 1.059 1.00 0.00 C ATOM 1683 CG PRO A 115 -20.484 -2.378 -0.325 1.00 0.00 C ATOM 1684 CD PRO A 115 -19.396 -3.428 -0.480 1.00 0.00 C ATOM 0 HA PRO A 115 -20.372 -3.834 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -22.181 -2.502 1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -20.774 -1.735 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -21.246 -2.502 -1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -20.069 -1.377 -0.445 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -19.568 -4.050 -1.359 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -18.416 -2.967 -0.602 1.00 0.00 H new ATOM 1692 N SER A 116 -21.341 -6.148 1.989 1.00 0.00 N ATOM 1693 CA SER A 116 -22.258 -7.274 1.968 1.00 0.00 C ATOM 1694 C SER A 116 -23.496 -6.958 2.810 1.00 0.00 C ATOM 1695 O SER A 116 -24.620 -7.026 2.317 1.00 0.00 O ATOM 1696 CB SER A 116 -21.580 -8.547 2.479 1.00 0.00 C ATOM 1697 OG SER A 116 -21.238 -8.453 3.859 1.00 0.00 O ATOM 0 H SER A 116 -20.439 -6.341 2.424 1.00 0.00 H new ATOM 0 HA SER A 116 -22.563 -7.446 0.936 1.00 0.00 H new ATOM 0 HB2 SER A 116 -22.245 -9.397 2.327 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.680 -8.738 1.895 1.00 0.00 H new ATOM 0 HG SER A 116 -20.809 -9.286 4.147 1.00 0.00 H new ATOM 1703 N SER A 117 -23.246 -6.618 4.066 1.00 0.00 N ATOM 1704 CA SER A 117 -24.326 -6.291 4.982 1.00 0.00 C ATOM 1705 C SER A 117 -24.344 -4.785 5.253 1.00 0.00 C ATOM 1706 O SER A 117 -23.314 -4.198 5.581 1.00 0.00 O ATOM 1707 CB SER A 117 -24.189 -7.065 6.294 1.00 0.00 C ATOM 1708 OG SER A 117 -25.277 -6.812 7.179 1.00 0.00 O ATOM 0 H SER A 117 -22.312 -6.562 4.471 1.00 0.00 H new ATOM 0 HA SER A 117 -25.268 -6.581 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 117 -24.135 -8.133 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.254 -6.790 6.781 1.00 0.00 H new ATOM 0 HG SER A 117 -25.154 -7.326 8.004 1.00 0.00 H new ATOM 1714 N GLY A 118 -25.525 -4.204 5.105 1.00 0.00 N ATOM 1715 CA GLY A 118 -25.691 -2.778 5.330 1.00 0.00 C ATOM 1716 C GLY A 118 -26.994 -2.488 6.077 1.00 0.00 C ATOM 1717 O GLY A 118 -27.936 -1.947 5.501 1.00 0.00 O ATOM 0 H GLY A 118 -26.377 -4.695 4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -24.846 -2.396 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -25.691 -2.253 4.375 1.00 0.00 H new TER 1721 GLY A 118