USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 834 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 83 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.8) USER MOD Set 1.2: A 85 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.25 X(o=-9.8,f=-9.5) USER MOD Set 2.2: A 70 HIS : no HE2:sc= -9.53! C(o=-9.8!,f=-10!) USER MOD Set 3.1: A 51 TYR OH : rot 30:sc= 0.189 USER MOD Set 3.2: A 63 THR OG1 : rot 74:sc= 0.0815 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.0236 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 53:sc= 0.0563 USER MOD Single : A 7 ASN : amide:sc= -0.153 K(o=-0.15,f=-2!) USER MOD Single : A 10 ASN : amide:sc= -0.0944 X(o=-0.094,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 136:sc=-0.00148 (180deg=-0.296) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= -2.19 (180deg=-2.72!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -150:sc= 0.599 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 48 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.68) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot -34:sc= -0.879 USER MOD Single : A 56 SER OG : rot -53:sc= 0.0035 USER MOD Single : A 59 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.44) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 65:sc= 0.933 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.462 K(o=-0.46,f=-1.4) USER MOD Single : A 82 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.56 K(o=-1.6,f=-0.63) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 53:sc= 1.11 USER MOD Single : A 101 ASN : amide:sc= -0.165 K(o=-0.17,f=-1.7!) USER MOD Single : A 102 MET CE :methyl -135:sc= -0.186 (180deg=-0.869) USER MOD Single : A 104 ASN : amide:sc=-0.00837 X(o=-0.0084,f=-0.31) USER MOD Single : A 105 ASN : amide:sc= -0.455 K(o=-0.46,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -38.510 -13.349 24.454 1.00 0.00 N ATOM 2 CA GLY A 1 -39.250 -13.762 25.679 1.00 0.00 C ATOM 3 C GLY A 1 -39.222 -15.264 25.896 1.00 0.00 C ATOM 4 O GLY A 1 -39.142 -16.029 24.934 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.009 -12.559 23.997 1.00 0.00 H new ATOM 0 H2 GLY A 1 -37.549 -13.048 24.714 1.00 0.00 H new ATOM 0 H3 GLY A 1 -38.455 -14.151 23.795 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.816 -13.265 26.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -40.285 -13.428 25.604 1.00 0.00 H new ATOM 10 N PRO A 2 -39.287 -15.720 27.157 1.00 0.00 N ATOM 11 CA PRO A 2 -39.268 -17.150 27.484 1.00 0.00 C ATOM 12 C PRO A 2 -40.317 -17.935 26.704 1.00 0.00 C ATOM 13 O PRO A 2 -41.179 -17.354 26.044 1.00 0.00 O ATOM 14 CB PRO A 2 -39.582 -17.180 28.981 1.00 0.00 C ATOM 15 CG PRO A 2 -39.140 -15.850 29.486 1.00 0.00 C ATOM 16 CD PRO A 2 -39.385 -14.878 28.365 1.00 0.00 C ATOM 0 HA PRO A 2 -38.315 -17.613 27.227 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -40.646 -17.338 29.160 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -39.051 -17.990 29.481 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -39.699 -15.566 30.378 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -38.086 -15.869 29.763 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -40.364 -14.407 28.448 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -38.645 -14.077 28.358 1.00 0.00 H new ATOM 24 N GLY A 3 -40.240 -19.259 26.783 1.00 0.00 N ATOM 25 CA GLY A 3 -41.189 -20.101 26.080 1.00 0.00 C ATOM 26 C GLY A 3 -40.893 -21.578 26.253 1.00 0.00 C ATOM 27 O GLY A 3 -41.809 -22.389 26.389 1.00 0.00 O ATOM 0 H GLY A 3 -39.537 -19.764 27.322 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -42.195 -19.890 26.443 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -41.174 -19.852 25.019 1.00 0.00 H new ATOM 31 N SER A 4 -39.612 -21.928 26.246 1.00 0.00 N ATOM 32 CA SER A 4 -39.197 -23.317 26.404 1.00 0.00 C ATOM 33 C SER A 4 -39.598 -23.855 27.774 1.00 0.00 C ATOM 34 O SER A 4 -39.849 -23.085 28.703 1.00 0.00 O ATOM 35 CB SER A 4 -37.685 -23.446 26.215 1.00 0.00 C ATOM 36 OG SER A 4 -37.332 -23.357 24.846 1.00 0.00 O ATOM 0 H SER A 4 -38.842 -21.269 26.133 1.00 0.00 H new ATOM 0 HA SER A 4 -39.703 -23.908 25.640 1.00 0.00 H new ATOM 0 HB2 SER A 4 -37.177 -22.662 26.776 1.00 0.00 H new ATOM 0 HB3 SER A 4 -37.345 -24.399 26.620 1.00 0.00 H new ATOM 0 HG SER A 4 -36.360 -23.441 24.753 1.00 0.00 H new ATOM 42 N LEU A 5 -39.655 -25.176 27.893 1.00 0.00 N ATOM 43 CA LEU A 5 -40.023 -25.817 29.151 1.00 0.00 C ATOM 44 C LEU A 5 -38.952 -26.811 29.588 1.00 0.00 C ATOM 45 O LEU A 5 -38.525 -26.809 30.742 1.00 0.00 O ATOM 46 CB LEU A 5 -41.373 -26.524 29.009 1.00 0.00 C ATOM 47 CG LEU A 5 -42.566 -25.766 29.590 1.00 0.00 C ATOM 48 CD1 LEU A 5 -43.865 -26.499 29.291 1.00 0.00 C ATOM 49 CD2 LEU A 5 -42.396 -25.574 31.090 1.00 0.00 C ATOM 0 H LEU A 5 -39.451 -25.825 27.133 1.00 0.00 H new ATOM 0 HA LEU A 5 -40.106 -25.045 29.916 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -41.560 -26.708 27.951 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -41.309 -27.497 29.495 1.00 0.00 H new ATOM 0 HG LEU A 5 -42.610 -24.784 29.119 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -44.702 -25.943 29.713 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -43.994 -26.585 28.212 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -43.831 -27.495 29.733 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -43.255 -25.032 31.487 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -42.325 -26.547 31.576 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -41.487 -25.005 31.283 1.00 0.00 H new ATOM 61 N SER A 6 -38.527 -27.661 28.659 1.00 0.00 N ATOM 62 CA SER A 6 -37.507 -28.662 28.950 1.00 0.00 C ATOM 63 C SER A 6 -37.006 -29.317 27.666 1.00 0.00 C ATOM 64 O SER A 6 -37.530 -30.346 27.238 1.00 0.00 O ATOM 65 CB SER A 6 -38.063 -29.725 29.899 1.00 0.00 C ATOM 66 OG SER A 6 -37.466 -29.628 31.181 1.00 0.00 O ATOM 0 H SER A 6 -38.873 -27.677 27.699 1.00 0.00 H new ATOM 0 HA SER A 6 -36.667 -28.161 29.431 1.00 0.00 H new ATOM 0 HB2 SER A 6 -39.143 -29.608 29.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.883 -30.717 29.485 1.00 0.00 H new ATOM 0 HG SER A 6 -37.557 -28.711 31.516 1.00 0.00 H new ATOM 72 N ASN A 7 -35.990 -28.714 27.057 1.00 0.00 N ATOM 73 CA ASN A 7 -35.419 -29.237 25.822 1.00 0.00 C ATOM 74 C ASN A 7 -34.021 -29.797 26.064 1.00 0.00 C ATOM 75 O ASN A 7 -33.129 -29.650 25.229 1.00 0.00 O ATOM 76 CB ASN A 7 -35.366 -28.142 24.755 1.00 0.00 C ATOM 77 CG ASN A 7 -35.775 -28.650 23.385 1.00 0.00 C ATOM 78 OD1 ASN A 7 -35.953 -29.852 23.183 1.00 0.00 O ATOM 79 ND2 ASN A 7 -35.925 -27.734 22.436 1.00 0.00 N ATOM 0 H ASN A 7 -35.545 -27.862 27.399 1.00 0.00 H new ATOM 0 HA ASN A 7 -36.059 -30.046 25.469 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -36.023 -27.322 25.047 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -34.355 -27.738 24.703 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -36.198 -28.015 21.494 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -35.767 -26.749 22.648 1.00 0.00 H new ATOM 86 N PHE A 8 -33.837 -30.438 27.214 1.00 0.00 N ATOM 87 CA PHE A 8 -32.547 -31.020 27.567 1.00 0.00 C ATOM 88 C PHE A 8 -32.498 -32.500 27.198 1.00 0.00 C ATOM 89 O PHE A 8 -33.451 -33.042 26.640 1.00 0.00 O ATOM 90 CB PHE A 8 -32.277 -30.846 29.062 1.00 0.00 C ATOM 91 CG PHE A 8 -31.712 -29.500 29.418 1.00 0.00 C ATOM 92 CD1 PHE A 8 -30.562 -29.033 28.803 1.00 0.00 C ATOM 93 CD2 PHE A 8 -32.332 -28.703 30.367 1.00 0.00 C ATOM 94 CE1 PHE A 8 -30.040 -27.795 29.128 1.00 0.00 C ATOM 95 CE2 PHE A 8 -31.813 -27.465 30.696 1.00 0.00 C ATOM 96 CZ PHE A 8 -30.666 -27.010 30.076 1.00 0.00 C ATOM 0 H PHE A 8 -34.565 -30.567 27.917 1.00 0.00 H new ATOM 0 HA PHE A 8 -31.775 -30.498 27.002 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -33.207 -30.997 29.611 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -31.584 -31.620 29.390 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -30.068 -29.643 28.061 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -33.230 -29.053 30.855 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -29.143 -27.442 28.641 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -32.305 -26.853 31.438 1.00 0.00 H new ATOM 0 HZ PHE A 8 -30.260 -26.043 30.332 1.00 0.00 H new ATOM 106 N ALA A 9 -31.379 -33.145 27.516 1.00 0.00 N ATOM 107 CA ALA A 9 -31.200 -34.563 27.221 1.00 0.00 C ATOM 108 C ALA A 9 -31.231 -34.821 25.717 1.00 0.00 C ATOM 109 O ALA A 9 -30.186 -34.964 25.082 1.00 0.00 O ATOM 110 CB ALA A 9 -32.265 -35.390 27.927 1.00 0.00 C ATOM 0 H ALA A 9 -30.582 -32.708 27.978 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.220 -34.864 27.592 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -32.118 -36.445 27.697 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -32.188 -35.239 29.004 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -33.253 -35.079 27.586 1.00 0.00 H new ATOM 116 N ASN A 10 -32.432 -34.881 25.152 1.00 0.00 N ATOM 117 CA ASN A 10 -32.595 -35.122 23.724 1.00 0.00 C ATOM 118 C ASN A 10 -32.779 -33.810 22.968 1.00 0.00 C ATOM 119 O ASN A 10 -33.602 -32.976 23.347 1.00 0.00 O ATOM 120 CB ASN A 10 -33.792 -36.041 23.473 1.00 0.00 C ATOM 121 CG ASN A 10 -33.630 -36.871 22.214 1.00 0.00 C ATOM 122 OD1 ASN A 10 -33.440 -38.084 22.276 1.00 0.00 O ATOM 123 ND2 ASN A 10 -33.705 -36.215 21.062 1.00 0.00 N ATOM 0 H ASN A 10 -33.308 -34.766 25.662 1.00 0.00 H new ATOM 0 HA ASN A 10 -31.690 -35.608 23.358 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -33.923 -36.704 24.328 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -34.698 -35.440 23.395 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -33.604 -36.719 20.181 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -33.864 -35.207 21.058 1.00 0.00 H new ATOM 130 N VAL A 11 -32.009 -33.635 21.899 1.00 0.00 N ATOM 131 CA VAL A 11 -32.089 -32.425 21.090 1.00 0.00 C ATOM 132 C VAL A 11 -31.719 -32.709 19.639 1.00 0.00 C ATOM 133 O VAL A 11 -32.424 -32.299 18.717 1.00 0.00 O ATOM 134 CB VAL A 11 -31.164 -31.322 21.637 1.00 0.00 C ATOM 135 CG1 VAL A 11 -31.745 -30.715 22.905 1.00 0.00 C ATOM 136 CG2 VAL A 11 -29.770 -31.874 21.893 1.00 0.00 C ATOM 0 H VAL A 11 -31.323 -34.316 21.573 1.00 0.00 H new ATOM 0 HA VAL A 11 -33.122 -32.080 21.138 1.00 0.00 H new ATOM 0 HB VAL A 11 -31.087 -30.534 20.888 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -31.077 -29.938 23.276 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -32.721 -30.281 22.687 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -31.855 -31.491 23.663 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -29.130 -31.081 22.279 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -29.827 -32.682 22.622 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -29.353 -32.255 20.961 1.00 0.00 H new ATOM 146 N GLY A 12 -30.608 -33.411 19.444 1.00 0.00 N ATOM 147 CA GLY A 12 -30.164 -33.739 18.102 1.00 0.00 C ATOM 148 C GLY A 12 -29.902 -32.506 17.259 1.00 0.00 C ATOM 149 O GLY A 12 -30.167 -31.384 17.692 1.00 0.00 O ATOM 0 H GLY A 12 -30.007 -33.759 20.191 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -29.254 -34.336 18.160 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -30.919 -34.355 17.614 1.00 0.00 H new ATOM 153 N VAL A 13 -29.380 -32.714 16.055 1.00 0.00 N ATOM 154 CA VAL A 13 -29.083 -31.611 15.151 1.00 0.00 C ATOM 155 C VAL A 13 -30.361 -31.016 14.570 1.00 0.00 C ATOM 156 O VAL A 13 -31.435 -31.614 14.665 1.00 0.00 O ATOM 157 CB VAL A 13 -28.170 -32.063 13.995 1.00 0.00 C ATOM 158 CG1 VAL A 13 -26.774 -32.377 14.507 1.00 0.00 C ATOM 159 CG2 VAL A 13 -28.769 -33.265 13.281 1.00 0.00 C ATOM 0 H VAL A 13 -29.154 -33.637 15.683 1.00 0.00 H new ATOM 0 HA VAL A 13 -28.566 -30.852 15.738 1.00 0.00 H new ATOM 0 HB VAL A 13 -28.091 -31.246 13.278 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -26.144 -32.694 13.676 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -26.346 -31.486 14.967 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -26.829 -33.176 15.246 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.111 -33.570 12.468 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -28.881 -34.089 13.986 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.746 -32.999 12.877 1.00 0.00 H new ATOM 169 N GLY A 14 -30.240 -29.838 13.970 1.00 0.00 N ATOM 170 CA GLY A 14 -31.395 -29.181 13.383 1.00 0.00 C ATOM 171 C GLY A 14 -31.117 -27.737 13.016 1.00 0.00 C ATOM 172 O GLY A 14 -31.579 -27.253 11.983 1.00 0.00 O ATOM 0 H GLY A 14 -29.363 -29.325 13.879 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -31.705 -29.726 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -32.227 -29.220 14.086 1.00 0.00 H new ATOM 176 N THR A 15 -30.361 -27.047 13.865 1.00 0.00 N ATOM 177 CA THR A 15 -30.022 -25.650 13.626 1.00 0.00 C ATOM 178 C THR A 15 -28.561 -25.507 13.215 1.00 0.00 C ATOM 179 O THR A 15 -27.668 -26.059 13.857 1.00 0.00 O ATOM 180 CB THR A 15 -30.297 -24.815 14.877 1.00 0.00 C ATOM 181 OG1 THR A 15 -31.628 -25.004 15.324 1.00 0.00 O ATOM 182 CG2 THR A 15 -30.089 -23.331 14.665 1.00 0.00 C ATOM 0 H THR A 15 -29.972 -27.434 14.725 1.00 0.00 H new ATOM 0 HA THR A 15 -30.647 -25.285 12.811 1.00 0.00 H new ATOM 0 HB THR A 15 -29.578 -25.163 15.619 1.00 0.00 H new ATOM 0 HG1 THR A 15 -31.784 -24.463 16.126 1.00 0.00 H new ATOM 0 HG21 THR A 15 -30.301 -22.798 15.592 1.00 0.00 H new ATOM 0 HG22 THR A 15 -29.056 -23.147 14.369 1.00 0.00 H new ATOM 0 HG23 THR A 15 -30.760 -22.978 13.882 1.00 0.00 H new ATOM 190 N SER A 16 -28.325 -24.761 12.139 1.00 0.00 N ATOM 191 CA SER A 16 -26.971 -24.546 11.642 1.00 0.00 C ATOM 192 C SER A 16 -26.681 -23.056 11.483 1.00 0.00 C ATOM 193 O SER A 16 -27.493 -22.310 10.934 1.00 0.00 O ATOM 194 CB SER A 16 -26.777 -25.258 10.303 1.00 0.00 C ATOM 195 OG SER A 16 -25.403 -25.476 10.036 1.00 0.00 O ATOM 0 H SER A 16 -29.053 -24.296 11.596 1.00 0.00 H new ATOM 0 HA SER A 16 -26.274 -24.960 12.371 1.00 0.00 H new ATOM 0 HB2 SER A 16 -27.304 -26.212 10.315 1.00 0.00 H new ATOM 0 HB3 SER A 16 -27.216 -24.661 9.503 1.00 0.00 H new ATOM 0 HG SER A 16 -25.306 -25.934 9.175 1.00 0.00 H new ATOM 201 N SER A 17 -25.519 -22.630 11.968 1.00 0.00 N ATOM 202 CA SER A 17 -25.122 -21.229 11.881 1.00 0.00 C ATOM 203 C SER A 17 -23.603 -21.093 11.890 1.00 0.00 C ATOM 204 O SER A 17 -22.885 -22.060 12.142 1.00 0.00 O ATOM 205 CB SER A 17 -25.726 -20.434 13.038 1.00 0.00 C ATOM 206 OG SER A 17 -25.684 -21.176 14.244 1.00 0.00 O ATOM 0 H SER A 17 -24.836 -23.234 12.425 1.00 0.00 H new ATOM 0 HA SER A 17 -25.498 -20.827 10.940 1.00 0.00 H new ATOM 0 HB2 SER A 17 -25.181 -19.498 13.164 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.758 -20.173 12.804 1.00 0.00 H new ATOM 0 HG SER A 17 -26.075 -20.645 14.969 1.00 0.00 H new ATOM 212 N GLY A 18 -23.120 -19.886 11.614 1.00 0.00 N ATOM 213 CA GLY A 18 -21.690 -19.646 11.597 1.00 0.00 C ATOM 214 C GLY A 18 -21.341 -18.262 11.082 1.00 0.00 C ATOM 215 O GLY A 18 -22.179 -17.583 10.489 1.00 0.00 O ATOM 0 H GLY A 18 -23.694 -19.070 11.402 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -21.292 -19.767 12.605 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -21.206 -20.396 10.971 1.00 0.00 H new ATOM 219 N LYS A 19 -20.100 -17.844 11.310 1.00 0.00 N ATOM 220 CA LYS A 19 -19.642 -16.533 10.866 1.00 0.00 C ATOM 221 C LYS A 19 -18.208 -16.603 10.349 1.00 0.00 C ATOM 222 O LYS A 19 -17.560 -17.645 10.428 1.00 0.00 O ATOM 223 CB LYS A 19 -19.735 -15.523 12.012 1.00 0.00 C ATOM 224 CG LYS A 19 -19.142 -16.027 13.319 1.00 0.00 C ATOM 225 CD LYS A 19 -17.878 -15.268 13.696 1.00 0.00 C ATOM 226 CE LYS A 19 -17.935 -14.763 15.130 1.00 0.00 C ATOM 227 NZ LYS A 19 -18.613 -13.442 15.229 1.00 0.00 N ATOM 0 H LYS A 19 -19.394 -18.394 11.799 1.00 0.00 H new ATOM 0 HA LYS A 19 -20.287 -16.207 10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.222 -14.607 11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.782 -15.265 12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.879 -15.925 14.116 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.915 -17.089 13.229 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.012 -15.918 13.573 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.743 -14.425 13.018 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.462 -15.489 15.749 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.923 -14.682 15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.630 -13.134 16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.096 -12.743 14.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.587 -13.525 14.875 1.00 0.00 H new ATOM 241 N GLN A 20 -17.721 -15.486 9.817 1.00 0.00 N ATOM 242 CA GLN A 20 -16.365 -15.420 9.285 1.00 0.00 C ATOM 243 C GLN A 20 -15.571 -14.304 9.957 1.00 0.00 C ATOM 244 O GLN A 20 -16.143 -13.409 10.579 1.00 0.00 O ATOM 245 CB GLN A 20 -16.398 -15.197 7.772 1.00 0.00 C ATOM 246 CG GLN A 20 -17.187 -13.966 7.354 1.00 0.00 C ATOM 247 CD GLN A 20 -18.185 -14.258 6.252 1.00 0.00 C ATOM 248 OE1 GLN A 20 -19.397 -14.223 6.471 1.00 0.00 O ATOM 249 NE2 GLN A 20 -17.683 -14.548 5.057 1.00 0.00 N ATOM 0 H GLN A 20 -18.246 -14.614 9.743 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.873 -16.370 9.495 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.376 -15.105 7.405 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.831 -16.075 7.293 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -17.715 -13.566 8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.496 -13.193 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -16.673 -14.566 4.919 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.308 -14.753 4.277 1.00 0.00 H new ATOM 258 N LYS A 21 -14.249 -14.365 9.828 1.00 0.00 N ATOM 259 CA LYS A 21 -13.376 -13.358 10.424 1.00 0.00 C ATOM 260 C LYS A 21 -12.071 -13.241 9.642 1.00 0.00 C ATOM 261 O LYS A 21 -11.290 -14.190 9.571 1.00 0.00 O ATOM 262 CB LYS A 21 -13.081 -13.708 11.884 1.00 0.00 C ATOM 263 CG LYS A 21 -13.997 -13.006 12.874 1.00 0.00 C ATOM 264 CD LYS A 21 -13.420 -13.030 14.280 1.00 0.00 C ATOM 265 CE LYS A 21 -14.047 -11.958 15.158 1.00 0.00 C ATOM 266 NZ LYS A 21 -15.532 -12.047 15.171 1.00 0.00 N ATOM 0 H LYS A 21 -13.759 -15.099 9.317 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.890 -12.397 10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.174 -14.786 12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.047 -13.447 12.110 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.151 -11.974 12.560 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.974 -13.489 12.872 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.587 -14.010 14.726 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.341 -12.880 14.234 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.669 -12.056 16.176 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.746 -10.974 14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.878 -11.935 16.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.930 -11.294 14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.827 -12.974 14.803 1.00 0.00 H new ATOM 280 N ARG A 22 -11.840 -12.069 9.059 1.00 0.00 N ATOM 281 CA ARG A 22 -10.629 -11.826 8.284 1.00 0.00 C ATOM 282 C ARG A 22 -9.463 -11.469 9.199 1.00 0.00 C ATOM 283 O ARG A 22 -9.598 -11.477 10.423 1.00 0.00 O ATOM 284 CB ARG A 22 -10.862 -10.702 7.272 1.00 0.00 C ATOM 285 CG ARG A 22 -11.447 -11.183 5.954 1.00 0.00 C ATOM 286 CD ARG A 22 -10.381 -11.292 4.876 1.00 0.00 C ATOM 287 NE ARG A 22 -10.881 -11.963 3.678 1.00 0.00 N ATOM 288 CZ ARG A 22 -11.745 -11.416 2.826 1.00 0.00 C ATOM 289 NH1 ARG A 22 -12.206 -10.190 3.037 1.00 0.00 N ATOM 290 NH2 ARG A 22 -12.147 -12.095 1.760 1.00 0.00 N ATOM 0 H ARG A 22 -12.476 -11.273 9.109 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.380 -12.741 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.533 -9.963 7.710 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.916 -10.197 7.077 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.920 -12.154 6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.226 -10.494 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.028 -10.295 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.524 -11.840 5.268 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.548 -12.907 3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.898 -9.663 3.854 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.868 -9.774 2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.794 -13.037 1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.809 -11.675 1.108 1.00 0.00 H new ATOM 304 N TYR A 23 -8.317 -11.162 8.601 1.00 0.00 N ATOM 305 CA TYR A 23 -7.129 -10.805 9.367 1.00 0.00 C ATOM 306 C TYR A 23 -6.142 -10.013 8.513 1.00 0.00 C ATOM 307 O TYR A 23 -5.625 -10.517 7.515 1.00 0.00 O ATOM 308 CB TYR A 23 -6.453 -12.065 9.910 1.00 0.00 C ATOM 309 CG TYR A 23 -5.945 -11.919 11.327 1.00 0.00 C ATOM 310 CD1 TYR A 23 -6.828 -11.830 12.397 1.00 0.00 C ATOM 311 CD2 TYR A 23 -4.583 -11.869 11.596 1.00 0.00 C ATOM 312 CE1 TYR A 23 -6.366 -11.697 13.693 1.00 0.00 C ATOM 313 CE2 TYR A 23 -4.115 -11.736 12.889 1.00 0.00 C ATOM 314 CZ TYR A 23 -5.010 -11.651 13.934 1.00 0.00 C ATOM 315 OH TYR A 23 -4.548 -11.518 15.222 1.00 0.00 O ATOM 0 H TYR A 23 -8.186 -11.153 7.590 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.442 -10.177 10.201 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.161 -12.892 9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.619 -12.328 9.260 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.892 -11.865 12.213 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.878 -11.935 10.780 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.065 -11.629 14.513 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.053 -11.699 13.080 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.568 -11.503 15.218 1.00 0.00 H new ATOM 325 N LYS A 24 -5.885 -8.771 8.913 1.00 0.00 N ATOM 326 CA LYS A 24 -4.958 -7.909 8.188 1.00 0.00 C ATOM 327 C LYS A 24 -5.414 -7.694 6.756 1.00 0.00 C ATOM 328 O LYS A 24 -4.761 -8.128 5.807 1.00 0.00 O ATOM 329 CB LYS A 24 -3.549 -8.504 8.211 1.00 0.00 C ATOM 330 CG LYS A 24 -2.702 -8.019 9.378 1.00 0.00 C ATOM 331 CD LYS A 24 -2.101 -9.179 10.159 1.00 0.00 C ATOM 332 CE LYS A 24 -2.746 -9.325 11.529 1.00 0.00 C ATOM 333 NZ LYS A 24 -2.555 -8.108 12.366 1.00 0.00 N ATOM 0 H LYS A 24 -6.306 -8.339 9.736 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.941 -6.940 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.623 -9.591 8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.043 -8.255 7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.903 -7.378 9.006 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.314 -7.411 10.044 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.229 -10.103 9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.029 -9.023 10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.812 -9.520 11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.320 -10.188 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.444 -7.879 12.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.809 -8.284 13.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.278 -7.310 11.760 1.00 0.00 H new ATOM 347 N PHE A 25 -6.530 -6.994 6.609 1.00 0.00 N ATOM 348 CA PHE A 25 -7.069 -6.686 5.297 1.00 0.00 C ATOM 349 C PHE A 25 -6.015 -5.981 4.457 1.00 0.00 C ATOM 350 O PHE A 25 -5.041 -5.449 4.994 1.00 0.00 O ATOM 351 CB PHE A 25 -8.312 -5.802 5.430 1.00 0.00 C ATOM 352 CG PHE A 25 -9.401 -6.130 4.447 1.00 0.00 C ATOM 353 CD1 PHE A 25 -9.338 -5.669 3.143 1.00 0.00 C ATOM 354 CD2 PHE A 25 -10.489 -6.897 4.832 1.00 0.00 C ATOM 355 CE1 PHE A 25 -10.341 -5.966 2.239 1.00 0.00 C ATOM 356 CE2 PHE A 25 -11.494 -7.198 3.933 1.00 0.00 C ATOM 357 CZ PHE A 25 -11.420 -6.732 2.635 1.00 0.00 C ATOM 0 H PHE A 25 -7.080 -6.629 7.387 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.352 -7.616 4.805 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.708 -5.898 6.441 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -8.020 -4.760 5.300 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.496 -5.071 2.828 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.552 -7.264 5.846 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.281 -5.600 1.225 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.337 -7.797 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.205 -6.966 1.931 1.00 0.00 H new ATOM 367 N SER A 26 -6.211 -5.960 3.146 1.00 0.00 N ATOM 368 CA SER A 26 -5.272 -5.297 2.248 1.00 0.00 C ATOM 369 C SER A 26 -5.088 -3.825 2.634 1.00 0.00 C ATOM 370 O SER A 26 -4.305 -3.107 2.011 1.00 0.00 O ATOM 371 CB SER A 26 -5.759 -5.399 0.801 1.00 0.00 C ATOM 372 OG SER A 26 -4.668 -5.464 -0.100 1.00 0.00 O ATOM 0 H SER A 26 -7.009 -6.393 2.680 1.00 0.00 H new ATOM 0 HA SER A 26 -4.309 -5.799 2.337 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.383 -6.285 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.382 -4.537 0.562 1.00 0.00 H new ATOM 0 HG SER A 26 -5.005 -5.530 -1.018 1.00 0.00 H new ATOM 378 N ALA A 27 -5.808 -3.383 3.666 1.00 0.00 N ATOM 379 CA ALA A 27 -5.722 -2.009 4.134 1.00 0.00 C ATOM 380 C ALA A 27 -5.559 -1.957 5.652 1.00 0.00 C ATOM 381 O ALA A 27 -5.187 -0.923 6.206 1.00 0.00 O ATOM 382 CB ALA A 27 -6.954 -1.227 3.704 1.00 0.00 C ATOM 0 H ALA A 27 -6.459 -3.965 4.193 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.841 -1.550 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.876 -0.200 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.025 -1.228 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.845 -1.691 4.126 1.00 0.00 H new ATOM 388 N SER A 28 -5.835 -3.079 6.328 1.00 0.00 N ATOM 389 CA SER A 28 -5.710 -3.141 7.780 1.00 0.00 C ATOM 390 C SER A 28 -4.361 -2.594 8.232 1.00 0.00 C ATOM 391 O SER A 28 -4.232 -2.066 9.337 1.00 0.00 O ATOM 392 CB SER A 28 -5.878 -4.581 8.268 1.00 0.00 C ATOM 393 OG SER A 28 -7.245 -4.952 8.311 1.00 0.00 O ATOM 0 H SER A 28 -6.144 -3.948 5.892 1.00 0.00 H new ATOM 0 HA SER A 28 -6.497 -2.524 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.336 -5.257 7.607 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.439 -4.685 9.260 1.00 0.00 H new ATOM 0 HG SER A 28 -7.382 -5.615 9.020 1.00 0.00 H new ATOM 399 N GLU A 29 -3.358 -2.720 7.368 1.00 0.00 N ATOM 400 CA GLU A 29 -2.020 -2.232 7.679 1.00 0.00 C ATOM 401 C GLU A 29 -2.046 -0.734 7.985 1.00 0.00 C ATOM 402 O GLU A 29 -1.529 -0.286 9.010 1.00 0.00 O ATOM 403 CB GLU A 29 -1.065 -2.505 6.516 1.00 0.00 C ATOM 404 CG GLU A 29 0.331 -1.946 6.738 1.00 0.00 C ATOM 405 CD GLU A 29 0.720 -0.903 5.707 1.00 0.00 C ATOM 406 OE1 GLU A 29 -0.183 -0.376 5.023 1.00 0.00 O ATOM 407 OE2 GLU A 29 1.928 -0.614 5.585 1.00 0.00 O ATOM 0 H GLU A 29 -3.447 -3.155 6.450 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.666 -2.764 8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.996 -3.581 6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.481 -2.074 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.386 -1.504 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.052 -2.763 6.711 1.00 0.00 H new ATOM 414 N ASP A 30 -2.654 0.032 7.084 1.00 0.00 N ATOM 415 CA ASP A 30 -2.749 1.480 7.245 1.00 0.00 C ATOM 416 C ASP A 30 -3.417 1.837 8.566 1.00 0.00 C ATOM 417 O ASP A 30 -3.033 2.803 9.226 1.00 0.00 O ATOM 418 CB ASP A 30 -3.532 2.093 6.083 1.00 0.00 C ATOM 419 CG ASP A 30 -3.191 3.555 5.864 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.024 4.282 6.865 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.093 3.971 4.690 1.00 0.00 O ATOM 0 H ASP A 30 -3.089 -0.326 6.234 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.738 1.887 7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.322 1.533 5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.600 1.997 6.277 1.00 0.00 H new ATOM 426 N GLU A 31 -4.411 1.047 8.954 1.00 0.00 N ATOM 427 CA GLU A 31 -5.122 1.280 10.204 1.00 0.00 C ATOM 428 C GLU A 31 -4.167 1.167 11.385 1.00 0.00 C ATOM 429 O GLU A 31 -4.298 1.885 12.379 1.00 0.00 O ATOM 430 CB GLU A 31 -6.272 0.283 10.359 1.00 0.00 C ATOM 431 CG GLU A 31 -7.160 0.560 11.561 1.00 0.00 C ATOM 432 CD GLU A 31 -7.338 -0.655 12.450 1.00 0.00 C ATOM 433 OE1 GLU A 31 -6.499 -0.860 13.352 1.00 0.00 O ATOM 434 OE2 GLU A 31 -8.316 -1.404 12.244 1.00 0.00 O ATOM 0 H GLU A 31 -4.742 0.242 8.422 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.536 2.288 10.183 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.882 0.301 9.456 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.861 -0.723 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.730 1.373 12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.137 0.898 11.215 1.00 0.00 H new ATOM 441 N ALA A 32 -3.198 0.268 11.265 1.00 0.00 N ATOM 442 CA ALA A 32 -2.214 0.068 12.317 1.00 0.00 C ATOM 443 C ALA A 32 -1.260 1.252 12.382 1.00 0.00 C ATOM 444 O ALA A 32 -0.816 1.646 13.460 1.00 0.00 O ATOM 445 CB ALA A 32 -1.447 -1.226 12.091 1.00 0.00 C ATOM 0 H ALA A 32 -3.074 -0.333 10.450 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.737 -0.007 13.271 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.715 -1.359 12.888 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.142 -2.066 12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.934 -1.182 11.131 1.00 0.00 H new ATOM 451 N ILE A 33 -0.956 1.823 11.220 1.00 0.00 N ATOM 452 CA ILE A 33 -0.060 2.973 11.159 1.00 0.00 C ATOM 453 C ILE A 33 -0.707 4.195 11.792 1.00 0.00 C ATOM 454 O ILE A 33 -0.079 4.908 12.573 1.00 0.00 O ATOM 455 CB ILE A 33 0.352 3.329 9.716 1.00 0.00 C ATOM 456 CG1 ILE A 33 0.577 2.062 8.884 1.00 0.00 C ATOM 457 CG2 ILE A 33 1.604 4.197 9.732 1.00 0.00 C ATOM 458 CD1 ILE A 33 1.150 2.328 7.507 1.00 0.00 C ATOM 0 H ILE A 33 -1.313 1.512 10.316 1.00 0.00 H new ATOM 0 HA ILE A 33 0.835 2.688 11.712 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.457 3.892 9.251 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.251 1.398 9.426 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.371 1.536 8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.889 4.444 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.403 5.115 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.417 3.654 10.214 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.281 1.384 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.467 2.966 6.946 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.115 2.826 7.604 1.00 0.00 H new ATOM 470 N ILE A 34 -1.970 4.431 11.451 1.00 0.00 N ATOM 471 CA ILE A 34 -2.695 5.570 11.995 1.00 0.00 C ATOM 472 C ILE A 34 -2.805 5.463 13.509 1.00 0.00 C ATOM 473 O ILE A 34 -2.661 6.455 14.225 1.00 0.00 O ATOM 474 CB ILE A 34 -4.106 5.698 11.387 1.00 0.00 C ATOM 475 CG1 ILE A 34 -4.880 4.391 11.547 1.00 0.00 C ATOM 476 CG2 ILE A 34 -4.015 6.089 9.919 1.00 0.00 C ATOM 477 CD1 ILE A 34 -6.313 4.477 11.066 1.00 0.00 C ATOM 0 H ILE A 34 -2.508 3.853 10.805 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.127 6.463 11.732 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.644 6.481 11.922 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.366 3.604 10.996 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.874 4.100 12.598 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.019 6.176 9.503 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.501 7.046 9.829 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.460 5.326 9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.803 3.514 11.209 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.842 5.242 11.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.327 4.737 10.008 1.00 0.00 H new ATOM 489 N LYS A 35 -3.040 4.250 13.996 1.00 0.00 N ATOM 490 CA LYS A 35 -3.147 4.017 15.429 1.00 0.00 C ATOM 491 C LYS A 35 -1.783 4.194 16.084 1.00 0.00 C ATOM 492 O LYS A 35 -1.664 4.789 17.158 1.00 0.00 O ATOM 493 CB LYS A 35 -3.687 2.612 15.706 1.00 0.00 C ATOM 494 CG LYS A 35 -4.438 2.496 17.024 1.00 0.00 C ATOM 495 CD LYS A 35 -5.945 2.498 16.813 1.00 0.00 C ATOM 496 CE LYS A 35 -6.610 3.660 17.533 1.00 0.00 C ATOM 497 NZ LYS A 35 -7.913 3.268 18.138 1.00 0.00 N ATOM 0 H LYS A 35 -3.160 3.416 13.421 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.843 4.742 15.851 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.351 2.320 14.892 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.856 1.906 15.708 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.143 1.578 17.532 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.160 3.324 17.676 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.163 2.557 15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.364 1.558 17.173 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.945 4.032 18.313 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.768 4.479 16.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.333 4.089 18.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.557 2.937 17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.760 2.504 18.827 1.00 0.00 H new ATOM 511 N GLY A 36 -0.755 3.685 15.418 1.00 0.00 N ATOM 512 CA GLY A 36 0.594 3.802 15.933 1.00 0.00 C ATOM 513 C GLY A 36 1.040 5.246 16.025 1.00 0.00 C ATOM 514 O GLY A 36 1.593 5.670 17.038 1.00 0.00 O ATOM 0 H GLY A 36 -0.832 3.192 14.528 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.647 3.342 16.920 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.278 3.251 15.287 1.00 0.00 H new ATOM 518 N LEU A 37 0.792 6.005 14.961 1.00 0.00 N ATOM 519 CA LEU A 37 1.165 7.413 14.920 1.00 0.00 C ATOM 520 C LEU A 37 0.441 8.196 16.008 1.00 0.00 C ATOM 521 O LEU A 37 0.998 9.119 16.600 1.00 0.00 O ATOM 522 CB LEU A 37 0.844 8.008 13.547 1.00 0.00 C ATOM 523 CG LEU A 37 1.618 7.399 12.377 1.00 0.00 C ATOM 524 CD1 LEU A 37 0.765 7.395 11.117 1.00 0.00 C ATOM 525 CD2 LEU A 37 2.913 8.162 12.143 1.00 0.00 C ATOM 0 H LEU A 37 0.333 5.666 14.115 1.00 0.00 H new ATOM 0 HA LEU A 37 2.238 7.485 15.097 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.223 7.889 13.357 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.045 9.079 13.577 1.00 0.00 H new ATOM 0 HG LEU A 37 1.866 6.367 12.626 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.332 6.958 10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.136 6.806 11.289 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.487 8.418 10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.452 7.716 11.307 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.686 9.203 11.914 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.531 8.114 13.040 1.00 0.00 H new ATOM 537 N ALA A 38 -0.809 7.820 16.266 1.00 0.00 N ATOM 538 CA ALA A 38 -1.613 8.489 17.282 1.00 0.00 C ATOM 539 C ALA A 38 -0.956 8.394 18.655 1.00 0.00 C ATOM 540 O ALA A 38 -1.060 9.313 19.467 1.00 0.00 O ATOM 541 CB ALA A 38 -3.013 7.894 17.322 1.00 0.00 C ATOM 0 H ALA A 38 -1.285 7.057 15.786 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.685 9.544 17.016 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.603 8.402 18.085 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.490 8.021 16.350 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.950 6.832 17.560 1.00 0.00 H new ATOM 547 N ARG A 39 -0.284 7.276 18.909 1.00 0.00 N ATOM 548 CA ARG A 39 0.384 7.065 20.189 1.00 0.00 C ATOM 549 C ARG A 39 1.885 7.323 20.085 1.00 0.00 C ATOM 550 O ARG A 39 2.545 7.598 21.087 1.00 0.00 O ATOM 551 CB ARG A 39 0.131 5.640 20.690 1.00 0.00 C ATOM 552 CG ARG A 39 -0.932 5.558 21.773 1.00 0.00 C ATOM 553 CD ARG A 39 -1.902 4.414 21.521 1.00 0.00 C ATOM 554 NE ARG A 39 -2.924 4.327 22.560 1.00 0.00 N ATOM 555 CZ ARG A 39 -4.079 3.681 22.414 1.00 0.00 C ATOM 556 NH1 ARG A 39 -4.361 3.062 21.274 1.00 0.00 N ATOM 557 NH2 ARG A 39 -4.952 3.651 23.411 1.00 0.00 N ATOM 0 H ARG A 39 -0.187 6.505 18.249 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.032 7.777 20.902 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.170 5.016 19.849 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.064 5.228 21.075 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.454 5.423 22.743 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.481 6.498 21.816 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.381 4.551 20.551 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.351 3.475 21.474 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.742 4.789 23.451 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.691 3.080 20.505 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.247 2.569 21.167 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.739 4.123 24.290 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.837 3.156 23.299 1.00 0.00 H new ATOM 571 N PHE A 40 2.422 7.232 18.872 1.00 0.00 N ATOM 572 CA PHE A 40 3.845 7.455 18.652 1.00 0.00 C ATOM 573 C PHE A 40 4.088 8.780 17.935 1.00 0.00 C ATOM 574 O PHE A 40 3.531 9.029 16.867 1.00 0.00 O ATOM 575 CB PHE A 40 4.438 6.307 17.835 1.00 0.00 C ATOM 576 CG PHE A 40 4.633 5.044 18.625 1.00 0.00 C ATOM 577 CD1 PHE A 40 3.560 4.437 19.258 1.00 0.00 C ATOM 578 CD2 PHE A 40 5.887 4.467 18.738 1.00 0.00 C ATOM 579 CE1 PHE A 40 3.735 3.276 19.986 1.00 0.00 C ATOM 580 CE2 PHE A 40 6.069 3.305 19.464 1.00 0.00 C ATOM 581 CZ PHE A 40 4.990 2.709 20.089 1.00 0.00 C ATOM 0 H PHE A 40 1.894 7.006 18.029 1.00 0.00 H new ATOM 0 HA PHE A 40 4.335 7.496 19.625 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.784 6.099 16.989 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.398 6.621 17.426 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.576 4.876 19.181 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.733 4.931 18.253 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.891 2.812 20.474 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.052 2.864 19.543 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.128 1.801 20.657 1.00 0.00 H new ATOM 591 N THR A 41 4.924 9.623 18.532 1.00 0.00 N ATOM 592 CA THR A 41 5.244 10.923 17.952 1.00 0.00 C ATOM 593 C THR A 41 6.370 11.601 18.728 1.00 0.00 C ATOM 594 O THR A 41 6.339 12.810 18.960 1.00 0.00 O ATOM 595 CB THR A 41 4.002 11.817 17.938 1.00 0.00 C ATOM 596 OG1 THR A 41 3.127 11.476 18.998 1.00 0.00 O ATOM 597 CG2 THR A 41 3.217 11.729 16.647 1.00 0.00 C ATOM 0 H THR A 41 5.392 9.430 19.417 1.00 0.00 H new ATOM 0 HA THR A 41 5.579 10.766 16.927 1.00 0.00 H new ATOM 0 HB THR A 41 4.376 12.835 18.048 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.340 12.059 18.973 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.350 12.387 16.703 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.851 12.034 15.814 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.884 10.703 16.493 1.00 0.00 H new ATOM 605 N LYS A 42 7.364 10.814 19.126 1.00 0.00 N ATOM 606 CA LYS A 42 8.501 11.336 19.876 1.00 0.00 C ATOM 607 C LYS A 42 9.766 11.321 19.023 1.00 0.00 C ATOM 608 O LYS A 42 10.802 10.801 19.438 1.00 0.00 O ATOM 609 CB LYS A 42 8.718 10.515 21.149 1.00 0.00 C ATOM 610 CG LYS A 42 7.691 10.797 22.236 1.00 0.00 C ATOM 611 CD LYS A 42 8.341 11.367 23.486 1.00 0.00 C ATOM 612 CE LYS A 42 8.721 12.827 23.301 1.00 0.00 C ATOM 613 NZ LYS A 42 9.984 13.169 24.012 1.00 0.00 N ATOM 0 H LYS A 42 7.405 9.812 18.942 1.00 0.00 H new ATOM 0 HA LYS A 42 8.283 12.368 20.151 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.687 9.455 20.898 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.715 10.721 21.539 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.946 11.499 21.860 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.164 9.877 22.487 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.656 11.272 24.329 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.231 10.787 23.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.834 13.040 22.238 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.914 13.461 23.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.207 14.173 23.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.869 12.990 25.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.760 12.583 23.643 1.00 0.00 H new ATOM 627 N GLY A 43 9.675 11.897 17.829 1.00 0.00 N ATOM 628 CA GLY A 43 10.818 11.940 16.937 1.00 0.00 C ATOM 629 C GLY A 43 10.579 12.823 15.728 1.00 0.00 C ATOM 630 O GLY A 43 9.493 13.381 15.563 1.00 0.00 O ATOM 0 H GLY A 43 8.830 12.335 17.463 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.687 12.305 17.483 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.053 10.929 16.604 1.00 0.00 H new ATOM 634 N GLN A 44 11.594 12.949 14.880 1.00 0.00 N ATOM 635 CA GLN A 44 11.489 13.769 13.678 1.00 0.00 C ATOM 636 C GLN A 44 10.696 13.046 12.593 1.00 0.00 C ATOM 637 O GLN A 44 10.022 13.676 11.778 1.00 0.00 O ATOM 638 CB GLN A 44 12.883 14.129 13.158 1.00 0.00 C ATOM 639 CG GLN A 44 13.321 15.539 13.519 1.00 0.00 C ATOM 640 CD GLN A 44 13.446 15.747 15.015 1.00 0.00 C ATOM 641 OE1 GLN A 44 12.671 16.491 15.617 1.00 0.00 O ATOM 642 NE2 GLN A 44 14.427 15.089 15.624 1.00 0.00 N ATOM 0 H GLN A 44 12.499 12.494 15.002 1.00 0.00 H new ATOM 0 HA GLN A 44 10.959 14.685 13.938 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.606 13.419 13.559 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.897 14.020 12.074 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.280 15.750 13.046 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.603 16.253 13.116 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.046 14.483 15.085 1.00 0.00 H new ATOM 0 HE22 GLN A 44 14.561 15.190 16.630 1.00 0.00 H new ATOM 651 N GLN A 45 10.783 11.719 12.588 1.00 0.00 N ATOM 652 CA GLN A 45 10.073 10.910 11.603 1.00 0.00 C ATOM 653 C GLN A 45 9.233 9.836 12.285 1.00 0.00 C ATOM 654 O GLN A 45 9.599 8.660 12.298 1.00 0.00 O ATOM 655 CB GLN A 45 11.066 10.260 10.636 1.00 0.00 C ATOM 656 CG GLN A 45 12.126 11.217 10.118 1.00 0.00 C ATOM 657 CD GLN A 45 11.631 12.065 8.962 1.00 0.00 C ATOM 658 OE1 GLN A 45 10.427 12.205 8.751 1.00 0.00 O ATOM 659 NE2 GLN A 45 12.563 12.636 8.207 1.00 0.00 N ATOM 0 H GLN A 45 11.338 11.182 13.254 1.00 0.00 H new ATOM 0 HA GLN A 45 9.406 11.566 11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 45 11.556 9.426 11.138 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.518 9.846 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 45 12.450 11.869 10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.999 10.648 9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 45 13.550 12.492 8.419 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.291 13.218 7.415 1.00 0.00 H new ATOM 668 N ARG A 46 8.104 10.247 12.854 1.00 0.00 N ATOM 669 CA ARG A 46 7.211 9.320 13.539 1.00 0.00 C ATOM 670 C ARG A 46 6.729 8.223 12.594 1.00 0.00 C ATOM 671 O ARG A 46 6.390 7.122 13.029 1.00 0.00 O ATOM 672 CB ARG A 46 6.010 10.071 14.119 1.00 0.00 C ATOM 673 CG ARG A 46 5.403 11.083 13.161 1.00 0.00 C ATOM 674 CD ARG A 46 3.893 11.169 13.320 1.00 0.00 C ATOM 675 NE ARG A 46 3.455 12.516 13.679 1.00 0.00 N ATOM 676 CZ ARG A 46 2.182 12.909 13.670 1.00 0.00 C ATOM 677 NH1 ARG A 46 1.221 12.061 13.326 1.00 0.00 N ATOM 678 NH2 ARG A 46 1.871 14.153 14.008 1.00 0.00 N ATOM 0 H ARG A 46 7.786 11.216 12.854 1.00 0.00 H new ATOM 0 HA ARG A 46 7.769 8.854 14.351 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.245 9.349 14.405 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.319 10.585 15.029 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.845 12.064 13.339 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.646 10.805 12.135 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.413 10.868 12.389 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.569 10.466 14.087 1.00 0.00 H new ATOM 0 HE ARG A 46 4.165 13.195 13.952 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.455 11.103 13.067 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.248 12.367 13.321 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.606 14.808 14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.897 14.455 14.001 1.00 0.00 H new ATOM 692 N PHE A 47 6.697 8.528 11.299 1.00 0.00 N ATOM 693 CA PHE A 47 6.254 7.567 10.294 1.00 0.00 C ATOM 694 C PHE A 47 7.218 6.390 10.196 1.00 0.00 C ATOM 695 O PHE A 47 6.798 5.234 10.134 1.00 0.00 O ATOM 696 CB PHE A 47 6.127 8.249 8.930 1.00 0.00 C ATOM 697 CG PHE A 47 5.403 9.563 8.984 1.00 0.00 C ATOM 698 CD1 PHE A 47 4.048 9.610 9.269 1.00 0.00 C ATOM 699 CD2 PHE A 47 6.079 10.750 8.754 1.00 0.00 C ATOM 700 CE1 PHE A 47 3.380 10.818 9.323 1.00 0.00 C ATOM 701 CE2 PHE A 47 5.416 11.962 8.807 1.00 0.00 C ATOM 702 CZ PHE A 47 4.065 11.996 9.092 1.00 0.00 C ATOM 0 H PHE A 47 6.973 9.434 10.921 1.00 0.00 H new ATOM 0 HA PHE A 47 5.279 7.187 10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.123 8.409 8.518 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.602 7.582 8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.508 8.692 9.451 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.135 10.728 8.531 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.323 10.842 9.546 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.954 12.881 8.626 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.545 12.941 9.134 1.00 0.00 H new ATOM 712 N GLN A 48 8.510 6.688 10.178 1.00 0.00 N ATOM 713 CA GLN A 48 9.528 5.651 10.085 1.00 0.00 C ATOM 714 C GLN A 48 9.601 4.846 11.381 1.00 0.00 C ATOM 715 O GLN A 48 9.598 3.615 11.361 1.00 0.00 O ATOM 716 CB GLN A 48 10.892 6.270 9.770 1.00 0.00 C ATOM 717 CG GLN A 48 11.374 5.997 8.354 1.00 0.00 C ATOM 718 CD GLN A 48 12.829 6.364 8.151 1.00 0.00 C ATOM 719 OE1 GLN A 48 13.438 7.026 8.993 1.00 0.00 O ATOM 720 NE2 GLN A 48 13.398 5.935 7.031 1.00 0.00 N ATOM 0 H GLN A 48 8.878 7.638 10.227 1.00 0.00 H new ATOM 0 HA GLN A 48 9.253 4.975 9.275 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.837 7.348 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 48 11.628 5.885 10.476 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.235 4.941 8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.760 6.560 7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.857 5.389 6.361 1.00 0.00 H new ATOM 0 HE22 GLN A 48 14.377 6.151 6.841 1.00 0.00 H new ATOM 729 N GLN A 49 9.669 5.552 12.506 1.00 0.00 N ATOM 730 CA GLN A 49 9.744 4.905 13.813 1.00 0.00 C ATOM 731 C GLN A 49 8.527 4.018 14.053 1.00 0.00 C ATOM 732 O GLN A 49 8.660 2.850 14.416 1.00 0.00 O ATOM 733 CB GLN A 49 9.849 5.955 14.920 1.00 0.00 C ATOM 734 CG GLN A 49 10.616 5.477 16.142 1.00 0.00 C ATOM 735 CD GLN A 49 11.784 6.380 16.491 1.00 0.00 C ATOM 736 OE1 GLN A 49 11.602 7.467 17.037 1.00 0.00 O ATOM 737 NE2 GLN A 49 12.993 5.930 16.174 1.00 0.00 N ATOM 0 H GLN A 49 9.674 6.571 12.539 1.00 0.00 H new ATOM 0 HA GLN A 49 10.636 4.279 13.829 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.336 6.844 14.521 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.845 6.251 15.225 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.937 5.422 16.993 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.984 4.467 15.963 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.097 5.022 15.722 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.818 6.493 16.383 1.00 0.00 H new ATOM 746 N ILE A 50 7.341 4.580 13.843 1.00 0.00 N ATOM 747 CA ILE A 50 6.103 3.834 14.032 1.00 0.00 C ATOM 748 C ILE A 50 6.037 2.651 13.074 1.00 0.00 C ATOM 749 O ILE A 50 5.562 1.574 13.429 1.00 0.00 O ATOM 750 CB ILE A 50 4.865 4.739 13.830 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.607 4.065 14.387 1.00 0.00 C ATOM 752 CG2 ILE A 50 4.681 5.089 12.358 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.149 2.863 13.590 1.00 0.00 C ATOM 0 H ILE A 50 7.212 5.546 13.543 1.00 0.00 H new ATOM 0 HA ILE A 50 6.097 3.464 15.057 1.00 0.00 H new ATOM 0 HB ILE A 50 5.030 5.666 14.380 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.798 3.756 15.415 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.799 4.796 14.419 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.804 5.726 12.242 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.563 5.617 11.997 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.544 4.174 11.781 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.254 2.442 14.048 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.925 3.168 12.568 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.938 2.111 13.579 1.00 0.00 H new ATOM 765 N TYR A 51 6.526 2.865 11.856 1.00 0.00 N ATOM 766 CA TYR A 51 6.534 1.823 10.835 1.00 0.00 C ATOM 767 C TYR A 51 7.220 0.562 11.351 1.00 0.00 C ATOM 768 O TYR A 51 6.665 -0.536 11.275 1.00 0.00 O ATOM 769 CB TYR A 51 7.240 2.331 9.574 1.00 0.00 C ATOM 770 CG TYR A 51 7.437 1.273 8.511 1.00 0.00 C ATOM 771 CD1 TYR A 51 6.390 0.451 8.117 1.00 0.00 C ATOM 772 CD2 TYR A 51 8.675 1.099 7.902 1.00 0.00 C ATOM 773 CE1 TYR A 51 6.569 -0.518 7.148 1.00 0.00 C ATOM 774 CE2 TYR A 51 8.861 0.134 6.932 1.00 0.00 C ATOM 775 CZ TYR A 51 7.806 -0.672 6.558 1.00 0.00 C ATOM 776 OH TYR A 51 7.988 -1.635 5.593 1.00 0.00 O ATOM 0 H TYR A 51 6.923 3.754 11.552 1.00 0.00 H new ATOM 0 HA TYR A 51 5.502 1.573 10.590 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.661 3.152 9.152 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.212 2.737 9.853 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.419 0.571 8.575 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.504 1.728 8.192 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.745 -1.151 6.854 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.828 0.011 6.468 1.00 0.00 H new ATOM 0 HH TYR A 51 7.147 -1.778 5.111 1.00 0.00 H new ATOM 786 N TYR A 52 8.426 0.731 11.873 1.00 0.00 N ATOM 787 CA TYR A 52 9.195 -0.390 12.404 1.00 0.00 C ATOM 788 C TYR A 52 8.553 -0.949 13.669 1.00 0.00 C ATOM 789 O TYR A 52 8.689 -2.134 13.972 1.00 0.00 O ATOM 790 CB TYR A 52 10.631 0.045 12.702 1.00 0.00 C ATOM 791 CG TYR A 52 11.447 0.337 11.463 1.00 0.00 C ATOM 792 CD1 TYR A 52 11.648 -0.639 10.494 1.00 0.00 C ATOM 793 CD2 TYR A 52 12.019 1.588 11.262 1.00 0.00 C ATOM 794 CE1 TYR A 52 12.395 -0.376 9.362 1.00 0.00 C ATOM 795 CE2 TYR A 52 12.765 1.859 10.132 1.00 0.00 C ATOM 796 CZ TYR A 52 12.952 0.873 9.185 1.00 0.00 C ATOM 797 OH TYR A 52 13.696 1.139 8.059 1.00 0.00 O ATOM 0 H TYR A 52 8.896 1.634 11.941 1.00 0.00 H new ATOM 0 HA TYR A 52 9.206 -1.175 11.648 1.00 0.00 H new ATOM 0 HB2 TYR A 52 10.609 0.936 13.330 1.00 0.00 H new ATOM 0 HB3 TYR A 52 11.127 -0.738 13.277 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.213 -1.619 10.628 1.00 0.00 H new ATOM 0 HD2 TYR A 52 11.877 2.361 12.002 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.542 -1.146 8.619 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.200 2.837 9.990 1.00 0.00 H new ATOM 0 HH TYR A 52 14.015 2.065 8.089 1.00 0.00 H new ATOM 807 N ALA A 53 7.859 -0.089 14.410 1.00 0.00 N ATOM 808 CA ALA A 53 7.208 -0.506 15.646 1.00 0.00 C ATOM 809 C ALA A 53 6.041 -1.445 15.374 1.00 0.00 C ATOM 810 O ALA A 53 5.958 -2.530 15.948 1.00 0.00 O ATOM 811 CB ALA A 53 6.735 0.712 16.426 1.00 0.00 C ATOM 0 H ALA A 53 7.734 0.896 14.177 1.00 0.00 H new ATOM 0 HA ALA A 53 7.940 -1.051 16.242 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.250 0.388 17.347 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.590 1.343 16.668 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.026 1.278 15.822 1.00 0.00 H new ATOM 817 N TYR A 54 5.143 -1.023 14.494 1.00 0.00 N ATOM 818 CA TYR A 54 3.979 -1.830 14.146 1.00 0.00 C ATOM 819 C TYR A 54 4.340 -2.945 13.160 1.00 0.00 C ATOM 820 O TYR A 54 3.481 -3.733 12.765 1.00 0.00 O ATOM 821 CB TYR A 54 2.861 -0.941 13.580 1.00 0.00 C ATOM 822 CG TYR A 54 2.846 -0.825 12.068 1.00 0.00 C ATOM 823 CD1 TYR A 54 2.244 -1.799 11.284 1.00 0.00 C ATOM 824 CD2 TYR A 54 3.429 0.263 11.429 1.00 0.00 C ATOM 825 CE1 TYR A 54 2.223 -1.695 9.906 1.00 0.00 C ATOM 826 CE2 TYR A 54 3.412 0.375 10.053 1.00 0.00 C ATOM 827 CZ TYR A 54 2.807 -0.606 9.296 1.00 0.00 C ATOM 828 OH TYR A 54 2.789 -0.498 7.924 1.00 0.00 O ATOM 0 H TYR A 54 5.197 -0.128 14.008 1.00 0.00 H new ATOM 0 HA TYR A 54 3.618 -2.306 15.058 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.900 -1.336 13.910 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.959 0.057 14.006 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.784 -2.653 11.759 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.903 1.034 12.019 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.752 -2.463 9.311 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.870 1.227 9.572 1.00 0.00 H new ATOM 0 HH TYR A 54 2.854 -1.391 7.525 1.00 0.00 H new ATOM 838 N ARG A 55 5.612 -3.010 12.765 1.00 0.00 N ATOM 839 CA ARG A 55 6.070 -4.030 11.827 1.00 0.00 C ATOM 840 C ARG A 55 5.698 -5.428 12.314 1.00 0.00 C ATOM 841 O ARG A 55 6.449 -6.060 13.056 1.00 0.00 O ATOM 842 CB ARG A 55 7.584 -3.933 11.634 1.00 0.00 C ATOM 843 CG ARG A 55 8.033 -4.203 10.207 1.00 0.00 C ATOM 844 CD ARG A 55 9.513 -3.906 10.024 1.00 0.00 C ATOM 845 NE ARG A 55 10.356 -4.902 10.681 1.00 0.00 N ATOM 846 CZ ARG A 55 11.643 -5.089 10.395 1.00 0.00 C ATOM 847 NH1 ARG A 55 12.237 -4.352 9.463 1.00 0.00 N ATOM 848 NH2 ARG A 55 12.338 -6.014 11.041 1.00 0.00 N ATOM 0 H ARG A 55 6.340 -2.369 13.080 1.00 0.00 H new ATOM 0 HA ARG A 55 5.576 -3.854 10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 55 7.917 -2.938 11.929 1.00 0.00 H new ATOM 0 HB3 ARG A 55 8.073 -4.643 12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.836 -5.244 9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.450 -3.591 9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 55 9.748 -3.877 8.960 1.00 0.00 H new ATOM 0 HD3 ARG A 55 9.737 -2.918 10.427 1.00 0.00 H new ATOM 0 HE ARG A 55 9.934 -5.489 11.401 1.00 0.00 H new ATOM 0 HH11 ARG A 55 11.707 -3.639 8.962 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.223 -4.499 9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.887 -6.583 11.758 1.00 0.00 H new ATOM 0 HH22 ARG A 55 13.324 -6.157 10.822 1.00 0.00 H new ATOM 862 N SER A 56 4.532 -5.902 11.888 1.00 0.00 N ATOM 863 CA SER A 56 4.053 -7.223 12.277 1.00 0.00 C ATOM 864 C SER A 56 2.767 -7.569 11.534 1.00 0.00 C ATOM 865 O SER A 56 2.583 -8.699 11.083 1.00 0.00 O ATOM 866 CB SER A 56 3.818 -7.280 13.787 1.00 0.00 C ATOM 867 OG SER A 56 2.657 -6.553 14.150 1.00 0.00 O ATOM 0 H SER A 56 3.900 -5.390 11.272 1.00 0.00 H new ATOM 0 HA SER A 56 4.815 -7.955 12.011 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.715 -8.318 14.103 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.684 -6.873 14.309 1.00 0.00 H new ATOM 0 HG SER A 56 2.717 -5.642 13.794 1.00 0.00 H new ATOM 873 N VAL A 57 1.882 -6.585 11.406 1.00 0.00 N ATOM 874 CA VAL A 57 0.617 -6.783 10.712 1.00 0.00 C ATOM 875 C VAL A 57 0.844 -7.053 9.229 1.00 0.00 C ATOM 876 O VAL A 57 0.240 -7.956 8.651 1.00 0.00 O ATOM 877 CB VAL A 57 -0.310 -5.561 10.863 1.00 0.00 C ATOM 878 CG1 VAL A 57 -0.698 -5.360 12.320 1.00 0.00 C ATOM 879 CG2 VAL A 57 0.354 -4.312 10.303 1.00 0.00 C ATOM 0 H VAL A 57 2.019 -5.644 11.774 1.00 0.00 H new ATOM 0 HA VAL A 57 0.138 -7.648 11.171 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.219 -5.747 10.292 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.352 -4.493 12.406 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.220 -6.246 12.683 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.200 -5.198 12.917 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.316 -3.460 10.419 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.281 -4.120 10.843 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.573 -4.460 9.246 1.00 0.00 H new ATOM 889 N TRP A 58 1.724 -6.265 8.620 1.00 0.00 N ATOM 890 CA TRP A 58 2.035 -6.421 7.204 1.00 0.00 C ATOM 891 C TRP A 58 3.186 -7.408 7.013 1.00 0.00 C ATOM 892 O TRP A 58 3.496 -8.191 7.909 1.00 0.00 O ATOM 893 CB TRP A 58 2.401 -5.067 6.592 1.00 0.00 C ATOM 894 CG TRP A 58 1.831 -4.825 5.219 1.00 0.00 C ATOM 895 CD1 TRP A 58 1.829 -3.637 4.546 1.00 0.00 C ATOM 896 CD2 TRP A 58 1.186 -5.775 4.349 1.00 0.00 C ATOM 897 NE1 TRP A 58 1.225 -3.782 3.323 1.00 0.00 N ATOM 898 CE2 TRP A 58 0.823 -5.082 3.176 1.00 0.00 C ATOM 899 CE3 TRP A 58 0.878 -7.138 4.441 1.00 0.00 C ATOM 900 CZ2 TRP A 58 0.172 -5.702 2.112 1.00 0.00 C ATOM 901 CZ3 TRP A 58 0.233 -7.751 3.382 1.00 0.00 C ATOM 902 CH2 TRP A 58 -0.113 -7.033 2.232 1.00 0.00 C ATOM 0 H TRP A 58 2.234 -5.513 9.084 1.00 0.00 H new ATOM 0 HA TRP A 58 1.152 -6.813 6.698 1.00 0.00 H new ATOM 0 HB2 TRP A 58 2.056 -4.277 7.259 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.487 -4.988 6.539 1.00 0.00 H new ATOM 0 HD1 TRP A 58 2.244 -2.714 4.923 1.00 0.00 H new ATOM 0 HE1 TRP A 58 1.096 -3.041 2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 58 1.140 -7.701 5.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.098 -5.150 1.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.008 -8.802 3.444 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.616 -7.541 1.422 1.00 0.00 H new ATOM 913 N HIS A 59 3.822 -7.357 5.844 1.00 0.00 N ATOM 914 CA HIS A 59 4.945 -8.240 5.548 1.00 0.00 C ATOM 915 C HIS A 59 6.270 -7.534 5.834 1.00 0.00 C ATOM 916 O HIS A 59 6.617 -6.561 5.162 1.00 0.00 O ATOM 917 CB HIS A 59 4.892 -8.692 4.087 1.00 0.00 C ATOM 918 CG HIS A 59 4.838 -10.179 3.922 1.00 0.00 C ATOM 919 ND1 HIS A 59 4.173 -11.009 4.801 1.00 0.00 N ATOM 920 CD2 HIS A 59 5.367 -10.987 2.972 1.00 0.00 C ATOM 921 CE1 HIS A 59 4.298 -12.262 4.400 1.00 0.00 C ATOM 922 NE2 HIS A 59 5.017 -12.276 3.293 1.00 0.00 N ATOM 0 H HIS A 59 3.579 -6.715 5.089 1.00 0.00 H new ATOM 0 HA HIS A 59 4.874 -9.118 6.190 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.017 -8.250 3.610 1.00 0.00 H new ATOM 0 HB3 HIS A 59 5.768 -8.308 3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.954 -10.676 2.121 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.882 -13.128 4.894 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.271 -13.109 2.762 1.00 0.00 H new ATOM 931 N PRO A 60 7.032 -8.006 6.839 1.00 0.00 N ATOM 932 CA PRO A 60 8.319 -7.401 7.204 1.00 0.00 C ATOM 933 C PRO A 60 9.371 -7.560 6.111 1.00 0.00 C ATOM 934 O PRO A 60 9.818 -8.669 5.823 1.00 0.00 O ATOM 935 CB PRO A 60 8.735 -8.169 8.462 1.00 0.00 C ATOM 936 CG PRO A 60 8.005 -9.463 8.380 1.00 0.00 C ATOM 937 CD PRO A 60 6.701 -9.158 7.700 1.00 0.00 C ATOM 0 HA PRO A 60 8.229 -6.325 7.356 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.813 -8.325 8.491 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.468 -7.621 9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 60 8.577 -10.199 7.815 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.839 -9.882 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 60 6.342 -10.007 7.117 1.00 0.00 H new ATOM 0 HD3 PRO A 60 5.920 -8.912 8.419 1.00 0.00 H new ATOM 945 N ALA A 61 9.762 -6.442 5.508 1.00 0.00 N ATOM 946 CA ALA A 61 10.763 -6.456 4.448 1.00 0.00 C ATOM 947 C ALA A 61 11.281 -5.051 4.152 1.00 0.00 C ATOM 948 O ALA A 61 11.685 -4.754 3.028 1.00 0.00 O ATOM 949 CB ALA A 61 10.188 -7.084 3.188 1.00 0.00 C ATOM 0 H ALA A 61 9.401 -5.515 5.735 1.00 0.00 H new ATOM 0 HA ALA A 61 11.605 -7.057 4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 61 10.946 -7.088 2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.880 -8.108 3.400 1.00 0.00 H new ATOM 0 HB3 ALA A 61 9.325 -6.507 2.855 1.00 0.00 H new ATOM 955 N ARG A 62 11.270 -4.190 5.168 1.00 0.00 N ATOM 956 CA ARG A 62 11.742 -2.815 5.017 1.00 0.00 C ATOM 957 C ARG A 62 11.103 -2.143 3.803 1.00 0.00 C ATOM 958 O ARG A 62 11.560 -2.314 2.674 1.00 0.00 O ATOM 959 CB ARG A 62 13.266 -2.789 4.885 1.00 0.00 C ATOM 960 CG ARG A 62 13.981 -3.637 5.927 1.00 0.00 C ATOM 961 CD ARG A 62 15.186 -2.912 6.504 1.00 0.00 C ATOM 962 NE ARG A 62 16.214 -3.841 6.968 1.00 0.00 N ATOM 963 CZ ARG A 62 17.469 -3.484 7.231 1.00 0.00 C ATOM 964 NH1 ARG A 62 17.856 -2.224 7.076 1.00 0.00 N ATOM 965 NH2 ARG A 62 18.341 -4.391 7.650 1.00 0.00 N ATOM 0 H ARG A 62 10.939 -4.420 6.105 1.00 0.00 H new ATOM 0 HA ARG A 62 11.450 -2.260 5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.543 -3.140 3.891 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.612 -1.759 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.288 -3.889 6.730 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.302 -4.576 5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.609 -2.252 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.866 -2.281 7.334 1.00 0.00 H new ATOM 0 HE ARG A 62 15.955 -4.819 7.098 1.00 0.00 H new ATOM 0 HH11 ARG A 62 17.190 -1.522 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.819 -1.958 7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.050 -5.361 7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.303 -4.119 7.852 1.00 0.00 H new ATOM 979 N THR A 63 10.041 -1.378 4.043 1.00 0.00 N ATOM 980 CA THR A 63 9.341 -0.685 2.968 1.00 0.00 C ATOM 981 C THR A 63 8.837 0.682 3.424 1.00 0.00 C ATOM 982 O THR A 63 7.640 0.963 3.366 1.00 0.00 O ATOM 983 CB THR A 63 8.171 -1.536 2.464 1.00 0.00 C ATOM 984 OG1 THR A 63 8.331 -2.888 2.854 1.00 0.00 O ATOM 985 CG2 THR A 63 8.019 -1.510 0.958 1.00 0.00 C ATOM 0 H THR A 63 9.648 -1.223 4.971 1.00 0.00 H new ATOM 0 HA THR A 63 10.048 -0.529 2.153 1.00 0.00 H new ATOM 0 HB THR A 63 7.280 -1.097 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.139 -2.977 3.811 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.173 -2.132 0.667 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.847 -0.486 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.928 -1.893 0.494 1.00 0.00 H new ATOM 993 N VAL A 64 9.759 1.534 3.865 1.00 0.00 N ATOM 994 CA VAL A 64 9.396 2.875 4.310 1.00 0.00 C ATOM 995 C VAL A 64 8.689 3.620 3.187 1.00 0.00 C ATOM 996 O VAL A 64 7.730 4.361 3.418 1.00 0.00 O ATOM 997 CB VAL A 64 10.630 3.676 4.775 1.00 0.00 C ATOM 998 CG1 VAL A 64 10.261 5.123 5.071 1.00 0.00 C ATOM 999 CG2 VAL A 64 11.255 3.022 5.998 1.00 0.00 C ATOM 0 H VAL A 64 10.755 1.322 3.923 1.00 0.00 H new ATOM 0 HA VAL A 64 8.725 2.772 5.162 1.00 0.00 H new ATOM 0 HB VAL A 64 11.362 3.674 3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.149 5.665 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.862 5.588 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.508 5.153 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.124 3.598 6.314 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.525 2.992 6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.564 2.006 5.750 1.00 0.00 H new ATOM 1009 N SER A 65 9.151 3.396 1.959 1.00 0.00 N ATOM 1010 CA SER A 65 8.547 4.024 0.794 1.00 0.00 C ATOM 1011 C SER A 65 7.069 3.669 0.741 1.00 0.00 C ATOM 1012 O SER A 65 6.215 4.516 0.475 1.00 0.00 O ATOM 1013 CB SER A 65 9.248 3.573 -0.488 1.00 0.00 C ATOM 1014 OG SER A 65 9.336 4.634 -1.422 1.00 0.00 O ATOM 0 H SER A 65 9.940 2.785 1.749 1.00 0.00 H new ATOM 0 HA SER A 65 8.658 5.105 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.248 3.210 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.702 2.739 -0.930 1.00 0.00 H new ATOM 0 HG SER A 65 9.790 4.320 -2.232 1.00 0.00 H new ATOM 1020 N GLN A 66 6.774 2.404 1.032 1.00 0.00 N ATOM 1021 CA GLN A 66 5.398 1.935 1.051 1.00 0.00 C ATOM 1022 C GLN A 66 4.616 2.710 2.101 1.00 0.00 C ATOM 1023 O GLN A 66 3.451 3.055 1.899 1.00 0.00 O ATOM 1024 CB GLN A 66 5.345 0.435 1.349 1.00 0.00 C ATOM 1025 CG GLN A 66 4.986 -0.410 0.139 1.00 0.00 C ATOM 1026 CD GLN A 66 3.490 -0.473 -0.106 1.00 0.00 C ATOM 1027 OE1 GLN A 66 2.821 -1.419 0.304 1.00 0.00 O ATOM 1028 NE2 GLN A 66 2.960 0.542 -0.779 1.00 0.00 N ATOM 0 H GLN A 66 7.468 1.691 1.256 1.00 0.00 H new ATOM 0 HA GLN A 66 4.951 2.102 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.314 0.114 1.732 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.615 0.255 2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.478 -0.001 -0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.370 -1.420 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.554 1.306 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.959 0.557 -0.974 1.00 0.00 H new ATOM 1037 N LEU A 67 5.280 2.998 3.218 1.00 0.00 N ATOM 1038 CA LEU A 67 4.669 3.752 4.305 1.00 0.00 C ATOM 1039 C LEU A 67 4.118 5.064 3.781 1.00 0.00 C ATOM 1040 O LEU A 67 2.958 5.406 4.015 1.00 0.00 O ATOM 1041 CB LEU A 67 5.694 4.014 5.409 1.00 0.00 C ATOM 1042 CG LEU A 67 5.100 4.279 6.791 1.00 0.00 C ATOM 1043 CD1 LEU A 67 4.207 5.508 6.756 1.00 0.00 C ATOM 1044 CD2 LEU A 67 4.323 3.066 7.274 1.00 0.00 C ATOM 0 H LEU A 67 6.245 2.718 3.392 1.00 0.00 H new ATOM 0 HA LEU A 67 3.850 3.166 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.362 3.155 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.304 4.870 5.122 1.00 0.00 H new ATOM 0 HG LEU A 67 5.915 4.466 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.791 5.684 7.748 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.793 6.375 6.449 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.396 5.348 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.906 3.270 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.515 2.850 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.991 2.206 7.333 1.00 0.00 H new ATOM 1056 N TYR A 68 4.953 5.784 3.049 1.00 0.00 N ATOM 1057 CA TYR A 68 4.545 7.049 2.464 1.00 0.00 C ATOM 1058 C TYR A 68 3.421 6.814 1.462 1.00 0.00 C ATOM 1059 O TYR A 68 2.581 7.686 1.238 1.00 0.00 O ATOM 1060 CB TYR A 68 5.732 7.731 1.776 1.00 0.00 C ATOM 1061 CG TYR A 68 6.877 8.080 2.710 1.00 0.00 C ATOM 1062 CD1 TYR A 68 6.814 7.800 4.073 1.00 0.00 C ATOM 1063 CD2 TYR A 68 8.024 8.695 2.222 1.00 0.00 C ATOM 1064 CE1 TYR A 68 7.860 8.123 4.917 1.00 0.00 C ATOM 1065 CE2 TYR A 68 9.074 9.020 3.061 1.00 0.00 C ATOM 1066 CZ TYR A 68 8.988 8.731 4.406 1.00 0.00 C ATOM 1067 OH TYR A 68 10.030 9.054 5.244 1.00 0.00 O ATOM 0 H TYR A 68 5.916 5.514 2.847 1.00 0.00 H new ATOM 0 HA TYR A 68 4.186 7.704 3.258 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.107 7.076 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.382 8.643 1.292 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.933 7.323 4.477 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.096 8.923 1.169 1.00 0.00 H new ATOM 0 HE1 TYR A 68 7.794 7.900 5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 68 9.957 9.498 2.664 1.00 0.00 H new ATOM 0 HH TYR A 68 10.748 9.475 4.726 1.00 0.00 H new ATOM 1077 N ASP A 69 3.411 5.623 0.865 1.00 0.00 N ATOM 1078 CA ASP A 69 2.390 5.265 -0.113 1.00 0.00 C ATOM 1079 C ASP A 69 1.011 5.184 0.531 1.00 0.00 C ATOM 1080 O ASP A 69 0.052 5.779 0.035 1.00 0.00 O ATOM 1081 CB ASP A 69 2.737 3.934 -0.784 1.00 0.00 C ATOM 1082 CG ASP A 69 3.055 4.097 -2.258 1.00 0.00 C ATOM 1083 OD1 ASP A 69 3.703 5.102 -2.618 1.00 0.00 O ATOM 1084 OD2 ASP A 69 2.657 3.218 -3.052 1.00 0.00 O ATOM 0 H ASP A 69 4.099 4.891 1.043 1.00 0.00 H new ATOM 0 HA ASP A 69 2.365 6.049 -0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.592 3.487 -0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.902 3.243 -0.669 1.00 0.00 H new ATOM 1089 N HIS A 70 0.910 4.464 1.642 1.00 0.00 N ATOM 1090 CA HIS A 70 -0.372 4.346 2.338 1.00 0.00 C ATOM 1091 C HIS A 70 -0.673 5.637 3.077 1.00 0.00 C ATOM 1092 O HIS A 70 -1.829 6.041 3.206 1.00 0.00 O ATOM 1093 CB HIS A 70 -0.403 3.165 3.323 1.00 0.00 C ATOM 1094 CG HIS A 70 0.776 2.248 3.245 1.00 0.00 C ATOM 1095 ND1 HIS A 70 1.786 2.256 4.178 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.098 1.287 2.348 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.680 1.341 3.861 1.00 0.00 C ATOM 1098 NE2 HIS A 70 2.288 0.736 2.756 1.00 0.00 N ATOM 0 H HIS A 70 1.683 3.960 2.077 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.134 4.156 1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.472 3.559 4.337 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.308 2.585 3.144 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.836 2.873 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.527 1.006 1.476 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.582 1.123 4.413 1.00 0.00 H new ATOM 1107 N TRP A 71 0.383 6.284 3.550 1.00 0.00 N ATOM 1108 CA TRP A 71 0.250 7.537 4.270 1.00 0.00 C ATOM 1109 C TRP A 71 -0.150 8.658 3.317 1.00 0.00 C ATOM 1110 O TRP A 71 -0.846 9.597 3.705 1.00 0.00 O ATOM 1111 CB TRP A 71 1.560 7.878 4.977 1.00 0.00 C ATOM 1112 CG TRP A 71 1.431 9.018 5.938 1.00 0.00 C ATOM 1113 CD1 TRP A 71 2.189 10.153 5.972 1.00 0.00 C ATOM 1114 CD2 TRP A 71 0.483 9.136 7.005 1.00 0.00 C ATOM 1115 NE1 TRP A 71 1.769 10.970 6.994 1.00 0.00 N ATOM 1116 CE2 TRP A 71 0.724 10.367 7.644 1.00 0.00 C ATOM 1117 CE3 TRP A 71 -0.547 8.320 7.482 1.00 0.00 C ATOM 1118 CZ2 TRP A 71 -0.028 10.800 8.733 1.00 0.00 C ATOM 1119 CZ3 TRP A 71 -1.292 8.751 8.564 1.00 0.00 C ATOM 1120 CH2 TRP A 71 -1.029 9.982 9.179 1.00 0.00 C ATOM 0 H TRP A 71 1.344 5.958 3.446 1.00 0.00 H new ATOM 0 HA TRP A 71 -0.533 7.429 5.020 1.00 0.00 H new ATOM 0 HB2 TRP A 71 1.916 6.998 5.513 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.315 8.124 4.230 1.00 0.00 H new ATOM 0 HD1 TRP A 71 3.000 10.376 5.295 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.170 11.878 7.230 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.757 7.370 7.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.172 11.749 9.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.090 8.128 8.941 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.629 10.291 10.022 1.00 0.00 H new ATOM 1131 N ARG A 72 0.282 8.549 2.061 1.00 0.00 N ATOM 1132 CA ARG A 72 -0.047 9.550 1.055 1.00 0.00 C ATOM 1133 C ARG A 72 -1.513 9.440 0.661 1.00 0.00 C ATOM 1134 O ARG A 72 -2.237 10.435 0.619 1.00 0.00 O ATOM 1135 CB ARG A 72 0.839 9.383 -0.183 1.00 0.00 C ATOM 1136 CG ARG A 72 2.111 10.213 -0.140 1.00 0.00 C ATOM 1137 CD ARG A 72 2.850 10.166 -1.467 1.00 0.00 C ATOM 1138 NE ARG A 72 4.287 10.371 -1.303 1.00 0.00 N ATOM 1139 CZ ARG A 72 5.194 10.039 -2.218 1.00 0.00 C ATOM 1140 NH1 ARG A 72 4.818 9.483 -3.363 1.00 0.00 N ATOM 1141 NH2 ARG A 72 6.481 10.263 -1.990 1.00 0.00 N ATOM 0 H ARG A 72 0.858 7.780 1.720 1.00 0.00 H new ATOM 0 HA ARG A 72 0.133 10.536 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.105 8.331 -0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.266 9.658 -1.069 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.865 11.246 0.104 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.761 9.844 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.674 9.203 -1.946 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.449 10.931 -2.132 1.00 0.00 H new ATOM 0 HE ARG A 72 4.615 10.794 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.830 9.308 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.517 9.230 -4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.777 10.690 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.175 10.008 -2.692 1.00 0.00 H new ATOM 1155 N GLY A 73 -1.945 8.218 0.382 1.00 0.00 N ATOM 1156 CA GLY A 73 -3.325 7.983 0.003 1.00 0.00 C ATOM 1157 C GLY A 73 -4.290 8.342 1.114 1.00 0.00 C ATOM 1158 O GLY A 73 -5.410 8.785 0.853 1.00 0.00 O ATOM 0 H GLY A 73 -1.362 7.382 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.561 8.569 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.454 6.934 -0.264 1.00 0.00 H new ATOM 1162 N THR A 74 -3.854 8.156 2.355 1.00 0.00 N ATOM 1163 CA THR A 74 -4.686 8.467 3.511 1.00 0.00 C ATOM 1164 C THR A 74 -4.789 9.975 3.708 1.00 0.00 C ATOM 1165 O THR A 74 -5.839 10.491 4.094 1.00 0.00 O ATOM 1166 CB THR A 74 -4.112 7.814 4.771 1.00 0.00 C ATOM 1167 OG1 THR A 74 -3.967 6.417 4.590 1.00 0.00 O ATOM 1168 CG2 THR A 74 -4.968 8.033 6.000 1.00 0.00 C ATOM 0 H THR A 74 -2.930 7.792 2.586 1.00 0.00 H new ATOM 0 HA THR A 74 -5.685 8.070 3.330 1.00 0.00 H new ATOM 0 HB THR A 74 -3.146 8.293 4.931 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.303 6.245 3.890 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.505 7.545 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.057 9.102 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.959 7.610 5.833 1.00 0.00 H new ATOM 1176 N LEU A 75 -3.694 10.678 3.438 1.00 0.00 N ATOM 1177 CA LEU A 75 -3.662 12.129 3.584 1.00 0.00 C ATOM 1178 C LEU A 75 -3.860 12.824 2.240 1.00 0.00 C ATOM 1179 O LEU A 75 -3.502 13.991 2.076 1.00 0.00 O ATOM 1180 CB LEU A 75 -2.336 12.569 4.207 1.00 0.00 C ATOM 1181 CG LEU A 75 -2.383 13.911 4.946 1.00 0.00 C ATOM 1182 CD1 LEU A 75 -1.859 13.758 6.367 1.00 0.00 C ATOM 1183 CD2 LEU A 75 -1.585 14.964 4.193 1.00 0.00 C ATOM 0 H LEU A 75 -2.817 10.267 3.117 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.482 12.418 4.242 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.006 11.799 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.584 12.631 3.420 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.421 14.238 4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.900 14.721 6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.473 13.037 6.906 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.828 13.407 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.630 15.910 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.547 14.643 4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.005 15.095 3.196 1.00 0.00 H new ATOM 1195 N ARG A 76 -4.434 12.105 1.278 1.00 0.00 N ATOM 1196 CA ARG A 76 -4.678 12.661 -0.048 1.00 0.00 C ATOM 1197 C ARG A 76 -6.024 13.377 -0.098 1.00 0.00 C ATOM 1198 O ARG A 76 -6.969 12.991 0.592 1.00 0.00 O ATOM 1199 CB ARG A 76 -4.638 11.555 -1.105 1.00 0.00 C ATOM 1200 CG ARG A 76 -4.247 12.049 -2.490 1.00 0.00 C ATOM 1201 CD ARG A 76 -5.472 12.358 -3.337 1.00 0.00 C ATOM 1202 NE ARG A 76 -6.175 11.145 -3.746 1.00 0.00 N ATOM 1203 CZ ARG A 76 -5.783 10.362 -4.749 1.00 0.00 C ATOM 1204 NH1 ARG A 76 -4.698 10.664 -5.450 1.00 0.00 N ATOM 1205 NH2 ARG A 76 -6.482 9.277 -5.055 1.00 0.00 N ATOM 0 H ARG A 76 -4.738 11.138 1.393 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.892 13.385 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.931 10.788 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.618 11.082 -1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.632 12.944 -2.398 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.639 11.294 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.151 12.998 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.169 12.917 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 76 -7.016 10.882 -3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.159 11.500 -5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.402 10.061 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.320 9.043 -4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.182 8.677 -5.823 1.00 0.00 H new ATOM 1219 N TYR A 77 -6.105 14.418 -0.918 1.00 0.00 N ATOM 1220 CA TYR A 77 -7.337 15.186 -1.058 1.00 0.00 C ATOM 1221 C TYR A 77 -7.439 15.800 -2.451 1.00 0.00 C ATOM 1222 O TYR A 77 -8.344 15.475 -3.219 1.00 0.00 O ATOM 1223 CB TYR A 77 -7.402 16.285 0.006 1.00 0.00 C ATOM 1224 CG TYR A 77 -8.733 16.359 0.721 1.00 0.00 C ATOM 1225 CD1 TYR A 77 -9.871 16.810 0.065 1.00 0.00 C ATOM 1226 CD2 TYR A 77 -8.851 15.976 2.051 1.00 0.00 C ATOM 1227 CE1 TYR A 77 -11.089 16.879 0.714 1.00 0.00 C ATOM 1228 CE2 TYR A 77 -10.064 16.042 2.707 1.00 0.00 C ATOM 1229 CZ TYR A 77 -11.181 16.494 2.036 1.00 0.00 C ATOM 1230 OH TYR A 77 -12.391 16.561 2.685 1.00 0.00 O ATOM 0 H TYR A 77 -5.333 14.750 -1.496 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.178 14.507 -0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.614 16.115 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.198 17.247 -0.464 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.803 17.112 -0.970 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.979 15.621 2.581 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.964 17.232 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.138 15.741 3.742 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.284 16.253 3.609 1.00 0.00 H new ATOM 1240 N LYS A 78 -6.505 16.690 -2.770 1.00 0.00 N ATOM 1241 CA LYS A 78 -6.488 17.349 -4.070 1.00 0.00 C ATOM 1242 C LYS A 78 -5.182 18.110 -4.277 1.00 0.00 C ATOM 1243 O LYS A 78 -4.794 18.935 -3.451 1.00 0.00 O ATOM 1244 CB LYS A 78 -7.678 18.303 -4.197 1.00 0.00 C ATOM 1245 CG LYS A 78 -8.783 17.782 -5.101 1.00 0.00 C ATOM 1246 CD LYS A 78 -10.141 18.329 -4.693 1.00 0.00 C ATOM 1247 CE LYS A 78 -11.106 18.369 -5.869 1.00 0.00 C ATOM 1248 NZ LYS A 78 -12.379 17.660 -5.566 1.00 0.00 N ATOM 0 H LYS A 78 -5.750 16.971 -2.145 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.565 16.582 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.090 18.491 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.326 19.260 -4.582 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.572 18.062 -6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.802 16.693 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.559 17.710 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.022 19.333 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.321 19.406 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.635 17.914 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.009 17.710 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.177 16.664 -5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.841 18.110 -4.750 1.00 0.00 H new ATOM 1262 N VAL A 79 -4.506 17.824 -5.387 1.00 0.00 N ATOM 1263 CA VAL A 79 -3.244 18.481 -5.701 1.00 0.00 C ATOM 1264 C VAL A 79 -3.150 18.805 -7.190 1.00 0.00 C ATOM 1265 O VAL A 79 -4.070 18.518 -7.956 1.00 0.00 O ATOM 1266 CB VAL A 79 -2.041 17.606 -5.303 1.00 0.00 C ATOM 1267 CG1 VAL A 79 -1.950 17.475 -3.791 1.00 0.00 C ATOM 1268 CG2 VAL A 79 -2.136 16.237 -5.959 1.00 0.00 C ATOM 0 H VAL A 79 -4.812 17.143 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.217 19.407 -5.126 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.131 18.091 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.094 16.853 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.829 18.463 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.862 17.015 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.277 15.633 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.053 15.743 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.145 16.353 -7.043 1.00 0.00 H new ATOM 1278 N ILE A 80 -2.031 19.407 -7.589 1.00 0.00 N ATOM 1279 CA ILE A 80 -1.798 19.779 -8.985 1.00 0.00 C ATOM 1280 C ILE A 80 -3.051 20.366 -9.632 1.00 0.00 C ATOM 1281 O ILE A 80 -3.644 19.762 -10.526 1.00 0.00 O ATOM 1282 CB ILE A 80 -1.311 18.574 -9.820 1.00 0.00 C ATOM 1283 CG1 ILE A 80 -2.245 17.376 -9.639 1.00 0.00 C ATOM 1284 CG2 ILE A 80 0.112 18.204 -9.431 1.00 0.00 C ATOM 1285 CD1 ILE A 80 -1.909 16.209 -10.541 1.00 0.00 C ATOM 0 H ILE A 80 -1.265 19.649 -6.960 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.019 20.541 -8.973 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.322 18.857 -10.872 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.204 17.047 -8.601 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.270 17.692 -9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.443 17.353 -10.027 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.771 19.053 -9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.143 17.940 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.611 15.395 -10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.978 16.523 -11.583 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.895 15.867 -10.332 1.00 0.00 H new ATOM 1297 N GLN A 81 -3.447 21.551 -9.176 1.00 0.00 N ATOM 1298 CA GLN A 81 -4.627 22.221 -9.710 1.00 0.00 C ATOM 1299 C GLN A 81 -4.260 23.571 -10.318 1.00 0.00 C ATOM 1300 O GLN A 81 -5.066 24.500 -10.324 1.00 0.00 O ATOM 1301 CB GLN A 81 -5.672 22.413 -8.608 1.00 0.00 C ATOM 1302 CG GLN A 81 -7.079 22.636 -9.136 1.00 0.00 C ATOM 1303 CD GLN A 81 -7.626 21.426 -9.869 1.00 0.00 C ATOM 1304 OE1 GLN A 81 -7.293 21.185 -11.030 1.00 0.00 O ATOM 1305 NE2 GLN A 81 -8.471 20.658 -9.192 1.00 0.00 N ATOM 0 H GLN A 81 -2.968 22.066 -8.438 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.046 21.592 -10.495 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.671 21.536 -7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.385 23.265 -7.991 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.740 22.882 -8.305 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -7.079 23.494 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.719 20.896 -8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.872 19.830 -9.632 1.00 0.00 H new ATOM 1314 N GLN A 82 -3.036 23.672 -10.828 1.00 0.00 N ATOM 1315 CA GLN A 82 -2.562 24.909 -11.439 1.00 0.00 C ATOM 1316 C GLN A 82 -2.621 26.065 -10.447 1.00 0.00 C ATOM 1317 O GLN A 82 -3.604 26.808 -10.400 1.00 0.00 O ATOM 1318 CB GLN A 82 -3.394 25.241 -12.679 1.00 0.00 C ATOM 1319 CG GLN A 82 -2.578 25.824 -13.822 1.00 0.00 C ATOM 1320 CD GLN A 82 -2.812 27.311 -14.007 1.00 0.00 C ATOM 1321 OE1 GLN A 82 -3.350 27.743 -15.027 1.00 0.00 O ATOM 1322 NE2 GLN A 82 -2.408 28.101 -13.021 1.00 0.00 N ATOM 0 H GLN A 82 -2.355 22.913 -10.830 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.523 24.763 -11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.893 24.335 -13.025 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.175 25.949 -12.403 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.519 25.647 -13.634 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.829 25.303 -14.746 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.967 27.699 -12.194 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.539 29.110 -13.090 1.00 0.00 H new ATOM 1331 N GLN A 83 -1.565 26.214 -9.654 1.00 0.00 N ATOM 1332 CA GLN A 83 -1.498 27.281 -8.661 1.00 0.00 C ATOM 1333 C GLN A 83 -0.800 28.510 -9.232 1.00 0.00 C ATOM 1334 O GLN A 83 -1.363 29.606 -9.247 1.00 0.00 O ATOM 1335 CB GLN A 83 -0.763 26.796 -7.411 1.00 0.00 C ATOM 1336 CG GLN A 83 -1.674 26.149 -6.381 1.00 0.00 C ATOM 1337 CD GLN A 83 -1.079 24.886 -5.787 1.00 0.00 C ATOM 1338 OE1 GLN A 83 -0.434 24.102 -6.485 1.00 0.00 O ATOM 1339 NE2 GLN A 83 -1.293 24.683 -4.493 1.00 0.00 N ATOM 0 H GLN A 83 -0.744 25.610 -9.679 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.517 27.557 -8.390 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.004 26.080 -7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.250 27.641 -6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -1.876 26.862 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -2.631 25.912 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.833 25.359 -3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.917 23.851 -4.038 1.00 0.00 H new ATOM 1348 N GLY A 84 0.428 28.324 -9.702 1.00 0.00 N ATOM 1349 CA GLY A 84 1.184 29.426 -10.267 1.00 0.00 C ATOM 1350 C GLY A 84 1.741 30.353 -9.205 1.00 0.00 C ATOM 1351 O GLY A 84 1.014 31.172 -8.643 1.00 0.00 O ATOM 0 H GLY A 84 0.915 27.428 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.004 29.030 -10.866 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.543 29.994 -10.941 1.00 0.00 H new ATOM 1355 N TYR A 85 3.035 30.224 -8.930 1.00 0.00 N ATOM 1356 CA TYR A 85 3.690 31.056 -7.928 1.00 0.00 C ATOM 1357 C TYR A 85 4.754 31.944 -8.568 1.00 0.00 C ATOM 1358 O TYR A 85 5.772 32.257 -7.950 1.00 0.00 O ATOM 1359 CB TYR A 85 4.326 30.181 -6.845 1.00 0.00 C ATOM 1360 CG TYR A 85 3.321 29.387 -6.040 1.00 0.00 C ATOM 1361 CD1 TYR A 85 2.575 29.991 -5.036 1.00 0.00 C ATOM 1362 CD2 TYR A 85 3.118 28.035 -6.287 1.00 0.00 C ATOM 1363 CE1 TYR A 85 1.655 29.269 -4.300 1.00 0.00 C ATOM 1364 CE2 TYR A 85 2.199 27.308 -5.554 1.00 0.00 C ATOM 1365 CZ TYR A 85 1.472 27.929 -4.562 1.00 0.00 C ATOM 1366 OH TYR A 85 0.556 27.207 -3.831 1.00 0.00 O ATOM 0 H TYR A 85 3.650 29.551 -9.387 1.00 0.00 H new ATOM 0 HA TYR A 85 2.934 31.695 -7.473 1.00 0.00 H new ATOM 0 HB2 TYR A 85 5.030 29.492 -7.313 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.901 30.814 -6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.716 31.041 -4.827 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.687 27.545 -7.063 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.082 29.753 -3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.051 26.258 -5.758 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.172 27.797 -3.545 1.00 0.00 H new ATOM 1376 N ARG A 86 4.510 32.348 -9.811 1.00 0.00 N ATOM 1377 CA ARG A 86 5.446 33.201 -10.534 1.00 0.00 C ATOM 1378 C ARG A 86 4.717 34.057 -11.565 1.00 0.00 C ATOM 1379 O ARG A 86 4.950 35.261 -11.664 1.00 0.00 O ATOM 1380 CB ARG A 86 6.514 32.350 -11.225 1.00 0.00 C ATOM 1381 CG ARG A 86 7.736 33.143 -11.658 1.00 0.00 C ATOM 1382 CD ARG A 86 8.998 32.295 -11.604 1.00 0.00 C ATOM 1383 NE ARG A 86 9.822 32.613 -10.441 1.00 0.00 N ATOM 1384 CZ ARG A 86 11.101 32.267 -10.322 1.00 0.00 C ATOM 1385 NH1 ARG A 86 11.707 31.591 -11.291 1.00 0.00 N ATOM 1386 NH2 ARG A 86 11.778 32.596 -9.230 1.00 0.00 N ATOM 0 H ARG A 86 3.673 32.099 -10.338 1.00 0.00 H new ATOM 0 HA ARG A 86 5.927 33.862 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.828 31.555 -10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.075 31.869 -12.099 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.589 33.515 -12.672 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.853 34.014 -11.013 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.725 31.240 -11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.579 32.451 -12.513 1.00 0.00 H new ATOM 0 HE ARG A 86 9.392 33.131 -9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.192 31.334 -12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.688 31.329 -11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.318 33.114 -8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.759 32.331 -9.139 1.00 0.00 H new ATOM 1400 N GLY A 87 3.833 33.426 -12.333 1.00 0.00 N ATOM 1401 CA GLY A 87 3.083 34.144 -13.346 1.00 0.00 C ATOM 1402 C GLY A 87 1.645 33.679 -13.442 1.00 0.00 C ATOM 1403 O GLY A 87 1.164 32.946 -12.577 1.00 0.00 O ATOM 0 H GLY A 87 3.623 32.430 -12.271 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.102 35.210 -13.120 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.569 34.014 -14.313 1.00 0.00 H new ATOM 1407 N LYS A 88 0.954 34.105 -14.495 1.00 0.00 N ATOM 1408 CA LYS A 88 -0.439 33.727 -14.699 1.00 0.00 C ATOM 1409 C LYS A 88 -0.579 32.792 -15.897 1.00 0.00 C ATOM 1410 O LYS A 88 -1.340 31.825 -15.855 1.00 0.00 O ATOM 1411 CB LYS A 88 -1.302 34.975 -14.904 1.00 0.00 C ATOM 1412 CG LYS A 88 -2.595 34.957 -14.106 1.00 0.00 C ATOM 1413 CD LYS A 88 -3.717 35.665 -14.849 1.00 0.00 C ATOM 1414 CE LYS A 88 -5.062 35.008 -14.585 1.00 0.00 C ATOM 1415 NZ LYS A 88 -5.858 35.756 -13.575 1.00 0.00 N ATOM 0 H LYS A 88 1.337 34.712 -15.220 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.782 33.199 -13.809 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.724 35.856 -14.625 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.540 35.072 -15.963 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.885 33.926 -13.904 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.435 35.438 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -3.755 36.710 -14.542 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.510 35.654 -15.919 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.624 34.946 -15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.905 33.986 -14.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.768 35.275 -13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.333 35.794 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.030 36.723 -13.916 1.00 0.00 H new ATOM 1429 N ASN A 89 0.161 33.086 -16.960 1.00 0.00 N ATOM 1430 CA ASN A 89 0.119 32.271 -18.170 1.00 0.00 C ATOM 1431 C ASN A 89 1.528 31.953 -18.659 1.00 0.00 C ATOM 1432 O ASN A 89 1.839 30.809 -18.988 1.00 0.00 O ATOM 1433 CB ASN A 89 -0.666 32.990 -19.268 1.00 0.00 C ATOM 1434 CG ASN A 89 -0.225 34.431 -19.446 1.00 0.00 C ATOM 1435 OD1 ASN A 89 -0.805 35.347 -18.864 1.00 0.00 O ATOM 1436 ND2 ASN A 89 0.808 34.638 -20.254 1.00 0.00 N ATOM 0 H ASN A 89 0.797 33.882 -17.009 1.00 0.00 H new ATOM 0 HA ASN A 89 -0.383 31.334 -17.930 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -0.541 32.456 -20.210 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -1.729 32.965 -19.027 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.150 35.586 -20.412 1.00 0.00 H new ATOM 0 HD22 ASN A 89 1.260 33.849 -20.717 1.00 0.00 H new ATOM 1443 N SER A 90 2.377 32.976 -18.706 1.00 0.00 N ATOM 1444 CA SER A 90 3.754 32.805 -19.156 1.00 0.00 C ATOM 1445 C SER A 90 4.567 34.071 -18.908 1.00 0.00 C ATOM 1446 O SER A 90 4.105 34.996 -18.240 1.00 0.00 O ATOM 1447 CB SER A 90 3.786 32.447 -20.644 1.00 0.00 C ATOM 1448 OG SER A 90 4.843 31.545 -20.929 1.00 0.00 O ATOM 0 H SER A 90 2.136 33.930 -18.438 1.00 0.00 H new ATOM 0 HA SER A 90 4.199 31.991 -18.584 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.835 32.001 -20.935 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.907 33.354 -21.237 1.00 0.00 H new ATOM 0 HG SER A 90 4.841 31.330 -21.885 1.00 0.00 H new ATOM 1454 N VAL A 91 5.781 34.104 -19.449 1.00 0.00 N ATOM 1455 CA VAL A 91 6.657 35.258 -19.285 1.00 0.00 C ATOM 1456 C VAL A 91 7.513 35.480 -20.528 1.00 0.00 C ATOM 1457 O VAL A 91 7.667 34.581 -21.355 1.00 0.00 O ATOM 1458 CB VAL A 91 7.583 35.093 -18.065 1.00 0.00 C ATOM 1459 CG1 VAL A 91 6.780 35.142 -16.774 1.00 0.00 C ATOM 1460 CG2 VAL A 91 8.371 33.795 -18.163 1.00 0.00 C ATOM 0 H VAL A 91 6.179 33.346 -20.004 1.00 0.00 H new ATOM 0 HA VAL A 91 6.012 36.123 -19.130 1.00 0.00 H new ATOM 0 HB VAL A 91 8.292 35.921 -18.056 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.451 35.024 -15.923 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.267 36.101 -16.701 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.046 34.336 -16.771 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.019 33.696 -17.292 1.00 0.00 H new ATOM 0 HG22 VAL A 91 7.681 32.952 -18.199 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.978 33.805 -19.068 1.00 0.00 H new ATOM 1470 N ALA A 92 8.065 36.682 -20.652 1.00 0.00 N ATOM 1471 CA ALA A 92 8.904 37.022 -21.795 1.00 0.00 C ATOM 1472 C ALA A 92 10.346 36.586 -21.564 1.00 0.00 C ATOM 1473 O ALA A 92 11.044 37.139 -20.713 1.00 0.00 O ATOM 1474 CB ALA A 92 8.840 38.517 -22.070 1.00 0.00 C ATOM 0 H ALA A 92 7.947 37.436 -19.976 1.00 0.00 H new ATOM 0 HA ALA A 92 8.525 36.487 -22.666 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.471 38.757 -22.926 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.811 38.803 -22.286 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.192 39.063 -21.195 1.00 0.00 H new ATOM 1480 N ALA A 93 10.788 35.591 -22.327 1.00 0.00 N ATOM 1481 CA ALA A 93 12.148 35.080 -22.206 1.00 0.00 C ATOM 1482 C ALA A 93 12.589 34.388 -23.491 1.00 0.00 C ATOM 1483 O ALA A 93 11.770 34.091 -24.360 1.00 0.00 O ATOM 1484 CB ALA A 93 12.248 34.124 -21.027 1.00 0.00 C ATOM 0 H ALA A 93 10.223 35.123 -23.036 1.00 0.00 H new ATOM 0 HA ALA A 93 12.815 35.924 -22.032 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.269 33.750 -20.948 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.982 34.649 -20.109 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.565 33.288 -21.178 1.00 0.00 H new ATOM 1490 N ARG A 94 13.890 34.136 -23.605 1.00 0.00 N ATOM 1491 CA ARG A 94 14.438 33.479 -24.785 1.00 0.00 C ATOM 1492 C ARG A 94 14.803 32.029 -24.481 1.00 0.00 C ATOM 1493 O ARG A 94 15.079 31.674 -23.335 1.00 0.00 O ATOM 1494 CB ARG A 94 15.671 34.234 -25.289 1.00 0.00 C ATOM 1495 CG ARG A 94 15.446 34.953 -26.609 1.00 0.00 C ATOM 1496 CD ARG A 94 14.574 36.187 -26.435 1.00 0.00 C ATOM 1497 NE ARG A 94 15.341 37.425 -26.560 1.00 0.00 N ATOM 1498 CZ ARG A 94 15.908 38.059 -25.536 1.00 0.00 C ATOM 1499 NH1 ARG A 94 15.799 37.582 -24.302 1.00 0.00 N ATOM 1500 NH2 ARG A 94 16.588 39.178 -25.747 1.00 0.00 N ATOM 0 H ARG A 94 14.582 34.377 -22.896 1.00 0.00 H new ATOM 0 HA ARG A 94 13.674 33.486 -25.562 1.00 0.00 H new ATOM 0 HB2 ARG A 94 15.975 34.961 -24.536 1.00 0.00 H new ATOM 0 HB3 ARG A 94 16.496 33.531 -25.404 1.00 0.00 H new ATOM 0 HG2 ARG A 94 16.407 35.243 -27.034 1.00 0.00 H new ATOM 0 HG3 ARG A 94 14.976 34.272 -27.319 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.779 36.177 -27.181 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.094 36.156 -25.457 1.00 0.00 H new ATOM 0 HE ARG A 94 15.449 37.829 -27.491 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.277 36.722 -24.132 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.237 38.075 -23.524 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.676 39.551 -26.692 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.023 39.666 -24.964 1.00 0.00 H new ATOM 1514 N SER A 95 14.808 31.197 -25.518 1.00 0.00 N ATOM 1515 CA SER A 95 15.142 29.785 -25.367 1.00 0.00 C ATOM 1516 C SER A 95 15.034 29.059 -26.708 1.00 0.00 C ATOM 1517 O SER A 95 16.003 28.464 -27.179 1.00 0.00 O ATOM 1518 CB SER A 95 14.231 29.126 -24.326 1.00 0.00 C ATOM 1519 OG SER A 95 13.948 27.778 -24.662 1.00 0.00 O ATOM 0 H SER A 95 14.584 31.477 -26.473 1.00 0.00 H new ATOM 0 HA SER A 95 16.173 29.712 -25.020 1.00 0.00 H new ATOM 0 HB2 SER A 95 14.708 29.166 -23.347 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.299 29.686 -24.250 1.00 0.00 H new ATOM 0 HG SER A 95 13.366 27.386 -23.978 1.00 0.00 H new ATOM 1525 N PRO A 96 13.848 29.096 -27.345 1.00 0.00 N ATOM 1526 CA PRO A 96 13.622 28.440 -28.632 1.00 0.00 C ATOM 1527 C PRO A 96 14.079 29.293 -29.814 1.00 0.00 C ATOM 1528 O PRO A 96 13.344 29.464 -30.786 1.00 0.00 O ATOM 1529 CB PRO A 96 12.108 28.267 -28.653 1.00 0.00 C ATOM 1530 CG PRO A 96 11.594 29.452 -27.908 1.00 0.00 C ATOM 1531 CD PRO A 96 12.631 29.778 -26.861 1.00 0.00 C ATOM 0 HA PRO A 96 14.183 27.511 -28.728 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.724 28.241 -29.673 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.807 27.335 -28.175 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.441 30.297 -28.580 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.631 29.233 -27.446 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.784 30.853 -26.771 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.334 29.415 -25.877 1.00 0.00 H new ATOM 1539 N GLU A 97 15.295 29.824 -29.727 1.00 0.00 N ATOM 1540 CA GLU A 97 15.842 30.657 -30.792 1.00 0.00 C ATOM 1541 C GLU A 97 16.411 29.794 -31.913 1.00 0.00 C ATOM 1542 O GLU A 97 16.136 30.027 -33.090 1.00 0.00 O ATOM 1543 CB GLU A 97 16.927 31.584 -30.240 1.00 0.00 C ATOM 1544 CG GLU A 97 16.423 32.976 -29.900 1.00 0.00 C ATOM 1545 CD GLU A 97 16.524 33.933 -31.073 1.00 0.00 C ATOM 1546 OE1 GLU A 97 17.458 33.779 -31.887 1.00 0.00 O ATOM 1547 OE2 GLU A 97 15.670 34.838 -31.174 1.00 0.00 O ATOM 0 H GLU A 97 15.919 29.692 -28.931 1.00 0.00 H new ATOM 0 HA GLU A 97 15.033 31.264 -31.199 1.00 0.00 H new ATOM 0 HB2 GLU A 97 17.357 31.134 -29.345 1.00 0.00 H new ATOM 0 HB3 GLU A 97 17.730 31.666 -30.973 1.00 0.00 H new ATOM 0 HG2 GLU A 97 15.385 32.914 -29.575 1.00 0.00 H new ATOM 0 HG3 GLU A 97 16.996 33.372 -29.062 1.00 0.00 H new ATOM 1554 N LYS A 98 17.203 28.796 -31.538 1.00 0.00 N ATOM 1555 CA LYS A 98 17.812 27.894 -32.510 1.00 0.00 C ATOM 1556 C LYS A 98 16.866 26.747 -32.855 1.00 0.00 C ATOM 1557 O LYS A 98 16.986 26.130 -33.914 1.00 0.00 O ATOM 1558 CB LYS A 98 19.129 27.339 -31.965 1.00 0.00 C ATOM 1559 CG LYS A 98 20.240 28.373 -31.893 1.00 0.00 C ATOM 1560 CD LYS A 98 20.089 29.270 -30.676 1.00 0.00 C ATOM 1561 CE LYS A 98 21.434 29.579 -30.038 1.00 0.00 C ATOM 1562 NZ LYS A 98 21.918 30.942 -30.394 1.00 0.00 N ATOM 0 H LYS A 98 17.439 28.590 -30.567 1.00 0.00 H new ATOM 0 HA LYS A 98 18.013 28.461 -33.419 1.00 0.00 H new ATOM 0 HB2 LYS A 98 18.958 26.932 -30.969 1.00 0.00 H new ATOM 0 HB3 LYS A 98 19.454 26.512 -32.596 1.00 0.00 H new ATOM 0 HG2 LYS A 98 21.206 27.869 -31.857 1.00 0.00 H new ATOM 0 HG3 LYS A 98 20.232 28.981 -32.798 1.00 0.00 H new ATOM 0 HD2 LYS A 98 19.602 30.200 -30.967 1.00 0.00 H new ATOM 0 HD3 LYS A 98 19.441 28.786 -29.945 1.00 0.00 H new ATOM 0 HE2 LYS A 98 21.350 29.495 -28.955 1.00 0.00 H new ATOM 0 HE3 LYS A 98 22.167 28.838 -30.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 22.837 31.114 -29.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 22.023 31.014 -31.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 21.232 31.651 -30.065 1.00 0.00 H new ATOM 1576 N ALA A 99 15.925 26.465 -31.958 1.00 0.00 N ATOM 1577 CA ALA A 99 14.960 25.392 -32.169 1.00 0.00 C ATOM 1578 C ALA A 99 15.647 24.031 -32.184 1.00 0.00 C ATOM 1579 O ALA A 99 16.129 23.577 -33.222 1.00 0.00 O ATOM 1580 CB ALA A 99 14.195 25.614 -33.467 1.00 0.00 C ATOM 0 H ALA A 99 15.811 26.966 -31.077 1.00 0.00 H new ATOM 0 HA ALA A 99 14.254 25.405 -31.339 1.00 0.00 H new ATOM 0 HB1 ALA A 99 13.479 24.805 -33.610 1.00 0.00 H new ATOM 0 HB2 ALA A 99 13.664 26.564 -33.418 1.00 0.00 H new ATOM 0 HB3 ALA A 99 14.894 25.632 -34.303 1.00 0.00 H new ATOM 1586 N SER A 100 15.689 23.384 -31.024 1.00 0.00 N ATOM 1587 CA SER A 100 16.316 22.074 -30.900 1.00 0.00 C ATOM 1588 C SER A 100 15.629 21.240 -29.823 1.00 0.00 C ATOM 1589 O SER A 100 16.203 20.977 -28.766 1.00 0.00 O ATOM 1590 CB SER A 100 17.802 22.226 -30.576 1.00 0.00 C ATOM 1591 OG SER A 100 17.990 22.744 -29.271 1.00 0.00 O ATOM 0 H SER A 100 15.296 23.746 -30.156 1.00 0.00 H new ATOM 0 HA SER A 100 16.211 21.557 -31.854 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.297 21.258 -30.661 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.270 22.888 -31.304 1.00 0.00 H new ATOM 0 HG SER A 100 17.498 22.194 -28.627 1.00 0.00 H new ATOM 1597 N ASN A 101 14.396 20.828 -30.098 1.00 0.00 N ATOM 1598 CA ASN A 101 13.629 20.024 -29.152 1.00 0.00 C ATOM 1599 C ASN A 101 12.296 19.599 -29.756 1.00 0.00 C ATOM 1600 O ASN A 101 11.389 20.417 -29.921 1.00 0.00 O ATOM 1601 CB ASN A 101 13.390 20.809 -27.860 1.00 0.00 C ATOM 1602 CG ASN A 101 12.908 19.925 -26.728 1.00 0.00 C ATOM 1603 OD1 ASN A 101 11.888 19.246 -26.847 1.00 0.00 O ATOM 1604 ND2 ASN A 101 13.639 19.930 -25.620 1.00 0.00 N ATOM 0 H ASN A 101 13.906 21.037 -30.968 1.00 0.00 H new ATOM 0 HA ASN A 101 14.206 19.128 -28.923 1.00 0.00 H new ATOM 0 HB2 ASN A 101 14.314 21.304 -27.562 1.00 0.00 H new ATOM 0 HB3 ASN A 101 12.654 21.592 -28.045 1.00 0.00 H new ATOM 0 HD21 ASN A 101 13.362 19.356 -24.824 1.00 0.00 H new ATOM 0 HD22 ASN A 101 14.477 20.508 -25.565 1.00 0.00 H new ATOM 1611 N MET A 102 12.182 18.317 -30.083 1.00 0.00 N ATOM 1612 CA MET A 102 10.957 17.784 -30.668 1.00 0.00 C ATOM 1613 C MET A 102 10.774 16.313 -30.303 1.00 0.00 C ATOM 1614 O MET A 102 10.201 15.540 -31.068 1.00 0.00 O ATOM 1615 CB MET A 102 10.983 17.943 -32.190 1.00 0.00 C ATOM 1616 CG MET A 102 10.491 19.299 -32.668 1.00 0.00 C ATOM 1617 SD MET A 102 10.754 19.549 -34.434 1.00 0.00 S ATOM 1618 CE MET A 102 12.543 19.524 -34.516 1.00 0.00 C ATOM 0 H MET A 102 12.922 17.628 -29.953 1.00 0.00 H new ATOM 0 HA MET A 102 10.116 18.348 -30.264 1.00 0.00 H new ATOM 0 HB2 MET A 102 12.002 17.789 -32.546 1.00 0.00 H new ATOM 0 HB3 MET A 102 10.368 17.163 -32.639 1.00 0.00 H new ATOM 0 HG2 MET A 102 9.428 19.395 -32.446 1.00 0.00 H new ATOM 0 HG3 MET A 102 11.005 20.084 -32.113 1.00 0.00 H new ATOM 0 HE1 MET A 102 12.890 20.342 -35.147 1.00 0.00 H new ATOM 0 HE2 MET A 102 12.955 19.639 -33.513 1.00 0.00 H new ATOM 0 HE3 MET A 102 12.875 18.575 -34.938 1.00 0.00 H new ATOM 1628 N GLU A 103 11.266 15.936 -29.128 1.00 0.00 N ATOM 1629 CA GLU A 103 11.157 14.559 -28.659 1.00 0.00 C ATOM 1630 C GLU A 103 11.842 13.599 -29.628 1.00 0.00 C ATOM 1631 O GLU A 103 11.248 13.172 -30.617 1.00 0.00 O ATOM 1632 CB GLU A 103 9.686 14.170 -28.491 1.00 0.00 C ATOM 1633 CG GLU A 103 9.153 14.404 -27.087 1.00 0.00 C ATOM 1634 CD GLU A 103 7.649 14.228 -26.998 1.00 0.00 C ATOM 1635 OE1 GLU A 103 6.951 14.588 -27.970 1.00 0.00 O ATOM 1636 OE2 GLU A 103 7.170 13.731 -25.959 1.00 0.00 O ATOM 0 H GLU A 103 11.744 16.565 -28.483 1.00 0.00 H new ATOM 0 HA GLU A 103 11.656 14.489 -27.693 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.085 14.740 -29.199 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.566 13.117 -28.746 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.638 13.712 -26.398 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.417 15.411 -26.765 1.00 0.00 H new ATOM 1643 N ASN A 104 13.094 13.266 -29.334 1.00 0.00 N ATOM 1644 CA ASN A 104 13.861 12.356 -30.178 1.00 0.00 C ATOM 1645 C ASN A 104 14.375 11.168 -29.372 1.00 0.00 C ATOM 1646 O ASN A 104 14.926 11.335 -28.284 1.00 0.00 O ATOM 1647 CB ASN A 104 15.034 13.094 -30.826 1.00 0.00 C ATOM 1648 CG ASN A 104 15.327 12.598 -32.227 1.00 0.00 C ATOM 1649 OD1 ASN A 104 14.428 12.495 -33.063 1.00 0.00 O ATOM 1650 ND2 ASN A 104 16.591 12.288 -32.494 1.00 0.00 N ATOM 0 H ASN A 104 13.599 13.612 -28.518 1.00 0.00 H new ATOM 0 HA ASN A 104 13.200 11.982 -30.960 1.00 0.00 H new ATOM 0 HB2 ASN A 104 14.814 14.161 -30.860 1.00 0.00 H new ATOM 0 HB3 ASN A 104 15.923 12.972 -30.207 1.00 0.00 H new ATOM 0 HD21 ASN A 104 16.848 11.950 -33.421 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.304 12.388 -31.772 1.00 0.00 H new ATOM 1657 N ASN A 105 14.192 9.968 -29.913 1.00 0.00 N ATOM 1658 CA ASN A 105 14.638 8.752 -29.243 1.00 0.00 C ATOM 1659 C ASN A 105 16.007 8.319 -29.756 1.00 0.00 C ATOM 1660 O ASN A 105 16.111 7.435 -30.607 1.00 0.00 O ATOM 1661 CB ASN A 105 13.622 7.628 -29.455 1.00 0.00 C ATOM 1662 CG ASN A 105 12.258 7.967 -28.888 1.00 0.00 C ATOM 1663 OD1 ASN A 105 11.814 9.113 -28.950 1.00 0.00 O ATOM 1664 ND2 ASN A 105 11.582 6.967 -28.332 1.00 0.00 N ATOM 0 H ASN A 105 13.738 9.812 -30.813 1.00 0.00 H new ATOM 0 HA ASN A 105 14.720 8.963 -28.177 1.00 0.00 H new ATOM 0 HB2 ASN A 105 13.528 7.423 -30.521 1.00 0.00 H new ATOM 0 HB3 ASN A 105 13.991 6.716 -28.986 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.657 7.135 -27.935 1.00 0.00 H new ATOM 0 HD22 ASN A 105 11.988 6.032 -28.302 1.00 0.00 H new ATOM 1671 N GLU A 106 17.054 8.949 -29.235 1.00 0.00 N ATOM 1672 CA GLU A 106 18.418 8.629 -29.640 1.00 0.00 C ATOM 1673 C GLU A 106 18.616 8.880 -31.131 1.00 0.00 C ATOM 1674 O GLU A 106 19.701 8.546 -31.648 1.00 0.00 O ATOM 1675 CB GLU A 106 18.742 7.169 -29.306 1.00 0.00 C ATOM 1676 CG GLU A 106 19.870 7.012 -28.298 1.00 0.00 C ATOM 1677 CD GLU A 106 21.203 7.490 -28.837 1.00 0.00 C ATOM 1678 OE1 GLU A 106 21.565 7.094 -29.964 1.00 0.00 O ATOM 1679 OE2 GLU A 106 21.885 8.263 -28.131 1.00 0.00 O ATOM 1680 OXT GLU A 106 17.681 9.410 -31.770 1.00 0.00 O ATOM 0 H GLU A 106 16.984 9.684 -28.531 1.00 0.00 H new ATOM 0 HA GLU A 106 19.097 9.279 -29.089 1.00 0.00 H new ATOM 0 HB2 GLU A 106 17.846 6.687 -28.915 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.010 6.646 -30.224 1.00 0.00 H new ATOM 0 HG2 GLU A 106 19.626 7.571 -27.395 1.00 0.00 H new ATOM 0 HG3 GLU A 106 19.953 5.964 -28.011 1.00 0.00 H new TER 1687 GLU A 106