USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 23 MET CE :methyl -176:sc= -0.075 (180deg=-0.108) USER MOD Set 1.2: A 33 TYR OH : rot 180:sc= -0.0457 USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.00751 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 37:sc= 0.234 USER MOD Single : A 21 ASN : amide:sc= -1.01 K(o=-1,f=-7.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.46) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 30 SER OG : rot 180:sc= -0.485 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1 K(o=-1,f=-2.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -9.1 K(o=-9.1,f=-11!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.1 USER MOD Single : A 59 ASN : amide:sc= -0.818 X(o=-0.82,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HD1:sc= -2.28 K(o=-2.3,f=-0.61) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -3.05! C(o=-3.1!,f=-5.6!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.513 -9.210 -21.271 1.00 0.00 N ATOM 2 CA GLY A 1 -8.918 -10.257 -22.081 1.00 0.00 C ATOM 3 C GLY A 1 -7.892 -11.069 -21.316 1.00 0.00 C ATOM 4 O GLY A 1 -8.075 -11.357 -20.134 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.536 -9.170 -21.453 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.348 -9.413 -20.265 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.082 -8.295 -21.515 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.703 -10.920 -22.446 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.445 -9.811 -22.956 1.00 0.00 H new ATOM 8 N SER A 2 -6.810 -11.441 -21.993 1.00 0.00 N ATOM 9 CA SER A 2 -5.754 -12.231 -21.370 1.00 0.00 C ATOM 10 C SER A 2 -5.041 -11.427 -20.287 1.00 0.00 C ATOM 11 O SER A 2 -4.979 -11.842 -19.130 1.00 0.00 O ATOM 12 CB SER A 2 -4.746 -12.693 -22.424 1.00 0.00 C ATOM 13 OG SER A 2 -5.170 -13.896 -23.042 1.00 0.00 O ATOM 0 H SER A 2 -6.642 -11.208 -22.972 1.00 0.00 H new ATOM 0 HA SER A 2 -6.212 -13.105 -20.907 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.623 -11.916 -23.179 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.772 -12.843 -21.959 1.00 0.00 H new ATOM 0 HG SER A 2 -4.510 -14.170 -23.713 1.00 0.00 H new ATOM 19 N SER A 3 -4.504 -10.273 -20.672 1.00 0.00 N ATOM 20 CA SER A 3 -3.792 -9.411 -19.736 1.00 0.00 C ATOM 21 C SER A 3 -4.381 -8.004 -19.737 1.00 0.00 C ATOM 22 O SER A 3 -5.167 -7.649 -20.614 1.00 0.00 O ATOM 23 CB SER A 3 -2.305 -9.355 -20.092 1.00 0.00 C ATOM 24 OG SER A 3 -1.690 -10.619 -19.915 1.00 0.00 O ATOM 0 H SER A 3 -4.549 -9.914 -21.626 1.00 0.00 H new ATOM 0 HA SER A 3 -3.903 -9.831 -18.736 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.187 -9.032 -21.126 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.806 -8.614 -19.468 1.00 0.00 H new ATOM 0 HG SER A 3 -0.741 -10.557 -20.151 1.00 0.00 H new ATOM 30 N GLY A 4 -3.994 -7.206 -18.746 1.00 0.00 N ATOM 31 CA GLY A 4 -4.493 -5.847 -18.650 1.00 0.00 C ATOM 32 C GLY A 4 -3.747 -5.027 -17.616 1.00 0.00 C ATOM 33 O GLY A 4 -2.611 -5.344 -17.265 1.00 0.00 O ATOM 0 H GLY A 4 -3.344 -7.477 -18.008 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.409 -5.363 -19.623 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.553 -5.869 -18.396 1.00 0.00 H new ATOM 37 N SER A 5 -4.386 -3.968 -17.129 1.00 0.00 N ATOM 38 CA SER A 5 -3.773 -3.097 -16.133 1.00 0.00 C ATOM 39 C SER A 5 -4.325 -3.390 -14.742 1.00 0.00 C ATOM 40 O SER A 5 -5.538 -3.402 -14.532 1.00 0.00 O ATOM 41 CB SER A 5 -4.015 -1.629 -16.491 1.00 0.00 C ATOM 42 OG SER A 5 -3.612 -1.356 -17.822 1.00 0.00 O ATOM 0 H SER A 5 -5.328 -3.693 -17.408 1.00 0.00 H new ATOM 0 HA SER A 5 -2.700 -3.291 -16.128 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.072 -1.392 -16.372 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.465 -0.988 -15.802 1.00 0.00 H new ATOM 0 HG SER A 5 -3.778 -0.412 -18.027 1.00 0.00 H new ATOM 48 N SER A 6 -3.425 -3.627 -13.793 1.00 0.00 N ATOM 49 CA SER A 6 -3.820 -3.924 -12.421 1.00 0.00 C ATOM 50 C SER A 6 -4.391 -2.684 -11.739 1.00 0.00 C ATOM 51 O SER A 6 -4.321 -1.579 -12.275 1.00 0.00 O ATOM 52 CB SER A 6 -2.625 -4.452 -11.626 1.00 0.00 C ATOM 53 OG SER A 6 -1.991 -5.521 -12.308 1.00 0.00 O ATOM 0 H SER A 6 -2.417 -3.619 -13.949 1.00 0.00 H new ATOM 0 HA SER A 6 -4.595 -4.690 -12.451 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.909 -3.646 -11.461 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.958 -4.789 -10.644 1.00 0.00 H new ATOM 0 HG SER A 6 -1.229 -5.840 -11.780 1.00 0.00 H new ATOM 59 N GLY A 7 -4.957 -2.877 -10.552 1.00 0.00 N ATOM 60 CA GLY A 7 -5.532 -1.767 -9.815 1.00 0.00 C ATOM 61 C GLY A 7 -4.491 -0.984 -9.040 1.00 0.00 C ATOM 62 O GLY A 7 -4.354 -1.150 -7.828 1.00 0.00 O ATOM 0 H GLY A 7 -5.028 -3.782 -10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.042 -1.099 -10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.286 -2.145 -9.125 1.00 0.00 H new ATOM 66 N VAL A 8 -3.753 -0.129 -9.741 1.00 0.00 N ATOM 67 CA VAL A 8 -2.718 0.682 -9.111 1.00 0.00 C ATOM 68 C VAL A 8 -3.302 1.968 -8.535 1.00 0.00 C ATOM 69 O VAL A 8 -3.975 2.725 -9.235 1.00 0.00 O ATOM 70 CB VAL A 8 -1.601 1.041 -10.109 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.192 1.616 -11.388 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.618 2.017 -9.480 1.00 0.00 C ATOM 0 H VAL A 8 -3.853 0.020 -10.745 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.295 0.084 -8.303 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.060 0.130 -10.365 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.388 1.864 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.852 0.880 -11.847 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.759 2.517 -11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.164 2.260 -10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.143 2.928 -9.194 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.170 1.563 -8.596 1.00 0.00 H new ATOM 82 N VAL A 9 -3.039 2.209 -7.255 1.00 0.00 N ATOM 83 CA VAL A 9 -3.536 3.404 -6.584 1.00 0.00 C ATOM 84 C VAL A 9 -2.433 4.444 -6.424 1.00 0.00 C ATOM 85 O VAL A 9 -1.400 4.177 -5.810 1.00 0.00 O ATOM 86 CB VAL A 9 -4.117 3.069 -5.197 1.00 0.00 C ATOM 87 CG1 VAL A 9 -4.656 4.323 -4.527 1.00 0.00 C ATOM 88 CG2 VAL A 9 -5.202 2.010 -5.316 1.00 0.00 C ATOM 0 H VAL A 9 -2.484 1.592 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.328 3.813 -7.212 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.317 2.669 -4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.062 4.067 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.850 5.047 -4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.443 4.756 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.601 1.785 -4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.003 2.380 -5.955 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.780 1.104 -5.751 1.00 0.00 H new ATOM 98 N GLU A 10 -2.659 5.630 -6.980 1.00 0.00 N ATOM 99 CA GLU A 10 -1.683 6.710 -6.898 1.00 0.00 C ATOM 100 C GLU A 10 -2.105 7.747 -5.861 1.00 0.00 C ATOM 101 O GLU A 10 -3.093 8.460 -6.044 1.00 0.00 O ATOM 102 CB GLU A 10 -1.514 7.379 -8.264 1.00 0.00 C ATOM 103 CG GLU A 10 -0.383 8.393 -8.309 1.00 0.00 C ATOM 104 CD GLU A 10 -0.806 9.760 -7.809 1.00 0.00 C ATOM 105 OE1 GLU A 10 -1.374 10.535 -8.607 1.00 0.00 O ATOM 106 OE2 GLU A 10 -0.568 10.056 -6.619 1.00 0.00 O ATOM 0 H GLU A 10 -3.509 5.867 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.729 6.281 -6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.332 6.611 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.446 7.875 -8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.449 8.031 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.019 8.481 -9.333 1.00 0.00 H new ATOM 113 N LEU A 11 -1.350 7.826 -4.770 1.00 0.00 N ATOM 114 CA LEU A 11 -1.644 8.775 -3.702 1.00 0.00 C ATOM 115 C LEU A 11 -0.575 9.860 -3.628 1.00 0.00 C ATOM 116 O LEU A 11 0.600 9.628 -3.911 1.00 0.00 O ATOM 117 CB LEU A 11 -1.743 8.048 -2.360 1.00 0.00 C ATOM 118 CG LEU A 11 -2.729 6.881 -2.300 1.00 0.00 C ATOM 119 CD1 LEU A 11 -2.517 6.068 -1.032 1.00 0.00 C ATOM 120 CD2 LEU A 11 -4.162 7.389 -2.377 1.00 0.00 C ATOM 0 H LEU A 11 -0.529 7.244 -4.602 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.601 9.248 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.753 7.675 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.023 8.774 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.548 6.233 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.228 5.242 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.501 5.673 -1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.670 6.705 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.850 6.545 -2.333 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.356 8.059 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.307 7.927 -3.314 1.00 0.00 H new ATOM 132 N PRO A 12 -0.990 11.074 -3.238 1.00 0.00 N ATOM 133 CA PRO A 12 -0.083 12.219 -3.114 1.00 0.00 C ATOM 134 C PRO A 12 0.887 12.067 -1.948 1.00 0.00 C ATOM 135 O PRO A 12 0.479 12.045 -0.786 1.00 0.00 O ATOM 136 CB PRO A 12 -1.030 13.397 -2.873 1.00 0.00 C ATOM 137 CG PRO A 12 -2.247 12.787 -2.267 1.00 0.00 C ATOM 138 CD PRO A 12 -2.377 11.422 -2.885 1.00 0.00 C ATOM 0 HA PRO A 12 0.549 12.336 -3.995 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.583 14.134 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.267 13.911 -3.804 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.150 12.717 -1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.130 13.393 -2.470 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.806 10.704 -2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.023 11.438 -3.763 1.00 0.00 H new ATOM 146 N LYS A 13 2.173 11.964 -2.264 1.00 0.00 N ATOM 147 CA LYS A 13 3.203 11.816 -1.242 1.00 0.00 C ATOM 148 C LYS A 13 3.327 13.086 -0.407 1.00 0.00 C ATOM 149 O LYS A 13 3.880 14.089 -0.860 1.00 0.00 O ATOM 150 CB LYS A 13 4.549 11.485 -1.890 1.00 0.00 C ATOM 151 CG LYS A 13 5.724 11.571 -0.930 1.00 0.00 C ATOM 152 CD LYS A 13 5.861 10.305 -0.102 1.00 0.00 C ATOM 153 CE LYS A 13 5.064 10.395 1.190 1.00 0.00 C ATOM 154 NZ LYS A 13 5.834 11.067 2.272 1.00 0.00 N ATOM 0 H LYS A 13 2.527 11.980 -3.220 1.00 0.00 H new ATOM 0 HA LYS A 13 2.912 10.997 -0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.504 10.479 -2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.720 12.168 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.642 11.740 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.593 12.427 -0.268 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.518 9.450 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.912 10.132 0.129 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.139 10.943 1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.783 9.393 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.256 11.108 3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.704 10.531 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.081 12.032 1.974 1.00 0.00 H new ATOM 168 N THR A 14 2.811 13.037 0.817 1.00 0.00 N ATOM 169 CA THR A 14 2.864 14.183 1.716 1.00 0.00 C ATOM 170 C THR A 14 2.963 13.738 3.170 1.00 0.00 C ATOM 171 O THR A 14 2.054 13.094 3.695 1.00 0.00 O ATOM 172 CB THR A 14 1.627 15.085 1.550 1.00 0.00 C ATOM 173 OG1 THR A 14 0.433 14.298 1.627 1.00 0.00 O ATOM 174 CG2 THR A 14 1.669 15.823 0.220 1.00 0.00 C ATOM 0 H THR A 14 2.351 12.215 1.209 1.00 0.00 H new ATOM 0 HA THR A 14 3.756 14.750 1.452 1.00 0.00 H new ATOM 0 HB THR A 14 1.630 15.820 2.355 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.550 13.591 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.785 16.454 0.126 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.564 16.444 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 14 1.688 15.101 -0.596 1.00 0.00 H new ATOM 182 N ASP A 15 4.071 14.084 3.816 1.00 0.00 N ATOM 183 CA ASP A 15 4.287 13.721 5.212 1.00 0.00 C ATOM 184 C ASP A 15 2.992 13.833 6.010 1.00 0.00 C ATOM 185 O ASP A 15 2.766 13.076 6.954 1.00 0.00 O ATOM 186 CB ASP A 15 5.362 14.614 5.833 1.00 0.00 C ATOM 187 CG ASP A 15 6.523 14.863 4.890 1.00 0.00 C ATOM 188 OD1 ASP A 15 7.441 14.017 4.843 1.00 0.00 O ATOM 189 OD2 ASP A 15 6.514 15.903 4.200 1.00 0.00 O ATOM 0 H ASP A 15 4.833 14.615 3.396 1.00 0.00 H new ATOM 0 HA ASP A 15 4.623 12.685 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.918 15.568 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.733 14.150 6.747 1.00 0.00 H new ATOM 194 N GLU A 16 2.145 14.782 5.624 1.00 0.00 N ATOM 195 CA GLU A 16 0.874 14.994 6.305 1.00 0.00 C ATOM 196 C GLU A 16 0.294 13.671 6.799 1.00 0.00 C ATOM 197 O GLU A 16 -0.313 13.607 7.867 1.00 0.00 O ATOM 198 CB GLU A 16 -0.123 15.682 5.370 1.00 0.00 C ATOM 199 CG GLU A 16 0.385 16.996 4.800 1.00 0.00 C ATOM 200 CD GLU A 16 1.081 17.853 5.839 1.00 0.00 C ATOM 201 OE1 GLU A 16 2.248 17.554 6.169 1.00 0.00 O ATOM 202 OE2 GLU A 16 0.459 18.822 6.323 1.00 0.00 O ATOM 0 H GLU A 16 2.316 15.416 4.843 1.00 0.00 H new ATOM 0 HA GLU A 16 1.056 15.636 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.363 15.007 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.050 15.865 5.913 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.076 16.790 3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.452 17.552 4.377 1.00 0.00 H new ATOM 209 N GLY A 17 0.487 12.617 6.012 1.00 0.00 N ATOM 210 CA GLY A 17 -0.022 11.310 6.385 1.00 0.00 C ATOM 211 C GLY A 17 -0.930 10.718 5.325 1.00 0.00 C ATOM 212 O GLY A 17 -1.791 11.408 4.778 1.00 0.00 O ATOM 0 H GLY A 17 0.987 12.645 5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.815 10.634 6.561 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.569 11.391 7.324 1.00 0.00 H new ATOM 216 N LEU A 18 -0.738 9.436 5.033 1.00 0.00 N ATOM 217 CA LEU A 18 -1.546 8.751 4.030 1.00 0.00 C ATOM 218 C LEU A 18 -2.836 8.216 4.643 1.00 0.00 C ATOM 219 O LEU A 18 -3.931 8.512 4.166 1.00 0.00 O ATOM 220 CB LEU A 18 -0.751 7.603 3.405 1.00 0.00 C ATOM 221 CG LEU A 18 0.287 8.000 2.354 1.00 0.00 C ATOM 222 CD1 LEU A 18 1.460 7.033 2.372 1.00 0.00 C ATOM 223 CD2 LEU A 18 -0.346 8.050 0.971 1.00 0.00 C ATOM 0 H LEU A 18 -0.030 8.850 5.476 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.806 9.471 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.242 7.063 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.454 6.907 2.947 1.00 0.00 H new ATOM 0 HG LEU A 18 0.660 8.995 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.189 7.331 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.929 7.048 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.104 6.026 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.407 8.334 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.747 7.068 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.152 8.783 0.966 1.00 0.00 H new ATOM 235 N GLY A 19 -2.700 7.428 5.705 1.00 0.00 N ATOM 236 CA GLY A 19 -3.863 6.867 6.367 1.00 0.00 C ATOM 237 C GLY A 19 -3.969 5.366 6.178 1.00 0.00 C ATOM 238 O GLY A 19 -5.069 4.821 6.090 1.00 0.00 O ATOM 0 H GLY A 19 -1.805 7.168 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.816 7.094 7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.763 7.344 5.979 1.00 0.00 H new ATOM 242 N PHE A 20 -2.823 4.697 6.114 1.00 0.00 N ATOM 243 CA PHE A 20 -2.792 3.250 5.931 1.00 0.00 C ATOM 244 C PHE A 20 -1.599 2.636 6.659 1.00 0.00 C ATOM 245 O PHE A 20 -0.514 3.215 6.693 1.00 0.00 O ATOM 246 CB PHE A 20 -2.729 2.904 4.442 1.00 0.00 C ATOM 247 CG PHE A 20 -1.330 2.856 3.897 1.00 0.00 C ATOM 248 CD1 PHE A 20 -0.530 1.743 4.100 1.00 0.00 C ATOM 249 CD2 PHE A 20 -0.815 3.924 3.180 1.00 0.00 C ATOM 250 CE1 PHE A 20 0.757 1.697 3.600 1.00 0.00 C ATOM 251 CE2 PHE A 20 0.472 3.884 2.676 1.00 0.00 C ATOM 252 CZ PHE A 20 1.258 2.768 2.886 1.00 0.00 C ATOM 0 H PHE A 20 -1.904 5.133 6.186 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.707 2.835 6.354 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.207 1.937 4.281 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.304 3.641 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.917 0.902 4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.426 4.798 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.371 0.824 3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.862 4.724 2.119 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.263 2.733 2.492 1.00 0.00 H new ATOM 262 N ASN A 21 -1.810 1.460 7.241 1.00 0.00 N ATOM 263 CA ASN A 21 -0.754 0.767 7.969 1.00 0.00 C ATOM 264 C ASN A 21 -0.557 -0.646 7.428 1.00 0.00 C ATOM 265 O ASN A 21 -1.518 -1.316 7.050 1.00 0.00 O ATOM 266 CB ASN A 21 -1.086 0.712 9.461 1.00 0.00 C ATOM 267 CG ASN A 21 -1.122 2.088 10.097 1.00 0.00 C ATOM 268 OD1 ASN A 21 -1.439 3.080 9.439 1.00 0.00 O ATOM 269 ND2 ASN A 21 -0.797 2.155 11.382 1.00 0.00 N ATOM 0 H ASN A 21 -2.703 0.967 7.223 1.00 0.00 H new ATOM 0 HA ASN A 21 0.173 1.323 7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.052 0.226 9.598 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -0.345 0.098 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.803 3.054 11.863 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.541 1.307 11.888 1.00 0.00 H new ATOM 276 N ILE A 22 0.694 -1.092 7.395 1.00 0.00 N ATOM 277 CA ILE A 22 1.017 -2.425 6.902 1.00 0.00 C ATOM 278 C ILE A 22 1.935 -3.162 7.871 1.00 0.00 C ATOM 279 O ILE A 22 2.689 -2.542 8.621 1.00 0.00 O ATOM 280 CB ILE A 22 1.690 -2.366 5.518 1.00 0.00 C ATOM 281 CG1 ILE A 22 2.911 -1.445 5.560 1.00 0.00 C ATOM 282 CG2 ILE A 22 0.699 -1.893 4.466 1.00 0.00 C ATOM 283 CD1 ILE A 22 3.787 -1.547 4.331 1.00 0.00 C ATOM 0 H ILE A 22 1.501 -0.550 7.704 1.00 0.00 H new ATOM 0 HA ILE A 22 0.075 -2.966 6.815 1.00 0.00 H new ATOM 0 HB ILE A 22 2.023 -3.369 5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.575 -0.414 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.506 -1.684 6.441 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.190 -1.857 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.143 -2.584 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.338 -0.898 4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.633 -0.867 4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.153 -2.569 4.229 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.207 -1.279 3.448 1.00 0.00 H new ATOM 295 N MET A 23 1.867 -4.489 7.849 1.00 0.00 N ATOM 296 CA MET A 23 2.695 -5.311 8.723 1.00 0.00 C ATOM 297 C MET A 23 3.202 -6.548 7.988 1.00 0.00 C ATOM 298 O MET A 23 2.517 -7.092 7.123 1.00 0.00 O ATOM 299 CB MET A 23 1.904 -5.730 9.964 1.00 0.00 C ATOM 300 CG MET A 23 0.864 -6.803 9.689 1.00 0.00 C ATOM 301 SD MET A 23 0.542 -7.843 11.126 1.00 0.00 S ATOM 302 CE MET A 23 -1.248 -7.913 11.098 1.00 0.00 C ATOM 0 H MET A 23 1.247 -5.018 7.235 1.00 0.00 H new ATOM 0 HA MET A 23 3.555 -4.716 9.032 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.598 -6.094 10.721 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.408 -4.854 10.381 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.065 -6.330 9.372 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.202 -7.427 8.862 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.604 -8.463 11.969 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.652 -6.901 11.118 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.578 -8.418 10.190 1.00 0.00 H new ATOM 312 N GLY A 24 4.407 -6.987 8.338 1.00 0.00 N ATOM 313 CA GLY A 24 4.985 -8.156 7.701 1.00 0.00 C ATOM 314 C GLY A 24 6.039 -7.795 6.673 1.00 0.00 C ATOM 315 O GLY A 24 6.125 -6.647 6.238 1.00 0.00 O ATOM 0 H GLY A 24 4.993 -6.554 9.051 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.429 -8.798 8.462 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.195 -8.732 7.220 1.00 0.00 H new ATOM 319 N GLY A 25 6.845 -8.778 6.284 1.00 0.00 N ATOM 320 CA GLY A 25 7.890 -8.537 5.306 1.00 0.00 C ATOM 321 C GLY A 25 8.745 -9.764 5.057 1.00 0.00 C ATOM 322 O GLY A 25 8.239 -10.814 4.662 1.00 0.00 O ATOM 0 H GLY A 25 6.793 -9.737 6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.438 -8.216 4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.524 -7.720 5.650 1.00 0.00 H new ATOM 326 N LYS A 26 10.047 -9.631 5.289 1.00 0.00 N ATOM 327 CA LYS A 26 10.977 -10.737 5.088 1.00 0.00 C ATOM 328 C LYS A 26 11.141 -11.549 6.368 1.00 0.00 C ATOM 329 O LYS A 26 10.754 -12.716 6.427 1.00 0.00 O ATOM 330 CB LYS A 26 12.337 -10.209 4.628 1.00 0.00 C ATOM 331 CG LYS A 26 12.426 -9.979 3.129 1.00 0.00 C ATOM 332 CD LYS A 26 12.783 -11.258 2.389 1.00 0.00 C ATOM 333 CE LYS A 26 12.843 -11.033 0.886 1.00 0.00 C ATOM 334 NZ LYS A 26 13.543 -12.147 0.187 1.00 0.00 N ATOM 0 H LYS A 26 10.482 -8.768 5.616 1.00 0.00 H new ATOM 0 HA LYS A 26 10.567 -11.388 4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.547 -9.272 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.111 -10.916 4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.473 -9.599 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.176 -9.216 2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.746 -11.627 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.045 -12.028 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.831 -10.936 0.492 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.357 -10.094 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.563 -11.957 -0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.517 -12.224 0.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.038 -13.039 0.363 1.00 0.00 H new ATOM 348 N GLU A 27 11.715 -10.924 7.391 1.00 0.00 N ATOM 349 CA GLU A 27 11.929 -11.590 8.670 1.00 0.00 C ATOM 350 C GLU A 27 10.667 -12.319 9.121 1.00 0.00 C ATOM 351 O GLU A 27 10.733 -13.441 9.624 1.00 0.00 O ATOM 352 CB GLU A 27 12.353 -10.576 9.734 1.00 0.00 C ATOM 353 CG GLU A 27 12.642 -11.200 11.089 1.00 0.00 C ATOM 354 CD GLU A 27 13.611 -12.363 11.001 1.00 0.00 C ATOM 355 OE1 GLU A 27 14.602 -12.255 10.249 1.00 0.00 O ATOM 356 OE2 GLU A 27 13.377 -13.382 11.686 1.00 0.00 O ATOM 0 H GLU A 27 12.040 -9.958 7.359 1.00 0.00 H new ATOM 0 HA GLU A 27 12.725 -12.323 8.540 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.243 -10.050 9.388 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.566 -9.830 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.052 -10.440 11.755 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.708 -11.543 11.533 1.00 0.00 H new ATOM 363 N GLN A 28 9.520 -11.673 8.938 1.00 0.00 N ATOM 364 CA GLN A 28 8.243 -12.260 9.328 1.00 0.00 C ATOM 365 C GLN A 28 7.855 -13.395 8.386 1.00 0.00 C ATOM 366 O GLN A 28 7.095 -14.289 8.756 1.00 0.00 O ATOM 367 CB GLN A 28 7.148 -11.191 9.335 1.00 0.00 C ATOM 368 CG GLN A 28 7.008 -10.474 10.668 1.00 0.00 C ATOM 369 CD GLN A 28 5.594 -9.987 10.923 1.00 0.00 C ATOM 370 OE1 GLN A 28 4.631 -10.740 10.777 1.00 0.00 O ATOM 371 NE2 GLN A 28 5.463 -8.723 11.306 1.00 0.00 N ATOM 0 H GLN A 28 9.449 -10.744 8.523 1.00 0.00 H new ATOM 0 HA GLN A 28 8.351 -12.667 10.333 1.00 0.00 H new ATOM 0 HB2 GLN A 28 7.363 -10.457 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.196 -11.656 9.080 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.307 -11.147 11.472 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.691 -9.625 10.693 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.289 -8.135 11.414 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.536 -8.340 11.492 1.00 0.00 H new ATOM 380 N ASN A 29 8.383 -13.352 7.167 1.00 0.00 N ATOM 381 CA ASN A 29 8.091 -14.377 6.171 1.00 0.00 C ATOM 382 C ASN A 29 6.600 -14.415 5.851 1.00 0.00 C ATOM 383 O ASN A 29 6.025 -15.485 5.651 1.00 0.00 O ATOM 384 CB ASN A 29 8.552 -15.748 6.670 1.00 0.00 C ATOM 385 CG ASN A 29 10.063 -15.861 6.734 1.00 0.00 C ATOM 386 OD1 ASN A 29 10.662 -15.723 7.801 1.00 0.00 O ATOM 387 ND2 ASN A 29 10.687 -16.113 5.589 1.00 0.00 N ATOM 0 H ASN A 29 9.015 -12.619 6.845 1.00 0.00 H new ATOM 0 HA ASN A 29 8.634 -14.128 5.259 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.134 -15.931 7.660 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.160 -16.522 6.011 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.703 -16.200 5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.150 -16.220 4.728 1.00 0.00 H new ATOM 394 N SER A 30 5.980 -13.240 5.804 1.00 0.00 N ATOM 395 CA SER A 30 4.555 -13.139 5.512 1.00 0.00 C ATOM 396 C SER A 30 4.293 -12.079 4.446 1.00 0.00 C ATOM 397 O SER A 30 5.078 -11.151 4.251 1.00 0.00 O ATOM 398 CB SER A 30 3.774 -12.804 6.784 1.00 0.00 C ATOM 399 OG SER A 30 4.437 -11.807 7.542 1.00 0.00 O ATOM 0 H SER A 30 6.442 -12.345 5.964 1.00 0.00 H new ATOM 0 HA SER A 30 4.218 -14.103 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.774 -12.460 6.520 1.00 0.00 H new ATOM 0 HB3 SER A 30 3.653 -13.704 7.388 1.00 0.00 H new ATOM 0 HG SER A 30 3.917 -11.610 8.349 1.00 0.00 H new ATOM 405 N PRO A 31 3.162 -12.218 3.739 1.00 0.00 N ATOM 406 CA PRO A 31 2.769 -11.282 2.682 1.00 0.00 C ATOM 407 C PRO A 31 2.371 -9.918 3.234 1.00 0.00 C ATOM 408 O PRO A 31 1.603 -9.825 4.192 1.00 0.00 O ATOM 409 CB PRO A 31 1.564 -11.968 2.031 1.00 0.00 C ATOM 410 CG PRO A 31 1.004 -12.843 3.099 1.00 0.00 C ATOM 411 CD PRO A 31 2.179 -13.300 3.918 1.00 0.00 C ATOM 0 HA PRO A 31 3.587 -11.081 1.991 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.829 -11.238 1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 31 1.863 -12.550 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.288 -12.298 3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.474 -13.693 2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.911 -13.430 4.967 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.566 -14.256 3.567 1.00 0.00 H new ATOM 419 N ILE A 32 2.898 -8.861 2.624 1.00 0.00 N ATOM 420 CA ILE A 32 2.596 -7.502 3.055 1.00 0.00 C ATOM 421 C ILE A 32 1.178 -7.103 2.660 1.00 0.00 C ATOM 422 O ILE A 32 0.796 -7.199 1.493 1.00 0.00 O ATOM 423 CB ILE A 32 3.588 -6.488 2.455 1.00 0.00 C ATOM 424 CG1 ILE A 32 5.022 -6.853 2.846 1.00 0.00 C ATOM 425 CG2 ILE A 32 3.249 -5.079 2.917 1.00 0.00 C ATOM 426 CD1 ILE A 32 6.070 -6.210 1.965 1.00 0.00 C ATOM 0 H ILE A 32 3.536 -8.920 1.830 1.00 0.00 H new ATOM 0 HA ILE A 32 2.686 -7.488 4.141 1.00 0.00 H new ATOM 0 HB ILE A 32 3.508 -6.522 1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.195 -6.555 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.137 -7.936 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.959 -4.374 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.240 -4.823 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.305 -5.029 4.004 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.062 -6.513 2.300 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.923 -6.528 0.933 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.981 -5.125 2.027 1.00 0.00 H new ATOM 438 N TYR A 33 0.402 -6.653 3.640 1.00 0.00 N ATOM 439 CA TYR A 33 -0.975 -6.239 3.396 1.00 0.00 C ATOM 440 C TYR A 33 -1.364 -5.076 4.304 1.00 0.00 C ATOM 441 O TYR A 33 -0.593 -4.670 5.175 1.00 0.00 O ATOM 442 CB TYR A 33 -1.929 -7.414 3.615 1.00 0.00 C ATOM 443 CG TYR A 33 -1.695 -8.149 4.915 1.00 0.00 C ATOM 444 CD1 TYR A 33 -2.092 -7.601 6.128 1.00 0.00 C ATOM 445 CD2 TYR A 33 -1.077 -9.394 4.930 1.00 0.00 C ATOM 446 CE1 TYR A 33 -1.879 -8.269 7.318 1.00 0.00 C ATOM 447 CE2 TYR A 33 -0.861 -10.070 6.115 1.00 0.00 C ATOM 448 CZ TYR A 33 -1.264 -9.503 7.307 1.00 0.00 C ATOM 449 OH TYR A 33 -1.051 -10.173 8.490 1.00 0.00 O ATOM 0 H TYR A 33 0.703 -6.566 4.611 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.050 -5.907 2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.955 -7.047 3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.825 -8.115 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.576 -6.636 6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.760 -9.840 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.193 -7.827 8.252 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.380 -11.037 6.109 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.608 -11.028 8.307 1.00 0.00 H new ATOM 459 N ILE A 34 -2.564 -4.546 4.095 1.00 0.00 N ATOM 460 CA ILE A 34 -3.056 -3.432 4.895 1.00 0.00 C ATOM 461 C ILE A 34 -3.642 -3.920 6.215 1.00 0.00 C ATOM 462 O ILE A 34 -4.762 -4.430 6.259 1.00 0.00 O ATOM 463 CB ILE A 34 -4.128 -2.626 4.138 1.00 0.00 C ATOM 464 CG1 ILE A 34 -3.606 -2.209 2.761 1.00 0.00 C ATOM 465 CG2 ILE A 34 -4.541 -1.404 4.946 1.00 0.00 C ATOM 466 CD1 ILE A 34 -2.439 -1.250 2.822 1.00 0.00 C ATOM 0 H ILE A 34 -3.213 -4.870 3.378 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.201 -2.786 5.096 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.005 -3.258 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.305 -3.100 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.417 -1.746 2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.299 -0.845 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.948 -1.723 5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.672 -0.768 5.114 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.122 -0.998 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.741 -0.342 3.344 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.612 -1.717 3.356 1.00 0.00 H new ATOM 478 N SER A 35 -2.878 -3.760 7.291 1.00 0.00 N ATOM 479 CA SER A 35 -3.320 -4.186 8.613 1.00 0.00 C ATOM 480 C SER A 35 -4.436 -3.284 9.130 1.00 0.00 C ATOM 481 O SER A 35 -5.461 -3.763 9.617 1.00 0.00 O ATOM 482 CB SER A 35 -2.146 -4.176 9.594 1.00 0.00 C ATOM 483 OG SER A 35 -2.589 -3.926 10.917 1.00 0.00 O ATOM 0 H SER A 35 -1.949 -3.338 7.273 1.00 0.00 H new ATOM 0 HA SER A 35 -3.707 -5.202 8.530 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.628 -5.134 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.427 -3.412 9.298 1.00 0.00 H new ATOM 0 HG SER A 35 -1.820 -3.926 11.525 1.00 0.00 H new ATOM 489 N ARG A 36 -4.231 -1.976 9.019 1.00 0.00 N ATOM 490 CA ARG A 36 -5.219 -1.006 9.476 1.00 0.00 C ATOM 491 C ARG A 36 -5.315 0.169 8.507 1.00 0.00 C ATOM 492 O ARG A 36 -4.399 0.417 7.723 1.00 0.00 O ATOM 493 CB ARG A 36 -4.859 -0.500 10.874 1.00 0.00 C ATOM 494 CG ARG A 36 -6.032 0.117 11.618 1.00 0.00 C ATOM 495 CD ARG A 36 -5.671 0.436 13.061 1.00 0.00 C ATOM 496 NE ARG A 36 -5.440 -0.773 13.847 1.00 0.00 N ATOM 497 CZ ARG A 36 -5.568 -0.825 15.168 1.00 0.00 C ATOM 498 NH1 ARG A 36 -5.924 0.257 15.847 1.00 0.00 N ATOM 499 NH2 ARG A 36 -5.340 -1.962 15.814 1.00 0.00 N ATOM 0 H ARG A 36 -3.390 -1.563 8.617 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.188 -1.503 9.515 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.463 -1.329 11.461 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.063 0.240 10.790 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.347 1.029 11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.879 -0.569 11.597 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.776 1.058 13.082 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.474 1.016 13.516 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.166 -1.623 13.355 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.101 1.133 15.355 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.021 0.213 16.861 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.066 -2.797 15.296 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.439 -2.001 16.828 1.00 0.00 H new ATOM 513 N VAL A 37 -6.431 0.888 8.566 1.00 0.00 N ATOM 514 CA VAL A 37 -6.648 2.037 7.695 1.00 0.00 C ATOM 515 C VAL A 37 -7.264 3.201 8.462 1.00 0.00 C ATOM 516 O VAL A 37 -8.203 3.018 9.238 1.00 0.00 O ATOM 517 CB VAL A 37 -7.562 1.677 6.508 1.00 0.00 C ATOM 518 CG1 VAL A 37 -7.826 2.903 5.647 1.00 0.00 C ATOM 519 CG2 VAL A 37 -6.947 0.557 5.683 1.00 0.00 C ATOM 0 H VAL A 37 -7.199 0.695 9.208 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.671 2.334 7.315 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.517 1.326 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.473 2.630 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.313 3.671 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.882 3.287 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.606 0.316 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.978 0.877 5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.815 -0.326 6.309 1.00 0.00 H new ATOM 529 N ILE A 38 -6.730 4.397 8.241 1.00 0.00 N ATOM 530 CA ILE A 38 -7.229 5.591 8.912 1.00 0.00 C ATOM 531 C ILE A 38 -8.530 6.074 8.278 1.00 0.00 C ATOM 532 O ILE A 38 -8.592 6.387 7.089 1.00 0.00 O ATOM 533 CB ILE A 38 -6.196 6.733 8.870 1.00 0.00 C ATOM 534 CG1 ILE A 38 -4.849 6.251 9.411 1.00 0.00 C ATOM 535 CG2 ILE A 38 -6.696 7.929 9.668 1.00 0.00 C ATOM 536 CD1 ILE A 38 -4.936 5.638 10.791 1.00 0.00 C ATOM 0 H ILE A 38 -5.952 4.565 7.603 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.413 5.316 9.951 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.061 7.043 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.432 5.517 8.722 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.156 7.092 9.439 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.955 8.728 9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.635 8.284 9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.856 7.633 10.705 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.944 5.319 11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.323 6.376 11.493 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.603 4.777 10.765 1.00 0.00 H new ATOM 548 N PRO A 39 -9.595 6.139 9.091 1.00 0.00 N ATOM 549 CA PRO A 39 -10.914 6.586 8.633 1.00 0.00 C ATOM 550 C PRO A 39 -10.943 8.077 8.315 1.00 0.00 C ATOM 551 O PRO A 39 -11.988 8.628 7.971 1.00 0.00 O ATOM 552 CB PRO A 39 -11.826 6.275 9.822 1.00 0.00 C ATOM 553 CG PRO A 39 -10.923 6.289 11.006 1.00 0.00 C ATOM 554 CD PRO A 39 -9.594 5.782 10.519 1.00 0.00 C ATOM 0 HA PRO A 39 -11.213 6.093 7.708 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.617 7.018 9.919 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -12.311 5.306 9.706 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -10.831 7.295 11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -11.314 5.656 11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.766 6.251 11.050 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.497 4.706 10.664 1.00 0.00 H new ATOM 562 N GLY A 40 -9.788 8.725 8.431 1.00 0.00 N ATOM 563 CA GLY A 40 -9.703 10.147 8.152 1.00 0.00 C ATOM 564 C GLY A 40 -8.367 10.541 7.554 1.00 0.00 C ATOM 565 O GLY A 40 -7.747 11.511 7.989 1.00 0.00 O ATOM 0 H GLY A 40 -8.909 8.291 8.713 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.502 10.428 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.864 10.705 9.074 1.00 0.00 H new ATOM 569 N GLY A 41 -7.922 9.787 6.554 1.00 0.00 N ATOM 570 CA GLY A 41 -6.653 10.078 5.913 1.00 0.00 C ATOM 571 C GLY A 41 -6.775 10.188 4.406 1.00 0.00 C ATOM 572 O GLY A 41 -7.878 10.137 3.861 1.00 0.00 O ATOM 0 H GLY A 41 -8.418 8.980 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.254 11.011 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.937 9.294 6.160 1.00 0.00 H new ATOM 576 N VAL A 42 -5.640 10.340 3.731 1.00 0.00 N ATOM 577 CA VAL A 42 -5.625 10.458 2.278 1.00 0.00 C ATOM 578 C VAL A 42 -6.157 9.190 1.619 1.00 0.00 C ATOM 579 O VAL A 42 -6.988 9.251 0.713 1.00 0.00 O ATOM 580 CB VAL A 42 -4.205 10.739 1.752 1.00 0.00 C ATOM 581 CG1 VAL A 42 -4.199 10.788 0.232 1.00 0.00 C ATOM 582 CG2 VAL A 42 -3.669 12.036 2.338 1.00 0.00 C ATOM 0 H VAL A 42 -4.719 10.384 4.167 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.272 11.297 2.022 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.551 9.926 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.187 10.988 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.540 9.831 -0.164 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.865 11.580 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.665 12.220 1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.322 12.861 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.635 11.958 3.425 1.00 0.00 H new ATOM 592 N ALA A 43 -5.673 8.042 2.080 1.00 0.00 N ATOM 593 CA ALA A 43 -6.102 6.759 1.537 1.00 0.00 C ATOM 594 C ALA A 43 -7.621 6.631 1.564 1.00 0.00 C ATOM 595 O ALA A 43 -8.266 6.554 0.518 1.00 0.00 O ATOM 596 CB ALA A 43 -5.461 5.617 2.312 1.00 0.00 C ATOM 0 H ALA A 43 -4.983 7.974 2.828 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.778 6.706 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.790 4.665 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.376 5.690 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.757 5.677 3.359 1.00 0.00 H new ATOM 602 N ASP A 44 -8.187 6.608 2.766 1.00 0.00 N ATOM 603 CA ASP A 44 -9.631 6.490 2.929 1.00 0.00 C ATOM 604 C ASP A 44 -10.362 7.493 2.042 1.00 0.00 C ATOM 605 O ASP A 44 -11.367 7.162 1.412 1.00 0.00 O ATOM 606 CB ASP A 44 -10.020 6.706 4.393 1.00 0.00 C ATOM 607 CG ASP A 44 -11.447 6.284 4.681 1.00 0.00 C ATOM 608 OD1 ASP A 44 -12.366 7.094 4.440 1.00 0.00 O ATOM 609 OD2 ASP A 44 -11.645 5.143 5.147 1.00 0.00 O ATOM 0 H ASP A 44 -7.667 6.670 3.642 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.925 5.485 2.628 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.341 6.142 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.897 7.759 4.647 1.00 0.00 H new ATOM 614 N ARG A 45 -9.852 8.719 1.999 1.00 0.00 N ATOM 615 CA ARG A 45 -10.458 9.771 1.191 1.00 0.00 C ATOM 616 C ARG A 45 -10.467 9.385 -0.285 1.00 0.00 C ATOM 617 O ARG A 45 -11.457 9.594 -0.986 1.00 0.00 O ATOM 618 CB ARG A 45 -9.703 11.088 1.381 1.00 0.00 C ATOM 619 CG ARG A 45 -9.874 11.694 2.764 1.00 0.00 C ATOM 620 CD ARG A 45 -11.070 12.631 2.817 1.00 0.00 C ATOM 621 NE ARG A 45 -12.335 11.903 2.841 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.877 11.406 3.948 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.267 11.560 5.115 1.00 0.00 N ATOM 624 NH2 ARG A 45 -14.032 10.756 3.889 1.00 0.00 N ATOM 0 H ARG A 45 -9.021 9.009 2.514 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.489 9.901 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.642 10.919 1.196 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.046 11.805 0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.001 10.898 3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.971 12.239 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.998 13.261 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.050 13.294 1.952 1.00 0.00 H new ATOM 0 HE ARG A 45 -12.830 11.768 1.960 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.380 12.061 5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.685 11.178 5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.505 10.637 2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.447 10.375 4.739 1.00 0.00 H new ATOM 638 N HIS A 46 -9.356 8.822 -0.751 1.00 0.00 N ATOM 639 CA HIS A 46 -9.236 8.407 -2.144 1.00 0.00 C ATOM 640 C HIS A 46 -10.301 7.372 -2.497 1.00 0.00 C ATOM 641 O HIS A 46 -11.044 7.536 -3.464 1.00 0.00 O ATOM 642 CB HIS A 46 -7.844 7.833 -2.409 1.00 0.00 C ATOM 643 CG HIS A 46 -7.654 7.346 -3.813 1.00 0.00 C ATOM 644 ND1 HIS A 46 -8.337 6.268 -4.334 1.00 0.00 N ATOM 645 CD2 HIS A 46 -6.853 7.798 -4.806 1.00 0.00 C ATOM 646 CE1 HIS A 46 -7.963 6.077 -5.587 1.00 0.00 C ATOM 647 NE2 HIS A 46 -7.064 6.992 -5.898 1.00 0.00 N ATOM 0 H HIS A 46 -8.527 8.643 -0.185 1.00 0.00 H new ATOM 0 HA HIS A 46 -9.385 9.285 -2.773 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.098 8.598 -2.194 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.663 7.008 -1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.174 8.636 -4.750 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.331 5.303 -6.245 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -6.601 7.085 -6.802 1.00 0.00 H new ATOM 655 N GLY A 47 -10.368 6.306 -1.705 1.00 0.00 N ATOM 656 CA GLY A 47 -11.344 5.260 -1.951 1.00 0.00 C ATOM 657 C GLY A 47 -10.799 4.153 -2.831 1.00 0.00 C ATOM 658 O GLY A 47 -11.026 4.142 -4.040 1.00 0.00 O ATOM 0 H GLY A 47 -9.764 6.148 -0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.667 4.838 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.226 5.694 -2.423 1.00 0.00 H new ATOM 662 N GLY A 48 -10.075 3.218 -2.223 1.00 0.00 N ATOM 663 CA GLY A 48 -9.505 2.116 -2.975 1.00 0.00 C ATOM 664 C GLY A 48 -8.711 1.167 -2.100 1.00 0.00 C ATOM 665 O GLY A 48 -8.810 -0.053 -2.244 1.00 0.00 O ATOM 0 H GLY A 48 -9.873 3.204 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.305 1.566 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.858 2.511 -3.758 1.00 0.00 H new ATOM 669 N LEU A 49 -7.919 1.725 -1.191 1.00 0.00 N ATOM 670 CA LEU A 49 -7.102 0.920 -0.289 1.00 0.00 C ATOM 671 C LEU A 49 -7.858 0.609 0.999 1.00 0.00 C ATOM 672 O LEU A 49 -8.318 1.514 1.695 1.00 0.00 O ATOM 673 CB LEU A 49 -5.796 1.647 0.035 1.00 0.00 C ATOM 674 CG LEU A 49 -4.691 1.544 -1.017 1.00 0.00 C ATOM 675 CD1 LEU A 49 -3.649 2.631 -0.805 1.00 0.00 C ATOM 676 CD2 LEU A 49 -4.044 0.167 -0.978 1.00 0.00 C ATOM 0 H LEU A 49 -7.825 2.732 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.872 -0.021 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.021 2.702 0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.411 1.257 0.977 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.138 1.685 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.871 2.542 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.123 3.610 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.206 2.522 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.260 0.112 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.611 -0.004 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.797 -0.595 -1.180 1.00 0.00 H new ATOM 688 N LYS A 50 -7.980 -0.677 1.311 1.00 0.00 N ATOM 689 CA LYS A 50 -8.676 -1.109 2.517 1.00 0.00 C ATOM 690 C LYS A 50 -7.906 -2.221 3.221 1.00 0.00 C ATOM 691 O LYS A 50 -7.059 -2.880 2.618 1.00 0.00 O ATOM 692 CB LYS A 50 -10.087 -1.590 2.172 1.00 0.00 C ATOM 693 CG LYS A 50 -11.065 -0.461 1.898 1.00 0.00 C ATOM 694 CD LYS A 50 -11.528 0.200 3.186 1.00 0.00 C ATOM 695 CE LYS A 50 -12.751 1.074 2.956 1.00 0.00 C ATOM 696 NZ LYS A 50 -12.384 2.405 2.397 1.00 0.00 N ATOM 0 H LYS A 50 -7.606 -1.438 0.745 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.745 -0.256 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.037 -2.237 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.466 -2.196 2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.593 0.282 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.928 -0.849 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.761 -0.566 3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.720 0.805 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.435 0.569 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.283 1.210 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.245 2.971 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.752 2.897 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.899 2.277 1.486 1.00 0.00 H new ATOM 710 N ARG A 51 -8.207 -2.426 4.499 1.00 0.00 N ATOM 711 CA ARG A 51 -7.543 -3.459 5.285 1.00 0.00 C ATOM 712 C ARG A 51 -7.682 -4.824 4.616 1.00 0.00 C ATOM 713 O ARG A 51 -8.765 -5.199 4.167 1.00 0.00 O ATOM 714 CB ARG A 51 -8.126 -3.510 6.698 1.00 0.00 C ATOM 715 CG ARG A 51 -7.647 -4.701 7.512 1.00 0.00 C ATOM 716 CD ARG A 51 -8.538 -4.944 8.720 1.00 0.00 C ATOM 717 NE ARG A 51 -8.514 -3.821 9.654 1.00 0.00 N ATOM 718 CZ ARG A 51 -9.490 -3.560 10.516 1.00 0.00 C ATOM 719 NH1 ARG A 51 -10.562 -4.339 10.564 1.00 0.00 N ATOM 720 NH2 ARG A 51 -9.395 -2.520 11.333 1.00 0.00 N ATOM 0 H ARG A 51 -8.907 -1.890 5.012 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.484 -3.209 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.863 -2.592 7.224 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.214 -3.539 6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.634 -5.591 6.883 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.623 -4.529 7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.561 -5.116 8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.214 -5.849 9.233 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.703 -3.203 9.644 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.638 -5.141 9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.310 -4.137 11.227 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.571 -1.919 11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.145 -2.321 11.994 1.00 0.00 H new ATOM 734 N GLY A 52 -6.578 -5.562 4.554 1.00 0.00 N ATOM 735 CA GLY A 52 -6.599 -6.876 3.938 1.00 0.00 C ATOM 736 C GLY A 52 -5.852 -6.910 2.619 1.00 0.00 C ATOM 737 O GLY A 52 -5.208 -7.906 2.288 1.00 0.00 O ATOM 0 H GLY A 52 -5.670 -5.274 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.157 -7.601 4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.633 -7.181 3.775 1.00 0.00 H new ATOM 741 N ASP A 53 -5.941 -5.822 1.863 1.00 0.00 N ATOM 742 CA ASP A 53 -5.269 -5.731 0.572 1.00 0.00 C ATOM 743 C ASP A 53 -3.789 -6.076 0.704 1.00 0.00 C ATOM 744 O ASP A 53 -3.147 -5.725 1.693 1.00 0.00 O ATOM 745 CB ASP A 53 -5.428 -4.326 -0.012 1.00 0.00 C ATOM 746 CG ASP A 53 -4.227 -3.901 -0.834 1.00 0.00 C ATOM 747 OD1 ASP A 53 -3.703 -4.741 -1.595 1.00 0.00 O ATOM 748 OD2 ASP A 53 -3.810 -2.730 -0.715 1.00 0.00 O ATOM 0 H ASP A 53 -6.472 -4.990 2.122 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.732 -6.451 -0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.321 -4.294 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.580 -3.614 0.799 1.00 0.00 H new ATOM 753 N GLN A 54 -3.256 -6.766 -0.299 1.00 0.00 N ATOM 754 CA GLN A 54 -1.852 -7.161 -0.293 1.00 0.00 C ATOM 755 C GLN A 54 -1.029 -6.256 -1.204 1.00 0.00 C ATOM 756 O GLN A 54 -1.403 -6.005 -2.351 1.00 0.00 O ATOM 757 CB GLN A 54 -1.708 -8.617 -0.737 1.00 0.00 C ATOM 758 CG GLN A 54 -0.500 -9.319 -0.137 1.00 0.00 C ATOM 759 CD GLN A 54 0.812 -8.795 -0.688 1.00 0.00 C ATOM 760 OE1 GLN A 54 0.841 -8.119 -1.717 1.00 0.00 O ATOM 761 NE2 GLN A 54 1.907 -9.105 -0.004 1.00 0.00 N ATOM 0 H GLN A 54 -3.774 -7.063 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.476 -7.060 0.725 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.610 -9.163 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.635 -8.651 -1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.512 -9.193 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -0.571 -10.389 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.837 -9.668 0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.819 -8.780 -0.326 1.00 0.00 H new ATOM 770 N LEU A 55 0.093 -5.767 -0.687 1.00 0.00 N ATOM 771 CA LEU A 55 0.970 -4.889 -1.453 1.00 0.00 C ATOM 772 C LEU A 55 1.787 -5.685 -2.466 1.00 0.00 C ATOM 773 O LEU A 55 2.608 -6.525 -2.095 1.00 0.00 O ATOM 774 CB LEU A 55 1.905 -4.124 -0.515 1.00 0.00 C ATOM 775 CG LEU A 55 2.585 -2.888 -1.106 1.00 0.00 C ATOM 776 CD1 LEU A 55 1.574 -1.772 -1.318 1.00 0.00 C ATOM 777 CD2 LEU A 55 3.718 -2.420 -0.204 1.00 0.00 C ATOM 0 H LEU A 55 0.417 -5.964 0.260 1.00 0.00 H new ATOM 0 HA LEU A 55 0.347 -4.177 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.335 -3.816 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.679 -4.809 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 55 3.006 -3.157 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.076 -0.901 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.798 -2.110 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.122 -1.504 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.190 -1.540 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.320 -2.169 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.456 -3.216 -0.104 1.00 0.00 H new ATOM 789 N LEU A 56 1.560 -5.413 -3.746 1.00 0.00 N ATOM 790 CA LEU A 56 2.277 -6.102 -4.814 1.00 0.00 C ATOM 791 C LEU A 56 3.585 -5.390 -5.138 1.00 0.00 C ATOM 792 O LEU A 56 4.629 -6.025 -5.290 1.00 0.00 O ATOM 793 CB LEU A 56 1.405 -6.188 -6.068 1.00 0.00 C ATOM 794 CG LEU A 56 0.095 -6.964 -5.923 1.00 0.00 C ATOM 795 CD1 LEU A 56 -0.677 -6.958 -7.233 1.00 0.00 C ATOM 796 CD2 LEU A 56 0.367 -8.390 -5.468 1.00 0.00 C ATOM 0 H LEU A 56 0.885 -4.720 -4.070 1.00 0.00 H new ATOM 0 HA LEU A 56 2.509 -7.110 -4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.170 -5.174 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.991 -6.649 -6.863 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.514 -6.472 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.606 -7.515 -7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.905 -5.930 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.075 -7.424 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.577 -8.927 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.996 -8.893 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.877 -8.374 -4.505 1.00 0.00 H new ATOM 808 N SER A 57 3.523 -4.066 -5.241 1.00 0.00 N ATOM 809 CA SER A 57 4.703 -3.267 -5.550 1.00 0.00 C ATOM 810 C SER A 57 4.434 -1.785 -5.306 1.00 0.00 C ATOM 811 O SER A 57 3.288 -1.337 -5.334 1.00 0.00 O ATOM 812 CB SER A 57 5.129 -3.487 -7.002 1.00 0.00 C ATOM 813 OG SER A 57 4.055 -3.238 -7.892 1.00 0.00 O ATOM 0 H SER A 57 2.668 -3.524 -5.115 1.00 0.00 H new ATOM 0 HA SER A 57 5.510 -3.586 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.965 -2.830 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.481 -4.511 -7.130 1.00 0.00 H new ATOM 0 HG SER A 57 4.354 -3.384 -8.814 1.00 0.00 H new ATOM 819 N VAL A 58 5.500 -1.028 -5.067 1.00 0.00 N ATOM 820 CA VAL A 58 5.382 0.404 -4.819 1.00 0.00 C ATOM 821 C VAL A 58 6.370 1.193 -5.670 1.00 0.00 C ATOM 822 O VAL A 58 7.520 0.789 -5.839 1.00 0.00 O ATOM 823 CB VAL A 58 5.618 0.738 -3.334 1.00 0.00 C ATOM 824 CG1 VAL A 58 5.455 2.231 -3.090 1.00 0.00 C ATOM 825 CG2 VAL A 58 4.672 -0.061 -2.451 1.00 0.00 C ATOM 0 H VAL A 58 6.456 -1.383 -5.040 1.00 0.00 H new ATOM 0 HA VAL A 58 4.366 0.689 -5.090 1.00 0.00 H new ATOM 0 HB VAL A 58 6.640 0.461 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.625 2.448 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.177 2.779 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.445 2.536 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.853 0.188 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.641 0.182 -2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.843 -1.126 -2.605 1.00 0.00 H new ATOM 835 N ASN A 59 5.914 2.322 -6.204 1.00 0.00 N ATOM 836 CA ASN A 59 6.759 3.168 -7.038 1.00 0.00 C ATOM 837 C ASN A 59 7.358 2.370 -8.192 1.00 0.00 C ATOM 838 O ASN A 59 8.482 2.628 -8.621 1.00 0.00 O ATOM 839 CB ASN A 59 7.877 3.793 -6.200 1.00 0.00 C ATOM 840 CG ASN A 59 7.421 5.039 -5.466 1.00 0.00 C ATOM 841 OD1 ASN A 59 7.004 6.019 -6.083 1.00 0.00 O ATOM 842 ND2 ASN A 59 7.500 5.007 -4.141 1.00 0.00 N ATOM 0 H ASN A 59 4.965 2.671 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 59 6.138 3.962 -7.453 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.239 3.061 -5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.717 4.043 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.209 5.816 -3.593 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.852 4.173 -3.671 1.00 0.00 H new ATOM 849 N GLY A 60 6.599 1.399 -8.691 1.00 0.00 N ATOM 850 CA GLY A 60 7.071 0.579 -9.790 1.00 0.00 C ATOM 851 C GLY A 60 8.201 -0.345 -9.381 1.00 0.00 C ATOM 852 O GLY A 60 9.068 -0.674 -10.190 1.00 0.00 O ATOM 0 H GLY A 60 5.665 1.166 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.243 -0.014 -10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.409 1.224 -10.601 1.00 0.00 H new ATOM 856 N VAL A 61 8.192 -0.765 -8.119 1.00 0.00 N ATOM 857 CA VAL A 61 9.224 -1.656 -7.603 1.00 0.00 C ATOM 858 C VAL A 61 8.608 -2.857 -6.894 1.00 0.00 C ATOM 859 O VAL A 61 7.763 -2.705 -6.012 1.00 0.00 O ATOM 860 CB VAL A 61 10.162 -0.923 -6.626 1.00 0.00 C ATOM 861 CG1 VAL A 61 11.210 -1.876 -6.074 1.00 0.00 C ATOM 862 CG2 VAL A 61 10.818 0.267 -7.309 1.00 0.00 C ATOM 0 H VAL A 61 7.481 -0.502 -7.436 1.00 0.00 H new ATOM 0 HA VAL A 61 9.802 -2.000 -8.460 1.00 0.00 H new ATOM 0 HB VAL A 61 9.569 -0.551 -5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.863 -1.340 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.717 -2.692 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.802 -2.281 -6.895 1.00 0.00 H new ATOM 0 HG21 VAL A 61 11.477 0.773 -6.604 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.398 -0.079 -8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 61 10.049 0.961 -7.649 1.00 0.00 H new ATOM 872 N SER A 62 9.038 -4.053 -7.286 1.00 0.00 N ATOM 873 CA SER A 62 8.527 -5.282 -6.691 1.00 0.00 C ATOM 874 C SER A 62 8.846 -5.337 -5.200 1.00 0.00 C ATOM 875 O SER A 62 10.004 -5.219 -4.797 1.00 0.00 O ATOM 876 CB SER A 62 9.121 -6.501 -7.397 1.00 0.00 C ATOM 877 OG SER A 62 8.763 -7.701 -6.733 1.00 0.00 O ATOM 0 H SER A 62 9.739 -4.196 -8.013 1.00 0.00 H new ATOM 0 HA SER A 62 7.444 -5.293 -6.814 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.770 -6.534 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.207 -6.411 -7.432 1.00 0.00 H new ATOM 0 HG SER A 62 9.154 -8.465 -7.205 1.00 0.00 H new ATOM 883 N VAL A 63 7.812 -5.518 -4.386 1.00 0.00 N ATOM 884 CA VAL A 63 7.981 -5.590 -2.939 1.00 0.00 C ATOM 885 C VAL A 63 7.679 -6.991 -2.420 1.00 0.00 C ATOM 886 O VAL A 63 8.249 -7.429 -1.422 1.00 0.00 O ATOM 887 CB VAL A 63 7.070 -4.579 -2.216 1.00 0.00 C ATOM 888 CG1 VAL A 63 7.367 -3.163 -2.685 1.00 0.00 C ATOM 889 CG2 VAL A 63 5.606 -4.928 -2.439 1.00 0.00 C ATOM 0 H VAL A 63 6.848 -5.618 -4.703 1.00 0.00 H new ATOM 0 HA VAL A 63 9.022 -5.344 -2.729 1.00 0.00 H new ATOM 0 HB VAL A 63 7.273 -4.632 -1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.714 -2.463 -2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.407 -2.919 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.193 -3.091 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.976 -4.204 -1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.385 -4.904 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.406 -5.926 -2.049 1.00 0.00 H new ATOM 899 N GLU A 64 6.779 -7.689 -3.106 1.00 0.00 N ATOM 900 CA GLU A 64 6.401 -9.042 -2.713 1.00 0.00 C ATOM 901 C GLU A 64 7.616 -9.826 -2.226 1.00 0.00 C ATOM 902 O GLU A 64 7.548 -10.538 -1.225 1.00 0.00 O ATOM 903 CB GLU A 64 5.745 -9.773 -3.886 1.00 0.00 C ATOM 904 CG GLU A 64 4.355 -9.259 -4.222 1.00 0.00 C ATOM 905 CD GLU A 64 3.771 -9.922 -5.455 1.00 0.00 C ATOM 906 OE1 GLU A 64 3.345 -11.092 -5.355 1.00 0.00 O ATOM 907 OE2 GLU A 64 3.739 -9.270 -6.519 1.00 0.00 O ATOM 0 H GLU A 64 6.299 -7.341 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 64 5.685 -8.969 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.382 -9.676 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.684 -10.836 -3.652 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.693 -9.431 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.398 -8.181 -4.379 1.00 0.00 H new ATOM 914 N GLY A 65 8.727 -9.689 -2.942 1.00 0.00 N ATOM 915 CA GLY A 65 9.942 -10.391 -2.569 1.00 0.00 C ATOM 916 C GLY A 65 10.996 -9.462 -2.001 1.00 0.00 C ATOM 917 O GLY A 65 12.177 -9.580 -2.328 1.00 0.00 O ATOM 0 H GLY A 65 8.808 -9.104 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.703 -11.158 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.346 -10.902 -3.443 1.00 0.00 H new ATOM 921 N GLU A 66 10.570 -8.536 -1.148 1.00 0.00 N ATOM 922 CA GLU A 66 11.487 -7.582 -0.535 1.00 0.00 C ATOM 923 C GLU A 66 11.309 -7.552 0.980 1.00 0.00 C ATOM 924 O GLU A 66 10.379 -8.153 1.517 1.00 0.00 O ATOM 925 CB GLU A 66 11.265 -6.184 -1.114 1.00 0.00 C ATOM 926 CG GLU A 66 11.752 -6.033 -2.546 1.00 0.00 C ATOM 927 CD GLU A 66 11.339 -7.195 -3.428 1.00 0.00 C ATOM 928 OE1 GLU A 66 10.126 -7.481 -3.505 1.00 0.00 O ATOM 929 OE2 GLU A 66 12.230 -7.819 -4.041 1.00 0.00 O ATOM 0 H GLU A 66 9.596 -8.426 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 66 12.505 -7.902 -0.757 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.202 -5.948 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.777 -5.455 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.358 -5.107 -2.964 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.839 -5.948 -2.549 1.00 0.00 H new ATOM 936 N GLN A 67 12.207 -6.848 1.662 1.00 0.00 N ATOM 937 CA GLN A 67 12.150 -6.741 3.115 1.00 0.00 C ATOM 938 C GLN A 67 11.275 -5.566 3.539 1.00 0.00 C ATOM 939 O GLN A 67 11.314 -4.497 2.929 1.00 0.00 O ATOM 940 CB GLN A 67 13.557 -6.579 3.691 1.00 0.00 C ATOM 941 CG GLN A 67 13.574 -6.305 5.186 1.00 0.00 C ATOM 942 CD GLN A 67 14.976 -6.300 5.763 1.00 0.00 C ATOM 943 OE1 GLN A 67 15.283 -7.056 6.685 1.00 0.00 O ATOM 944 NE2 GLN A 67 15.837 -5.447 5.221 1.00 0.00 N ATOM 0 H GLN A 67 12.982 -6.344 1.232 1.00 0.00 H new ATOM 0 HA GLN A 67 11.709 -7.658 3.505 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.130 -7.484 3.489 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.060 -5.762 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.102 -5.342 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 67 12.978 -7.061 5.697 1.00 0.00 H new ATOM 0 HE21 GLN A 67 15.540 -4.838 4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 67 16.795 -5.400 5.567 1.00 0.00 H new ATOM 953 N HIS A 68 10.486 -5.771 4.589 1.00 0.00 N ATOM 954 CA HIS A 68 9.601 -4.727 5.096 1.00 0.00 C ATOM 955 C HIS A 68 10.257 -3.355 4.979 1.00 0.00 C ATOM 956 O HIS A 68 9.705 -2.444 4.363 1.00 0.00 O ATOM 957 CB HIS A 68 9.230 -5.007 6.552 1.00 0.00 C ATOM 958 CG HIS A 68 8.209 -4.060 7.103 1.00 0.00 C ATOM 959 ND1 HIS A 68 7.228 -4.444 7.993 1.00 0.00 N ATOM 960 CD2 HIS A 68 8.020 -2.737 6.886 1.00 0.00 C ATOM 961 CE1 HIS A 68 6.480 -3.399 8.298 1.00 0.00 C ATOM 962 NE2 HIS A 68 6.940 -2.351 7.640 1.00 0.00 N ATOM 0 H HIS A 68 10.441 -6.650 5.105 1.00 0.00 H new ATOM 0 HA HIS A 68 8.694 -4.728 4.492 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.849 -6.025 6.632 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.130 -4.954 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.609 -2.103 6.240 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.636 -3.401 8.971 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.555 -1.407 7.685 1.00 0.00 H new ATOM 970 N GLU A 69 11.436 -3.215 5.577 1.00 0.00 N ATOM 971 CA GLU A 69 12.166 -1.953 5.540 1.00 0.00 C ATOM 972 C GLU A 69 12.058 -1.302 4.165 1.00 0.00 C ATOM 973 O GLU A 69 11.704 -0.129 4.046 1.00 0.00 O ATOM 974 CB GLU A 69 13.636 -2.178 5.897 1.00 0.00 C ATOM 975 CG GLU A 69 14.439 -0.893 6.007 1.00 0.00 C ATOM 976 CD GLU A 69 14.249 -0.199 7.342 1.00 0.00 C ATOM 977 OE1 GLU A 69 14.139 -0.904 8.366 1.00 0.00 O ATOM 978 OE2 GLU A 69 14.210 1.049 7.362 1.00 0.00 O ATOM 0 H GLU A 69 11.906 -3.959 6.092 1.00 0.00 H new ATOM 0 HA GLU A 69 11.720 -1.283 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.693 -2.714 6.844 1.00 0.00 H new ATOM 0 HB3 GLU A 69 14.091 -2.817 5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.496 -1.116 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.146 -0.216 5.205 1.00 0.00 H new ATOM 985 N LYS A 70 12.367 -2.072 3.127 1.00 0.00 N ATOM 986 CA LYS A 70 12.305 -1.573 1.758 1.00 0.00 C ATOM 987 C LYS A 70 10.979 -0.866 1.496 1.00 0.00 C ATOM 988 O LYS A 70 10.950 0.326 1.190 1.00 0.00 O ATOM 989 CB LYS A 70 12.487 -2.723 0.765 1.00 0.00 C ATOM 990 CG LYS A 70 12.929 -2.270 -0.616 1.00 0.00 C ATOM 991 CD LYS A 70 13.731 -3.348 -1.326 1.00 0.00 C ATOM 992 CE LYS A 70 14.051 -2.951 -2.759 1.00 0.00 C ATOM 993 NZ LYS A 70 15.088 -1.884 -2.821 1.00 0.00 N ATOM 0 H LYS A 70 12.663 -3.045 3.208 1.00 0.00 H new ATOM 0 HA LYS A 70 13.113 -0.854 1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.223 -3.422 1.162 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.547 -3.267 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.054 -2.013 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.531 -1.366 -0.528 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.658 -3.531 -0.782 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.170 -4.282 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.397 -3.826 -3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.143 -2.603 -3.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.278 -1.642 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.748 -1.040 -2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.963 -2.224 -2.374 1.00 0.00 H new ATOM 1007 N ALA A 71 9.884 -1.608 1.619 1.00 0.00 N ATOM 1008 CA ALA A 71 8.555 -1.051 1.399 1.00 0.00 C ATOM 1009 C ALA A 71 8.453 0.364 1.961 1.00 0.00 C ATOM 1010 O ALA A 71 8.190 1.316 1.227 1.00 0.00 O ATOM 1011 CB ALA A 71 7.497 -1.947 2.025 1.00 0.00 C ATOM 0 H ALA A 71 9.891 -2.597 1.870 1.00 0.00 H new ATOM 0 HA ALA A 71 8.382 -1.000 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.509 -1.519 1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 71 7.546 -2.938 1.574 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.676 -2.027 3.097 1.00 0.00 H new ATOM 1017 N VAL A 72 8.661 0.493 3.267 1.00 0.00 N ATOM 1018 CA VAL A 72 8.592 1.791 3.928 1.00 0.00 C ATOM 1019 C VAL A 72 9.510 2.802 3.249 1.00 0.00 C ATOM 1020 O VAL A 72 9.152 3.968 3.086 1.00 0.00 O ATOM 1021 CB VAL A 72 8.975 1.685 5.416 1.00 0.00 C ATOM 1022 CG1 VAL A 72 8.952 3.057 6.072 1.00 0.00 C ATOM 1023 CG2 VAL A 72 8.043 0.724 6.138 1.00 0.00 C ATOM 0 H VAL A 72 8.879 -0.286 3.889 1.00 0.00 H new ATOM 0 HA VAL A 72 7.559 2.131 3.850 1.00 0.00 H new ATOM 0 HB VAL A 72 9.990 1.293 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.225 2.962 7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.663 3.712 5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.951 3.481 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.328 0.661 7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.017 1.085 6.061 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.115 -0.264 5.683 1.00 0.00 H new ATOM 1033 N GLU A 73 10.695 2.346 2.855 1.00 0.00 N ATOM 1034 CA GLU A 73 11.664 3.212 2.194 1.00 0.00 C ATOM 1035 C GLU A 73 11.108 3.746 0.877 1.00 0.00 C ATOM 1036 O GLU A 73 11.236 4.933 0.572 1.00 0.00 O ATOM 1037 CB GLU A 73 12.968 2.453 1.938 1.00 0.00 C ATOM 1038 CG GLU A 73 13.650 1.970 3.207 1.00 0.00 C ATOM 1039 CD GLU A 73 14.626 2.986 3.768 1.00 0.00 C ATOM 1040 OE1 GLU A 73 14.167 4.002 4.330 1.00 0.00 O ATOM 1041 OE2 GLU A 73 15.849 2.765 3.643 1.00 0.00 O ATOM 0 H GLU A 73 11.007 1.383 2.982 1.00 0.00 H new ATOM 0 HA GLU A 73 11.866 4.057 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.760 1.595 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.654 3.100 1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.893 1.745 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.179 1.040 2.999 1.00 0.00 H new ATOM 1048 N LEU A 74 10.490 2.863 0.101 1.00 0.00 N ATOM 1049 CA LEU A 74 9.913 3.244 -1.184 1.00 0.00 C ATOM 1050 C LEU A 74 8.972 4.434 -1.026 1.00 0.00 C ATOM 1051 O LEU A 74 9.148 5.468 -1.673 1.00 0.00 O ATOM 1052 CB LEU A 74 9.161 2.062 -1.798 1.00 0.00 C ATOM 1053 CG LEU A 74 9.932 0.744 -1.878 1.00 0.00 C ATOM 1054 CD1 LEU A 74 8.985 -0.412 -2.161 1.00 0.00 C ATOM 1055 CD2 LEU A 74 11.014 0.823 -2.946 1.00 0.00 C ATOM 0 H LEU A 74 10.375 1.878 0.339 1.00 0.00 H new ATOM 0 HA LEU A 74 10.727 3.533 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.253 1.894 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.849 2.339 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 74 10.412 0.567 -0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.551 -1.342 -2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.247 -0.482 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.477 -0.242 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.553 -0.124 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.556 1.024 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 74 11.710 1.625 -2.700 1.00 0.00 H new ATOM 1067 N LEU A 75 7.975 4.283 -0.162 1.00 0.00 N ATOM 1068 CA LEU A 75 7.007 5.346 0.083 1.00 0.00 C ATOM 1069 C LEU A 75 7.705 6.694 0.237 1.00 0.00 C ATOM 1070 O LEU A 75 7.268 7.699 -0.322 1.00 0.00 O ATOM 1071 CB LEU A 75 6.187 5.038 1.337 1.00 0.00 C ATOM 1072 CG LEU A 75 5.137 3.935 1.198 1.00 0.00 C ATOM 1073 CD1 LEU A 75 4.904 3.248 2.535 1.00 0.00 C ATOM 1074 CD2 LEU A 75 3.835 4.504 0.655 1.00 0.00 C ATOM 0 H LEU A 75 7.816 3.434 0.381 1.00 0.00 H new ATOM 0 HA LEU A 75 6.339 5.399 -0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.874 4.760 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.685 5.953 1.652 1.00 0.00 H new ATOM 0 HG LEU A 75 5.509 3.193 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.154 2.466 2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.837 2.806 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.554 3.979 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.099 3.705 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.459 5.267 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.013 4.949 -0.324 1.00 0.00 H new ATOM 1086 N LYS A 76 8.795 6.706 0.997 1.00 0.00 N ATOM 1087 CA LYS A 76 9.557 7.928 1.222 1.00 0.00 C ATOM 1088 C LYS A 76 10.312 8.339 -0.038 1.00 0.00 C ATOM 1089 O LYS A 76 10.314 9.510 -0.417 1.00 0.00 O ATOM 1090 CB LYS A 76 10.541 7.734 2.378 1.00 0.00 C ATOM 1091 CG LYS A 76 9.870 7.626 3.737 1.00 0.00 C ATOM 1092 CD LYS A 76 10.761 6.917 4.743 1.00 0.00 C ATOM 1093 CE LYS A 76 10.347 7.232 6.173 1.00 0.00 C ATOM 1094 NZ LYS A 76 10.852 6.213 7.134 1.00 0.00 N ATOM 0 H LYS A 76 9.170 5.883 1.468 1.00 0.00 H new ATOM 0 HA LYS A 76 8.855 8.722 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.126 6.832 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.240 8.570 2.393 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.627 8.623 4.104 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.929 7.085 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.713 5.841 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.797 7.218 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.727 8.215 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.260 7.281 6.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.549 6.463 8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.470 5.279 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.891 6.184 7.095 1.00 0.00 H new ATOM 1108 N ALA A 77 10.949 7.368 -0.684 1.00 0.00 N ATOM 1109 CA ALA A 77 11.704 7.629 -1.903 1.00 0.00 C ATOM 1110 C ALA A 77 10.947 8.579 -2.824 1.00 0.00 C ATOM 1111 O ALA A 77 11.534 9.487 -3.413 1.00 0.00 O ATOM 1112 CB ALA A 77 12.010 6.324 -2.623 1.00 0.00 C ATOM 0 H ALA A 77 10.957 6.393 -0.383 1.00 0.00 H new ATOM 0 HA ALA A 77 12.643 8.107 -1.625 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.574 6.533 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.598 5.678 -1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.077 5.824 -2.883 1.00 0.00 H new ATOM 1118 N ALA A 78 9.641 8.364 -2.945 1.00 0.00 N ATOM 1119 CA ALA A 78 8.804 9.203 -3.794 1.00 0.00 C ATOM 1120 C ALA A 78 8.891 10.667 -3.376 1.00 0.00 C ATOM 1121 O ALA A 78 8.912 10.981 -2.187 1.00 0.00 O ATOM 1122 CB ALA A 78 7.360 8.724 -3.749 1.00 0.00 C ATOM 0 H ALA A 78 9.140 7.616 -2.466 1.00 0.00 H new ATOM 0 HA ALA A 78 9.171 9.122 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.746 9.359 -4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.307 7.694 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.992 8.775 -2.724 1.00 0.00 H new ATOM 1128 N GLN A 79 8.942 11.557 -4.362 1.00 0.00 N ATOM 1129 CA GLN A 79 9.028 12.988 -4.095 1.00 0.00 C ATOM 1130 C GLN A 79 7.726 13.690 -4.466 1.00 0.00 C ATOM 1131 O GLN A 79 7.311 14.640 -3.803 1.00 0.00 O ATOM 1132 CB GLN A 79 10.192 13.604 -4.873 1.00 0.00 C ATOM 1133 CG GLN A 79 9.814 14.066 -6.271 1.00 0.00 C ATOM 1134 CD GLN A 79 9.342 15.506 -6.301 1.00 0.00 C ATOM 1135 OE1 GLN A 79 8.649 15.964 -5.392 1.00 0.00 O ATOM 1136 NE2 GLN A 79 9.715 16.229 -7.350 1.00 0.00 N ATOM 0 H GLN A 79 8.925 11.313 -5.352 1.00 0.00 H new ATOM 0 HA GLN A 79 9.201 13.123 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.584 14.453 -4.313 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.996 12.872 -4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.674 13.956 -6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.027 13.421 -6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.290 15.809 -8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.427 17.205 -7.425 1.00 0.00 H new ATOM 1145 N GLY A 80 7.085 13.216 -5.530 1.00 0.00 N ATOM 1146 CA GLY A 80 5.837 13.811 -5.970 1.00 0.00 C ATOM 1147 C GLY A 80 4.634 12.955 -5.626 1.00 0.00 C ATOM 1148 O GLY A 80 3.702 13.418 -4.969 1.00 0.00 O ATOM 0 H GLY A 80 7.408 12.431 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.724 14.793 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.872 13.966 -7.048 1.00 0.00 H new ATOM 1152 N SER A 81 4.652 11.703 -6.073 1.00 0.00 N ATOM 1153 CA SER A 81 3.552 10.782 -5.814 1.00 0.00 C ATOM 1154 C SER A 81 4.056 9.345 -5.723 1.00 0.00 C ATOM 1155 O SER A 81 5.155 9.030 -6.181 1.00 0.00 O ATOM 1156 CB SER A 81 2.495 10.895 -6.914 1.00 0.00 C ATOM 1157 OG SER A 81 3.020 10.498 -8.169 1.00 0.00 O ATOM 0 H SER A 81 5.417 11.303 -6.617 1.00 0.00 H new ATOM 0 HA SER A 81 3.102 11.052 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.636 10.273 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.137 11.923 -6.975 1.00 0.00 H new ATOM 0 HG SER A 81 2.324 10.578 -8.855 1.00 0.00 H new ATOM 1163 N VAL A 82 3.245 8.476 -5.129 1.00 0.00 N ATOM 1164 CA VAL A 82 3.606 7.072 -4.978 1.00 0.00 C ATOM 1165 C VAL A 82 2.607 6.167 -5.691 1.00 0.00 C ATOM 1166 O VAL A 82 1.396 6.371 -5.604 1.00 0.00 O ATOM 1167 CB VAL A 82 3.680 6.667 -3.494 1.00 0.00 C ATOM 1168 CG1 VAL A 82 4.834 7.378 -2.803 1.00 0.00 C ATOM 1169 CG2 VAL A 82 2.363 6.968 -2.794 1.00 0.00 C ATOM 0 H VAL A 82 2.332 8.720 -4.744 1.00 0.00 H new ATOM 0 HA VAL A 82 4.590 6.949 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 82 3.859 5.593 -3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.870 7.079 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.771 7.109 -3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.688 8.456 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.433 6.676 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.152 8.035 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.560 6.409 -3.274 1.00 0.00 H new ATOM 1179 N LYS A 83 3.123 5.166 -6.396 1.00 0.00 N ATOM 1180 CA LYS A 83 2.277 4.227 -7.123 1.00 0.00 C ATOM 1181 C LYS A 83 2.198 2.889 -6.395 1.00 0.00 C ATOM 1182 O LYS A 83 3.122 2.078 -6.463 1.00 0.00 O ATOM 1183 CB LYS A 83 2.815 4.017 -8.541 1.00 0.00 C ATOM 1184 CG LYS A 83 2.251 4.997 -9.556 1.00 0.00 C ATOM 1185 CD LYS A 83 3.160 5.129 -10.767 1.00 0.00 C ATOM 1186 CE LYS A 83 3.022 3.936 -11.700 1.00 0.00 C ATOM 1187 NZ LYS A 83 4.238 3.745 -12.538 1.00 0.00 N ATOM 0 H LYS A 83 4.123 4.984 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 83 1.274 4.649 -7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.901 4.107 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.584 3.001 -8.862 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.264 4.664 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.122 5.973 -9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.918 6.044 -11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.195 5.217 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.840 3.035 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.155 4.078 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.105 2.922 -13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.398 4.594 -13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.061 3.585 -11.923 1.00 0.00 H new ATOM 1201 N LEU A 84 1.088 2.664 -5.700 1.00 0.00 N ATOM 1202 CA LEU A 84 0.888 1.423 -4.961 1.00 0.00 C ATOM 1203 C LEU A 84 0.018 0.452 -5.752 1.00 0.00 C ATOM 1204 O LEU A 84 -1.183 0.669 -5.916 1.00 0.00 O ATOM 1205 CB LEU A 84 0.243 1.713 -3.604 1.00 0.00 C ATOM 1206 CG LEU A 84 0.875 2.842 -2.788 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -0.165 3.505 -1.899 1.00 0.00 C ATOM 1208 CD2 LEU A 84 2.033 2.313 -1.954 1.00 0.00 C ATOM 0 H LEU A 84 0.314 3.324 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 84 1.863 0.962 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.807 1.954 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.272 0.801 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 84 1.263 3.591 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.303 4.306 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.961 3.919 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.583 2.766 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.471 3.130 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.669 1.544 -1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.790 1.885 -2.612 1.00 0.00 H new ATOM 1220 N VAL A 85 0.631 -0.622 -6.239 1.00 0.00 N ATOM 1221 CA VAL A 85 -0.088 -1.629 -7.011 1.00 0.00 C ATOM 1222 C VAL A 85 -0.672 -2.705 -6.102 1.00 0.00 C ATOM 1223 O VAL A 85 0.062 -3.458 -5.463 1.00 0.00 O ATOM 1224 CB VAL A 85 0.828 -2.296 -8.054 1.00 0.00 C ATOM 1225 CG1 VAL A 85 0.071 -3.371 -8.820 1.00 0.00 C ATOM 1226 CG2 VAL A 85 1.398 -1.255 -9.005 1.00 0.00 C ATOM 0 H VAL A 85 1.624 -0.817 -6.113 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.898 -1.114 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 85 1.658 -2.772 -7.532 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.734 -3.831 -9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.285 -4.131 -8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.780 -2.922 -9.333 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.043 -1.744 -9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.583 -0.749 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.978 -0.525 -8.440 1.00 0.00 H new ATOM 1236 N VAL A 86 -1.999 -2.771 -6.049 1.00 0.00 N ATOM 1237 CA VAL A 86 -2.683 -3.755 -5.219 1.00 0.00 C ATOM 1238 C VAL A 86 -3.419 -4.779 -6.075 1.00 0.00 C ATOM 1239 O VAL A 86 -3.597 -4.584 -7.278 1.00 0.00 O ATOM 1240 CB VAL A 86 -3.687 -3.083 -4.264 1.00 0.00 C ATOM 1241 CG1 VAL A 86 -3.016 -1.961 -3.487 1.00 0.00 C ATOM 1242 CG2 VAL A 86 -4.891 -2.564 -5.035 1.00 0.00 C ATOM 0 H VAL A 86 -2.621 -2.154 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.917 -4.261 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.037 -3.828 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.741 -1.498 -2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.190 -2.366 -2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.636 -1.213 -4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -5.590 -2.092 -4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.562 -1.833 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -5.385 -3.394 -5.540 1.00 0.00 H new ATOM 1252 N ARG A 87 -3.846 -5.870 -5.448 1.00 0.00 N ATOM 1253 CA ARG A 87 -4.564 -6.925 -6.153 1.00 0.00 C ATOM 1254 C ARG A 87 -6.071 -6.779 -5.963 1.00 0.00 C ATOM 1255 O ARG A 87 -6.563 -6.737 -4.835 1.00 0.00 O ATOM 1256 CB ARG A 87 -4.108 -8.299 -5.658 1.00 0.00 C ATOM 1257 CG ARG A 87 -4.578 -9.449 -6.534 1.00 0.00 C ATOM 1258 CD ARG A 87 -3.620 -10.628 -6.467 1.00 0.00 C ATOM 1259 NE ARG A 87 -3.780 -11.528 -7.606 1.00 0.00 N ATOM 1260 CZ ARG A 87 -2.822 -12.339 -8.042 1.00 0.00 C ATOM 1261 NH1 ARG A 87 -1.642 -12.361 -7.438 1.00 0.00 N ATOM 1262 NH2 ARG A 87 -3.044 -13.129 -9.085 1.00 0.00 N ATOM 0 H ARG A 87 -3.707 -6.047 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.339 -6.835 -7.216 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.019 -8.314 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.477 -8.451 -4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.571 -9.767 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.667 -9.109 -7.566 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.594 -10.260 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -3.788 -11.180 -5.542 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.676 -11.534 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.468 -11.754 -6.637 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.908 -12.984 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.950 -13.114 -9.552 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.308 -13.751 -9.419 1.00 0.00 H new ATOM 1276 N SER A 88 -6.797 -6.701 -7.073 1.00 0.00 N ATOM 1277 CA SER A 88 -8.247 -6.554 -7.029 1.00 0.00 C ATOM 1278 C SER A 88 -8.925 -7.599 -7.910 1.00 0.00 C ATOM 1279 O SER A 88 -8.332 -8.105 -8.862 1.00 0.00 O ATOM 1280 CB SER A 88 -8.653 -5.150 -7.480 1.00 0.00 C ATOM 1281 OG SER A 88 -10.044 -5.080 -7.742 1.00 0.00 O ATOM 0 H SER A 88 -6.405 -6.737 -8.014 1.00 0.00 H new ATOM 0 HA SER A 88 -8.572 -6.705 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.388 -4.426 -6.709 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.097 -4.878 -8.377 1.00 0.00 H new ATOM 0 HG SER A 88 -10.278 -4.172 -8.027 1.00 0.00 H new ATOM 1287 N GLY A 89 -10.175 -7.918 -7.585 1.00 0.00 N ATOM 1288 CA GLY A 89 -10.914 -8.900 -8.355 1.00 0.00 C ATOM 1289 C GLY A 89 -11.008 -10.239 -7.650 1.00 0.00 C ATOM 1290 O GLY A 89 -11.748 -10.404 -6.681 1.00 0.00 O ATOM 0 H GLY A 89 -10.688 -7.513 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.918 -8.524 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.432 -9.036 -9.323 1.00 0.00 H new ATOM 1294 N PRO A 90 -10.243 -11.226 -8.142 1.00 0.00 N ATOM 1295 CA PRO A 90 -10.227 -12.575 -7.568 1.00 0.00 C ATOM 1296 C PRO A 90 -9.564 -12.612 -6.195 1.00 0.00 C ATOM 1297 O PRO A 90 -8.358 -12.398 -6.071 1.00 0.00 O ATOM 1298 CB PRO A 90 -9.407 -13.380 -8.579 1.00 0.00 C ATOM 1299 CG PRO A 90 -8.538 -12.373 -9.250 1.00 0.00 C ATOM 1300 CD PRO A 90 -9.336 -11.100 -9.295 1.00 0.00 C ATOM 0 HA PRO A 90 -11.233 -12.963 -7.409 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.813 -14.149 -8.084 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -10.051 -13.888 -9.297 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.608 -12.231 -8.699 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.267 -12.699 -10.254 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.697 -10.221 -9.209 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.886 -11.003 -10.231 1.00 0.00 H new ATOM 1308 N SER A 91 -10.360 -12.887 -5.166 1.00 0.00 N ATOM 1309 CA SER A 91 -9.850 -12.949 -3.801 1.00 0.00 C ATOM 1310 C SER A 91 -9.988 -14.359 -3.234 1.00 0.00 C ATOM 1311 O SER A 91 -10.731 -15.184 -3.766 1.00 0.00 O ATOM 1312 CB SER A 91 -10.595 -11.953 -2.910 1.00 0.00 C ATOM 1313 OG SER A 91 -10.539 -10.644 -3.450 1.00 0.00 O ATOM 0 H SER A 91 -11.360 -13.070 -5.252 1.00 0.00 H new ATOM 0 HA SER A 91 -8.792 -12.686 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.635 -12.262 -2.805 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.158 -11.957 -1.911 1.00 0.00 H new ATOM 0 HG SER A 91 -11.024 -10.027 -2.863 1.00 0.00 H new ATOM 1319 N SER A 92 -9.266 -14.627 -2.151 1.00 0.00 N ATOM 1320 CA SER A 92 -9.304 -15.938 -1.512 1.00 0.00 C ATOM 1321 C SER A 92 -10.711 -16.261 -1.018 1.00 0.00 C ATOM 1322 O SER A 92 -11.465 -15.369 -0.631 1.00 0.00 O ATOM 1323 CB SER A 92 -8.317 -15.988 -0.344 1.00 0.00 C ATOM 1324 OG SER A 92 -8.783 -15.220 0.751 1.00 0.00 O ATOM 0 H SER A 92 -8.648 -13.954 -1.697 1.00 0.00 H new ATOM 0 HA SER A 92 -9.018 -16.685 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.171 -17.022 -0.031 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.346 -15.613 -0.668 1.00 0.00 H new ATOM 0 HG SER A 92 -8.135 -15.270 1.485 1.00 0.00 H new ATOM 1330 N GLY A 93 -11.057 -17.544 -1.035 1.00 0.00 N ATOM 1331 CA GLY A 93 -12.372 -17.964 -0.587 1.00 0.00 C ATOM 1332 C GLY A 93 -12.485 -19.470 -0.452 1.00 0.00 C ATOM 1333 O GLY A 93 -12.516 -19.999 0.659 1.00 0.00 O ATOM 0 H GLY A 93 -10.450 -18.301 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.591 -17.499 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.123 -17.608 -1.292 1.00 0.00 H new TER 1337 GLY A 93