USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 716 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 73 MET CE :methyl -126:sc= -0.47 (180deg=-1.3) USER MOD Set 1.2: A 76 GLN : amide:sc= -0.0796 X(o=-0.55,f=-0.92) USER MOD Set 2.1: A 52 SER OG : rot -170:sc= 0.0112 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 47 ASN : amide:sc= -0.123 X(o=-0.24,f=-0.29) USER MOD Set 3.2: A 55 ASN : amide:sc= -0.12 X(o=-0.24,f=-0.01) USER MOD Set 4.1: A 15 SER OG : rot 158:sc= 0 USER MOD Set 4.2: A 81 HIS : no HD1:sc= -0.0725 K(o=-0.073,f=-5.5!) USER MOD Set 5.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 19 MET CE :methyl -116:sc= 0 (180deg=-0.205) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 159:sc= -5.89! USER MOD Single : A 38 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-1.2) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 49 ASN : amide:sc= -0.0459 X(o=-0.046,f=-0.46) USER MOD Single : A 56 CYS SG : rot 12:sc= -1.68 USER MOD Single : A 61 GLN : amide:sc= -0.387 K(o=-0.39,f=-3.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.456 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= -0.433 USER MOD Single : A 80 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.014) USER MOD Single : A 83 SER OG : rot 180:sc= -0.0018 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 47:sc= 0.0135 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.441 -27.781 0.494 1.00 0.00 N ATOM 2 CA GLY A 1 0.871 -27.069 -0.637 1.00 0.00 C ATOM 3 C GLY A 1 -0.646 -27.261 -0.698 1.00 0.00 C ATOM 4 O GLY A 1 -1.132 -28.390 -0.709 1.00 0.00 O ATOM 0 H1 GLY A 1 2.471 -27.635 0.513 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.024 -27.422 1.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.237 -28.797 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.104 -26.007 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.324 -27.426 -1.562 1.00 0.00 H new ATOM 8 N SER A 2 -1.351 -26.140 -0.736 1.00 0.00 N ATOM 9 CA SER A 2 -2.802 -26.170 -0.796 1.00 0.00 C ATOM 10 C SER A 2 -3.261 -26.534 -2.209 1.00 0.00 C ATOM 11 O SER A 2 -2.779 -25.965 -3.188 1.00 0.00 O ATOM 12 CB SER A 2 -3.399 -24.826 -0.374 1.00 0.00 C ATOM 13 OG SER A 2 -2.911 -23.751 -1.172 1.00 0.00 O ATOM 0 H SER A 2 -0.944 -25.205 -0.726 1.00 0.00 H new ATOM 0 HA SER A 2 -3.157 -26.929 -0.099 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.485 -24.871 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.162 -24.637 0.673 1.00 0.00 H new ATOM 0 HG SER A 2 -3.317 -22.911 -0.872 1.00 0.00 H new ATOM 19 N SER A 3 -4.186 -27.481 -2.272 1.00 0.00 N ATOM 20 CA SER A 3 -4.714 -27.927 -3.549 1.00 0.00 C ATOM 21 C SER A 3 -6.230 -27.724 -3.588 1.00 0.00 C ATOM 22 O SER A 3 -6.987 -28.581 -3.136 1.00 0.00 O ATOM 23 CB SER A 3 -4.369 -29.396 -3.805 1.00 0.00 C ATOM 24 OG SER A 3 -4.701 -29.799 -5.131 1.00 0.00 O ATOM 0 H SER A 3 -4.583 -27.951 -1.459 1.00 0.00 H new ATOM 0 HA SER A 3 -4.253 -27.331 -4.337 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.304 -29.553 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.903 -30.023 -3.091 1.00 0.00 H new ATOM 0 HG SER A 3 -4.464 -30.742 -5.255 1.00 0.00 H new ATOM 30 N GLY A 4 -6.628 -26.583 -4.133 1.00 0.00 N ATOM 31 CA GLY A 4 -8.040 -26.256 -4.237 1.00 0.00 C ATOM 32 C GLY A 4 -8.272 -24.757 -4.039 1.00 0.00 C ATOM 33 O GLY A 4 -8.579 -24.314 -2.934 1.00 0.00 O ATOM 0 H GLY A 4 -5.997 -25.874 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.416 -26.560 -5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.603 -26.816 -3.490 1.00 0.00 H new ATOM 37 N SER A 5 -8.115 -24.017 -5.127 1.00 0.00 N ATOM 38 CA SER A 5 -8.303 -22.577 -5.086 1.00 0.00 C ATOM 39 C SER A 5 -8.974 -22.101 -6.376 1.00 0.00 C ATOM 40 O SER A 5 -8.309 -21.579 -7.270 1.00 0.00 O ATOM 41 CB SER A 5 -6.970 -21.853 -4.883 1.00 0.00 C ATOM 42 OG SER A 5 -6.409 -22.119 -3.600 1.00 0.00 O ATOM 0 H SER A 5 -7.860 -24.388 -6.042 1.00 0.00 H new ATOM 0 HA SER A 5 -8.947 -22.340 -4.239 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.268 -22.162 -5.657 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.119 -20.779 -4.998 1.00 0.00 H new ATOM 0 HG SER A 5 -5.558 -21.641 -3.509 1.00 0.00 H new ATOM 48 N SER A 6 -10.283 -22.297 -6.431 1.00 0.00 N ATOM 49 CA SER A 6 -11.052 -21.894 -7.597 1.00 0.00 C ATOM 50 C SER A 6 -12.261 -21.063 -7.164 1.00 0.00 C ATOM 51 O SER A 6 -13.364 -21.590 -7.028 1.00 0.00 O ATOM 52 CB SER A 6 -11.505 -23.111 -8.405 1.00 0.00 C ATOM 53 OG SER A 6 -11.171 -22.990 -9.785 1.00 0.00 O ATOM 0 H SER A 6 -10.831 -22.729 -5.687 1.00 0.00 H new ATOM 0 HA SER A 6 -10.412 -21.286 -8.236 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.042 -24.010 -7.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.583 -23.233 -8.302 1.00 0.00 H new ATOM 0 HG SER A 6 -11.475 -23.788 -10.266 1.00 0.00 H new ATOM 59 N GLY A 7 -12.014 -19.778 -6.959 1.00 0.00 N ATOM 60 CA GLY A 7 -13.069 -18.869 -6.545 1.00 0.00 C ATOM 61 C GLY A 7 -12.536 -17.821 -5.565 1.00 0.00 C ATOM 62 O GLY A 7 -12.616 -16.622 -5.828 1.00 0.00 O ATOM 0 H GLY A 7 -11.098 -19.344 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.491 -18.373 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.877 -19.432 -6.077 1.00 0.00 H new ATOM 66 N VAL A 8 -12.005 -18.312 -4.454 1.00 0.00 N ATOM 67 CA VAL A 8 -11.460 -17.433 -3.434 1.00 0.00 C ATOM 68 C VAL A 8 -10.361 -16.564 -4.049 1.00 0.00 C ATOM 69 O VAL A 8 -9.758 -16.939 -5.054 1.00 0.00 O ATOM 70 CB VAL A 8 -10.973 -18.256 -2.240 1.00 0.00 C ATOM 71 CG1 VAL A 8 -12.121 -19.057 -1.622 1.00 0.00 C ATOM 72 CG2 VAL A 8 -9.818 -19.174 -2.641 1.00 0.00 C ATOM 0 H VAL A 8 -11.941 -19.307 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.232 -16.762 -3.056 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.603 -17.563 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.748 -19.633 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.899 -18.374 -1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.535 -19.735 -2.368 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.491 -19.748 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.150 -19.857 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.988 -18.573 -3.013 1.00 0.00 H new ATOM 82 N PRO A 9 -10.127 -15.390 -3.404 1.00 0.00 N ATOM 83 CA PRO A 9 -9.111 -14.466 -3.877 1.00 0.00 C ATOM 84 C PRO A 9 -7.708 -14.972 -3.536 1.00 0.00 C ATOM 85 O PRO A 9 -7.542 -16.116 -3.117 1.00 0.00 O ATOM 86 CB PRO A 9 -9.443 -13.141 -3.210 1.00 0.00 C ATOM 87 CG PRO A 9 -10.344 -13.481 -2.034 1.00 0.00 C ATOM 88 CD PRO A 9 -10.821 -14.913 -2.212 1.00 0.00 C ATOM 0 HA PRO A 9 -9.110 -14.361 -4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.538 -12.635 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.945 -12.469 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.802 -13.373 -1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.193 -12.798 -1.993 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.577 -15.522 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.903 -14.957 -2.339 1.00 0.00 H new ATOM 96 N GLU A 10 -6.734 -14.095 -3.730 1.00 0.00 N ATOM 97 CA GLU A 10 -5.350 -14.438 -3.448 1.00 0.00 C ATOM 98 C GLU A 10 -4.790 -13.530 -2.352 1.00 0.00 C ATOM 99 O GLU A 10 -4.922 -12.310 -2.425 1.00 0.00 O ATOM 100 CB GLU A 10 -4.497 -14.358 -4.715 1.00 0.00 C ATOM 101 CG GLU A 10 -4.417 -12.921 -5.233 1.00 0.00 C ATOM 102 CD GLU A 10 -4.885 -12.834 -6.687 1.00 0.00 C ATOM 103 OE1 GLU A 10 -4.660 -13.825 -7.415 1.00 0.00 O ATOM 104 OE2 GLU A 10 -5.456 -11.780 -7.038 1.00 0.00 O ATOM 0 H GLU A 10 -6.876 -13.147 -4.079 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.317 -15.467 -3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.494 -14.729 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.922 -15.003 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.032 -12.272 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.392 -12.559 -5.155 1.00 0.00 H new ATOM 111 N LYS A 11 -4.178 -14.161 -1.361 1.00 0.00 N ATOM 112 CA LYS A 11 -3.597 -13.426 -0.250 1.00 0.00 C ATOM 113 C LYS A 11 -2.078 -13.606 -0.263 1.00 0.00 C ATOM 114 O LYS A 11 -1.569 -14.577 -0.822 1.00 0.00 O ATOM 115 CB LYS A 11 -4.255 -13.839 1.068 1.00 0.00 C ATOM 116 CG LYS A 11 -5.726 -13.423 1.101 1.00 0.00 C ATOM 117 CD LYS A 11 -6.312 -13.590 2.504 1.00 0.00 C ATOM 118 CE LYS A 11 -7.829 -13.386 2.493 1.00 0.00 C ATOM 119 NZ LYS A 11 -8.510 -14.536 3.129 1.00 0.00 N ATOM 0 H LYS A 11 -4.072 -15.174 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.792 -12.359 -0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.176 -14.919 1.195 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.725 -13.380 1.903 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.821 -12.384 0.785 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.294 -14.025 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.078 -14.585 2.884 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.850 -12.873 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.082 -12.467 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.179 -13.270 1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.538 -14.382 3.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.282 -15.406 2.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.189 -14.629 4.114 1.00 0.00 H new ATOM 133 N PHE A 12 -1.396 -12.656 0.359 1.00 0.00 N ATOM 134 CA PHE A 12 0.055 -12.698 0.427 1.00 0.00 C ATOM 135 C PHE A 12 0.552 -12.283 1.813 1.00 0.00 C ATOM 136 O PHE A 12 0.182 -11.225 2.318 1.00 0.00 O ATOM 137 CB PHE A 12 0.580 -11.702 -0.609 1.00 0.00 C ATOM 138 CG PHE A 12 0.046 -11.935 -2.024 1.00 0.00 C ATOM 139 CD1 PHE A 12 0.676 -12.811 -2.852 1.00 0.00 C ATOM 140 CD2 PHE A 12 -1.059 -11.268 -2.453 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.181 -13.028 -4.165 1.00 0.00 C ATOM 142 CE2 PHE A 12 -1.554 -11.485 -3.766 1.00 0.00 C ATOM 143 CZ PHE A 12 -0.924 -12.360 -4.594 1.00 0.00 C ATOM 0 H PHE A 12 -1.821 -11.852 0.821 1.00 0.00 H new ATOM 0 HA PHE A 12 0.407 -13.711 0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.316 -10.693 -0.294 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.669 -11.755 -0.629 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.553 -13.341 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.560 -10.573 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.681 -13.723 -4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.431 -10.955 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.301 -12.525 -5.593 1.00 0.00 H new ATOM 153 N LYS A 13 1.383 -13.140 2.389 1.00 0.00 N ATOM 154 CA LYS A 13 1.934 -12.875 3.707 1.00 0.00 C ATOM 155 C LYS A 13 2.716 -11.561 3.674 1.00 0.00 C ATOM 156 O LYS A 13 3.484 -11.314 2.746 1.00 0.00 O ATOM 157 CB LYS A 13 2.759 -14.069 4.192 1.00 0.00 C ATOM 158 CG LYS A 13 2.656 -14.227 5.711 1.00 0.00 C ATOM 159 CD LYS A 13 3.608 -13.267 6.427 1.00 0.00 C ATOM 160 CE LYS A 13 4.225 -13.926 7.662 1.00 0.00 C ATOM 161 NZ LYS A 13 5.638 -13.516 7.817 1.00 0.00 N ATOM 0 H LYS A 13 1.688 -14.017 1.967 1.00 0.00 H new ATOM 0 HA LYS A 13 1.134 -12.752 4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.410 -14.979 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.802 -13.934 3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.632 -14.036 6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.891 -15.254 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.398 -12.956 5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.069 -12.367 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.660 -13.647 8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.163 -15.010 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.041 -13.972 8.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.177 -13.804 6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.690 -12.483 7.924 1.00 0.00 H new ATOM 175 N LEU A 14 2.493 -10.751 4.699 1.00 0.00 N ATOM 176 CA LEU A 14 3.167 -9.468 4.799 1.00 0.00 C ATOM 177 C LEU A 14 4.540 -9.667 5.444 1.00 0.00 C ATOM 178 O LEU A 14 4.772 -10.665 6.123 1.00 0.00 O ATOM 179 CB LEU A 14 2.285 -8.455 5.531 1.00 0.00 C ATOM 180 CG LEU A 14 1.220 -7.756 4.683 1.00 0.00 C ATOM 181 CD1 LEU A 14 -0.186 -8.076 5.196 1.00 0.00 C ATOM 182 CD2 LEU A 14 1.476 -6.249 4.614 1.00 0.00 C ATOM 0 H LEU A 14 1.855 -10.959 5.467 1.00 0.00 H new ATOM 0 HA LEU A 14 3.338 -9.049 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.787 -8.966 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.929 -7.693 5.970 1.00 0.00 H new ATOM 0 HG LEU A 14 1.287 -8.141 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.924 -7.567 4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.354 -9.152 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.283 -7.737 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.705 -5.776 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.452 -5.829 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.453 -6.066 4.168 1.00 0.00 H new ATOM 194 N SER A 15 5.415 -8.700 5.208 1.00 0.00 N ATOM 195 CA SER A 15 6.759 -8.756 5.757 1.00 0.00 C ATOM 196 C SER A 15 6.766 -8.197 7.181 1.00 0.00 C ATOM 197 O SER A 15 5.797 -7.574 7.612 1.00 0.00 O ATOM 198 CB SER A 15 7.746 -7.984 4.879 1.00 0.00 C ATOM 199 OG SER A 15 8.554 -8.855 4.092 1.00 0.00 O ATOM 0 H SER A 15 5.219 -7.873 4.644 1.00 0.00 H new ATOM 0 HA SER A 15 7.075 -9.799 5.781 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.197 -7.308 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.386 -7.367 5.509 1.00 0.00 H new ATOM 0 HG SER A 15 8.904 -8.366 3.318 1.00 0.00 H new ATOM 205 N THR A 16 7.870 -8.439 7.872 1.00 0.00 N ATOM 206 CA THR A 16 8.016 -7.967 9.239 1.00 0.00 C ATOM 207 C THR A 16 7.954 -6.439 9.285 1.00 0.00 C ATOM 208 O THR A 16 7.326 -5.867 10.175 1.00 0.00 O ATOM 209 CB THR A 16 9.320 -8.539 9.800 1.00 0.00 C ATOM 210 OG1 THR A 16 9.061 -9.935 9.926 1.00 0.00 O ATOM 211 CG2 THR A 16 9.592 -8.079 11.233 1.00 0.00 C ATOM 0 H THR A 16 8.672 -8.956 7.511 1.00 0.00 H new ATOM 0 HA THR A 16 7.195 -8.314 9.867 1.00 0.00 H new ATOM 0 HB THR A 16 10.151 -8.243 9.160 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.856 -10.384 10.282 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.529 -8.513 11.583 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.664 -6.992 11.259 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.777 -8.404 11.880 1.00 0.00 H new ATOM 219 N ALA A 17 8.612 -5.822 8.315 1.00 0.00 N ATOM 220 CA ALA A 17 8.639 -4.372 8.234 1.00 0.00 C ATOM 221 C ALA A 17 7.264 -3.864 7.797 1.00 0.00 C ATOM 222 O ALA A 17 6.705 -2.962 8.419 1.00 0.00 O ATOM 223 CB ALA A 17 9.753 -3.934 7.280 1.00 0.00 C ATOM 0 H ALA A 17 9.131 -6.300 7.578 1.00 0.00 H new ATOM 0 HA ALA A 17 8.856 -3.937 9.210 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.773 -2.846 7.219 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.712 -4.295 7.651 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.568 -4.349 6.289 1.00 0.00 H new ATOM 229 N LEU A 18 6.758 -4.466 6.731 1.00 0.00 N ATOM 230 CA LEU A 18 5.458 -4.086 6.203 1.00 0.00 C ATOM 231 C LEU A 18 4.397 -4.274 7.289 1.00 0.00 C ATOM 232 O LEU A 18 3.516 -3.432 7.454 1.00 0.00 O ATOM 233 CB LEU A 18 5.159 -4.851 4.913 1.00 0.00 C ATOM 234 CG LEU A 18 4.412 -4.072 3.829 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.219 -2.855 3.373 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.039 -4.983 2.657 1.00 0.00 C ATOM 0 H LEU A 18 7.224 -5.214 6.218 1.00 0.00 H new ATOM 0 HA LEU A 18 5.452 -3.031 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.103 -5.202 4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.574 -5.735 5.166 1.00 0.00 H new ATOM 0 HG LEU A 18 3.481 -3.700 4.257 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.665 -2.319 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.391 -2.194 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.177 -3.184 2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.509 -4.404 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.945 -5.405 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.397 -5.789 3.013 1.00 0.00 H new ATOM 248 N MET A 19 4.516 -5.385 8.003 1.00 0.00 N ATOM 249 CA MET A 19 3.578 -5.694 9.068 1.00 0.00 C ATOM 250 C MET A 19 3.658 -4.654 10.188 1.00 0.00 C ATOM 251 O MET A 19 2.778 -4.591 11.045 1.00 0.00 O ATOM 252 CB MET A 19 3.889 -7.080 9.636 1.00 0.00 C ATOM 253 CG MET A 19 3.188 -8.174 8.827 1.00 0.00 C ATOM 254 SD MET A 19 2.785 -9.553 9.886 1.00 0.00 S ATOM 255 CE MET A 19 4.387 -10.332 10.003 1.00 0.00 C ATOM 0 H MET A 19 5.248 -6.082 7.864 1.00 0.00 H new ATOM 0 HA MET A 19 2.570 -5.679 8.654 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.966 -7.248 9.625 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.569 -7.131 10.677 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.281 -7.777 8.372 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.833 -8.506 8.013 1.00 0.00 H new ATOM 0 HE1 MET A 19 4.344 -11.323 9.550 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.126 -9.726 9.479 1.00 0.00 H new ATOM 0 HE3 MET A 19 4.671 -10.424 11.051 1.00 0.00 H new ATOM 265 N ASP A 20 4.721 -3.865 10.144 1.00 0.00 N ATOM 266 CA ASP A 20 4.927 -2.831 11.144 1.00 0.00 C ATOM 267 C ASP A 20 4.471 -1.484 10.580 1.00 0.00 C ATOM 268 O ASP A 20 4.280 -0.526 11.329 1.00 0.00 O ATOM 269 CB ASP A 20 6.407 -2.712 11.516 1.00 0.00 C ATOM 270 CG ASP A 20 6.678 -2.342 12.976 1.00 0.00 C ATOM 271 OD1 ASP A 20 6.045 -2.974 13.849 1.00 0.00 O ATOM 272 OD2 ASP A 20 7.514 -1.436 13.186 1.00 0.00 O ATOM 0 H ASP A 20 5.449 -3.921 9.432 1.00 0.00 H new ATOM 0 HA ASP A 20 4.353 -3.100 12.031 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.898 -3.661 11.300 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.868 -1.961 10.875 1.00 0.00 H new ATOM 277 N VAL A 21 4.311 -1.453 9.266 1.00 0.00 N ATOM 278 CA VAL A 21 3.881 -0.239 8.593 1.00 0.00 C ATOM 279 C VAL A 21 2.362 -0.102 8.716 1.00 0.00 C ATOM 280 O VAL A 21 1.862 0.929 9.164 1.00 0.00 O ATOM 281 CB VAL A 21 4.365 -0.246 7.141 1.00 0.00 C ATOM 282 CG1 VAL A 21 3.766 0.925 6.358 1.00 0.00 C ATOM 283 CG2 VAL A 21 5.893 -0.228 7.072 1.00 0.00 C ATOM 0 H VAL A 21 4.471 -2.249 8.649 1.00 0.00 H new ATOM 0 HA VAL A 21 4.325 0.637 9.066 1.00 0.00 H new ATOM 0 HB VAL A 21 4.020 -1.170 6.677 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.126 0.897 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.679 0.849 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.066 1.864 6.822 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.210 -0.233 6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.269 0.671 7.561 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.290 -1.109 7.577 1.00 0.00 H new ATOM 293 N LEU A 22 1.671 -1.158 8.312 1.00 0.00 N ATOM 294 CA LEU A 22 0.219 -1.169 8.372 1.00 0.00 C ATOM 295 C LEU A 22 -0.228 -1.821 9.681 1.00 0.00 C ATOM 296 O LEU A 22 -0.866 -1.178 10.513 1.00 0.00 O ATOM 297 CB LEU A 22 -0.364 -1.833 7.123 1.00 0.00 C ATOM 298 CG LEU A 22 0.359 -1.538 5.807 1.00 0.00 C ATOM 299 CD1 LEU A 22 0.151 -2.673 4.801 1.00 0.00 C ATOM 300 CD2 LEU A 22 -0.067 -0.183 5.239 1.00 0.00 C ATOM 0 H LEU A 22 2.089 -2.012 7.942 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.170 -0.151 8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.369 -2.912 7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.403 -1.521 7.021 1.00 0.00 H new ATOM 0 HG LEU A 22 1.428 -1.480 6.010 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.675 -2.439 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.543 -3.602 5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.914 -2.788 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.462 0.002 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.141 -0.188 5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.175 0.603 5.954 1.00 0.00 H new ATOM 312 N GLY A 23 0.125 -3.091 9.823 1.00 0.00 N ATOM 313 CA GLY A 23 -0.232 -3.837 11.017 1.00 0.00 C ATOM 314 C GLY A 23 -1.105 -5.044 10.669 1.00 0.00 C ATOM 315 O GLY A 23 -2.007 -5.402 11.425 1.00 0.00 O ATOM 0 H GLY A 23 0.654 -3.621 9.131 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.672 -4.172 11.525 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.765 -3.187 11.711 1.00 0.00 H new ATOM 319 N ILE A 24 -0.807 -5.639 9.523 1.00 0.00 N ATOM 320 CA ILE A 24 -1.554 -6.798 9.064 1.00 0.00 C ATOM 321 C ILE A 24 -0.642 -8.026 9.081 1.00 0.00 C ATOM 322 O ILE A 24 0.470 -7.971 9.605 1.00 0.00 O ATOM 323 CB ILE A 24 -2.189 -6.521 7.700 1.00 0.00 C ATOM 324 CG1 ILE A 24 -1.443 -5.406 6.964 1.00 0.00 C ATOM 325 CG2 ILE A 24 -3.681 -6.217 7.841 1.00 0.00 C ATOM 326 CD1 ILE A 24 -1.990 -5.223 5.547 1.00 0.00 C ATOM 0 H ILE A 24 -0.058 -5.340 8.898 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.384 -7.008 9.738 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.101 -7.422 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.539 -4.472 7.518 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.380 -5.643 6.920 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.108 -6.024 6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.185 -7.071 8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.815 -5.339 8.473 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.443 -4.425 5.046 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.870 -6.151 4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.047 -4.963 5.596 1.00 0.00 H new ATOM 338 N GLU A 25 -1.145 -9.105 8.501 1.00 0.00 N ATOM 339 CA GLU A 25 -0.389 -10.345 8.442 1.00 0.00 C ATOM 340 C GLU A 25 -0.688 -11.087 7.138 1.00 0.00 C ATOM 341 O GLU A 25 0.226 -11.578 6.476 1.00 0.00 O ATOM 342 CB GLU A 25 -0.688 -11.227 9.656 1.00 0.00 C ATOM 343 CG GLU A 25 0.492 -12.150 9.967 1.00 0.00 C ATOM 344 CD GLU A 25 0.982 -11.947 11.402 1.00 0.00 C ATOM 345 OE1 GLU A 25 0.109 -11.785 12.283 1.00 0.00 O ATOM 346 OE2 GLU A 25 2.218 -11.958 11.587 1.00 0.00 O ATOM 0 H GLU A 25 -2.067 -9.147 8.067 1.00 0.00 H new ATOM 0 HA GLU A 25 0.673 -10.102 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.902 -10.600 10.522 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.580 -11.823 9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.194 -13.189 9.824 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.306 -11.953 9.269 1.00 0.00 H new ATOM 353 N VAL A 26 -1.969 -11.146 6.807 1.00 0.00 N ATOM 354 CA VAL A 26 -2.399 -11.820 5.594 1.00 0.00 C ATOM 355 C VAL A 26 -3.433 -10.953 4.873 1.00 0.00 C ATOM 356 O VAL A 26 -4.619 -10.995 5.198 1.00 0.00 O ATOM 357 CB VAL A 26 -2.921 -13.218 5.929 1.00 0.00 C ATOM 358 CG1 VAL A 26 -3.146 -14.039 4.657 1.00 0.00 C ATOM 359 CG2 VAL A 26 -1.973 -13.942 6.887 1.00 0.00 C ATOM 0 H VAL A 26 -2.724 -10.738 7.358 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.558 -11.956 4.914 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.883 -13.105 6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.517 -15.029 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.877 -13.536 4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.205 -14.138 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.367 -14.934 7.109 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.991 -14.037 6.424 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.884 -13.371 7.812 1.00 0.00 H new ATOM 369 N GLU A 27 -2.947 -10.187 3.907 1.00 0.00 N ATOM 370 CA GLU A 27 -3.814 -9.311 3.138 1.00 0.00 C ATOM 371 C GLU A 27 -3.648 -9.581 1.641 1.00 0.00 C ATOM 372 O GLU A 27 -2.642 -10.148 1.217 1.00 0.00 O ATOM 373 CB GLU A 27 -3.540 -7.842 3.464 1.00 0.00 C ATOM 374 CG GLU A 27 -4.846 -7.063 3.625 1.00 0.00 C ATOM 375 CD GLU A 27 -5.609 -7.522 4.870 1.00 0.00 C ATOM 376 OE1 GLU A 27 -5.202 -8.561 5.433 1.00 0.00 O ATOM 377 OE2 GLU A 27 -6.581 -6.824 5.230 1.00 0.00 O ATOM 0 H GLU A 27 -1.963 -10.155 3.639 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.847 -9.522 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.956 -7.772 4.381 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.942 -7.395 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.631 -5.997 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.468 -7.203 2.741 1.00 0.00 H new ATOM 384 N THR A 28 -4.649 -9.162 0.881 1.00 0.00 N ATOM 385 CA THR A 28 -4.626 -9.351 -0.559 1.00 0.00 C ATOM 386 C THR A 28 -3.525 -8.497 -1.191 1.00 0.00 C ATOM 387 O THR A 28 -2.644 -7.997 -0.494 1.00 0.00 O ATOM 388 CB THR A 28 -6.023 -9.038 -1.099 1.00 0.00 C ATOM 389 OG1 THR A 28 -6.208 -7.656 -0.806 1.00 0.00 O ATOM 390 CG2 THR A 28 -7.128 -9.738 -0.305 1.00 0.00 C ATOM 0 H THR A 28 -5.482 -8.692 1.236 1.00 0.00 H new ATOM 0 HA THR A 28 -4.384 -10.382 -0.819 1.00 0.00 H new ATOM 0 HB THR A 28 -6.082 -9.337 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.902 -7.287 -1.392 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.099 -9.482 -0.729 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.983 -10.817 -0.354 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.090 -9.414 0.735 1.00 0.00 H new ATOM 398 N ARG A 29 -3.612 -8.356 -2.506 1.00 0.00 N ATOM 399 CA ARG A 29 -2.634 -7.571 -3.240 1.00 0.00 C ATOM 400 C ARG A 29 -2.991 -6.085 -3.178 1.00 0.00 C ATOM 401 O ARG A 29 -2.129 -5.245 -2.925 1.00 0.00 O ATOM 402 CB ARG A 29 -2.562 -8.011 -4.704 1.00 0.00 C ATOM 403 CG ARG A 29 -1.129 -7.925 -5.233 1.00 0.00 C ATOM 404 CD ARG A 29 -1.057 -8.365 -6.696 1.00 0.00 C ATOM 405 NE ARG A 29 -0.668 -9.791 -6.778 1.00 0.00 N ATOM 406 CZ ARG A 29 -0.272 -10.398 -7.905 1.00 0.00 C ATOM 407 NH1 ARG A 29 -0.211 -9.708 -9.052 1.00 0.00 N ATOM 408 NH2 ARG A 29 0.062 -11.696 -7.885 1.00 0.00 N ATOM 0 H ARG A 29 -4.344 -8.772 -3.082 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.662 -7.734 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.927 -9.034 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.215 -7.382 -5.309 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.764 -6.902 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.476 -8.554 -4.628 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.023 -8.215 -7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.334 -7.751 -7.234 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.704 -10.346 -5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.466 -8.721 -9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.090 -10.170 -9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.015 -12.221 -7.012 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.363 -12.158 -8.743 1.00 0.00 H new ATOM 422 N PRO A 30 -4.298 -5.797 -3.421 1.00 0.00 N ATOM 423 CA PRO A 30 -4.780 -4.427 -3.395 1.00 0.00 C ATOM 424 C PRO A 30 -4.898 -3.914 -1.958 1.00 0.00 C ATOM 425 O PRO A 30 -4.327 -2.880 -1.616 1.00 0.00 O ATOM 426 CB PRO A 30 -6.114 -4.465 -4.123 1.00 0.00 C ATOM 427 CG PRO A 30 -6.548 -5.922 -4.121 1.00 0.00 C ATOM 428 CD PRO A 30 -5.348 -6.766 -3.725 1.00 0.00 C ATOM 0 HA PRO A 30 -4.096 -3.732 -3.881 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.851 -3.837 -3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.014 -4.088 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.369 -6.074 -3.421 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.911 -6.213 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.572 -7.392 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.049 -7.433 -4.533 1.00 0.00 H new ATOM 436 N ARG A 31 -5.643 -4.661 -1.156 1.00 0.00 N ATOM 437 CA ARG A 31 -5.843 -4.295 0.235 1.00 0.00 C ATOM 438 C ARG A 31 -4.567 -3.678 0.811 1.00 0.00 C ATOM 439 O ARG A 31 -4.629 -2.724 1.585 1.00 0.00 O ATOM 440 CB ARG A 31 -6.235 -5.513 1.074 1.00 0.00 C ATOM 441 CG ARG A 31 -7.589 -6.072 0.631 1.00 0.00 C ATOM 442 CD ARG A 31 -8.730 -5.449 1.437 1.00 0.00 C ATOM 443 NE ARG A 31 -9.683 -6.499 1.861 1.00 0.00 N ATOM 444 CZ ARG A 31 -10.928 -6.255 2.291 1.00 0.00 C ATOM 445 NH1 ARG A 31 -11.379 -4.994 2.358 1.00 0.00 N ATOM 446 NH2 ARG A 31 -11.722 -7.270 2.656 1.00 0.00 N ATOM 0 H ARG A 31 -6.115 -5.518 -1.444 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.652 -3.566 0.272 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.471 -6.285 0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.279 -5.235 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.738 -5.874 -0.430 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.598 -7.155 0.758 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.330 -4.935 2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.245 -4.701 0.835 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.372 -7.470 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.774 -4.221 2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.327 -4.808 2.685 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.379 -8.229 2.607 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.670 -7.084 2.983 1.00 0.00 H new ATOM 460 N ILE A 32 -3.439 -4.247 0.410 1.00 0.00 N ATOM 461 CA ILE A 32 -2.150 -3.765 0.876 1.00 0.00 C ATOM 462 C ILE A 32 -1.852 -2.411 0.227 1.00 0.00 C ATOM 463 O ILE A 32 -1.724 -1.403 0.919 1.00 0.00 O ATOM 464 CB ILE A 32 -1.065 -4.816 0.632 1.00 0.00 C ATOM 465 CG1 ILE A 32 -1.447 -6.155 1.265 1.00 0.00 C ATOM 466 CG2 ILE A 32 0.298 -4.319 1.119 1.00 0.00 C ATOM 467 CD1 ILE A 32 -0.488 -7.263 0.825 1.00 0.00 C ATOM 0 H ILE A 32 -3.391 -5.038 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.170 -3.605 1.954 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.983 -4.980 -0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.431 -6.066 2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.466 -6.418 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.052 -5.084 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.566 -3.409 0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.248 -4.109 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.782 -8.204 1.289 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.524 -7.366 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.527 -7.009 1.131 1.00 0.00 H new ATOM 479 N ILE A 33 -1.752 -2.433 -1.094 1.00 0.00 N ATOM 480 CA ILE A 33 -1.471 -1.220 -1.843 1.00 0.00 C ATOM 481 C ILE A 33 -2.269 -0.060 -1.244 1.00 0.00 C ATOM 482 O ILE A 33 -1.735 1.032 -1.055 1.00 0.00 O ATOM 483 CB ILE A 33 -1.732 -1.440 -3.334 1.00 0.00 C ATOM 484 CG1 ILE A 33 -0.761 -2.471 -3.915 1.00 0.00 C ATOM 485 CG2 ILE A 33 -1.687 -0.116 -4.100 1.00 0.00 C ATOM 486 CD1 ILE A 33 -1.372 -3.178 -5.126 1.00 0.00 C ATOM 0 H ILE A 33 -1.861 -3.271 -1.665 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.416 -0.957 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.738 -1.844 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.166 -1.978 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.505 -3.206 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.876 -0.301 -5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.449 0.557 -3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.704 0.340 -3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.662 -3.905 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.286 -3.690 -4.825 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.604 -2.444 -5.897 1.00 0.00 H new ATOM 498 N ALA A 34 -3.533 -0.337 -0.961 1.00 0.00 N ATOM 499 CA ALA A 34 -4.409 0.671 -0.387 1.00 0.00 C ATOM 500 C ALA A 34 -3.960 0.975 1.044 1.00 0.00 C ATOM 501 O ALA A 34 -3.815 2.138 1.418 1.00 0.00 O ATOM 502 CB ALA A 34 -5.858 0.184 -0.452 1.00 0.00 C ATOM 0 H ALA A 34 -3.972 -1.244 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.351 1.599 -0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.515 0.939 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.137 0.010 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.955 -0.745 0.111 1.00 0.00 H new ATOM 508 N ALA A 35 -3.753 -0.089 1.804 1.00 0.00 N ATOM 509 CA ALA A 35 -3.323 0.050 3.185 1.00 0.00 C ATOM 510 C ALA A 35 -2.170 1.053 3.258 1.00 0.00 C ATOM 511 O ALA A 35 -1.992 1.728 4.270 1.00 0.00 O ATOM 512 CB ALA A 35 -2.938 -1.323 3.741 1.00 0.00 C ATOM 0 H ALA A 35 -3.875 -1.052 1.490 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.134 0.436 3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.615 -1.219 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.800 -1.989 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.124 -1.741 3.148 1.00 0.00 H new ATOM 518 N ILE A 36 -1.415 1.118 2.170 1.00 0.00 N ATOM 519 CA ILE A 36 -0.284 2.027 2.098 1.00 0.00 C ATOM 520 C ILE A 36 -0.774 3.411 1.666 1.00 0.00 C ATOM 521 O ILE A 36 -0.258 4.428 2.127 1.00 0.00 O ATOM 522 CB ILE A 36 0.808 1.452 1.194 1.00 0.00 C ATOM 523 CG1 ILE A 36 1.385 0.163 1.783 1.00 0.00 C ATOM 524 CG2 ILE A 36 1.895 2.492 0.918 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.236 -0.579 0.751 1.00 0.00 C ATOM 0 H ILE A 36 -1.565 0.556 1.332 1.00 0.00 H new ATOM 0 HA ILE A 36 0.175 2.143 3.080 1.00 0.00 H new ATOM 0 HB ILE A 36 0.357 1.195 0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.991 0.398 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.574 -0.481 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.659 2.058 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.453 3.358 0.425 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.349 2.803 1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.634 -1.491 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.621 -0.834 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.061 0.059 0.433 1.00 0.00 H new ATOM 537 N TRP A 37 -1.765 3.404 0.786 1.00 0.00 N ATOM 538 CA TRP A 37 -2.330 4.646 0.287 1.00 0.00 C ATOM 539 C TRP A 37 -2.899 5.420 1.478 1.00 0.00 C ATOM 540 O TRP A 37 -2.704 6.629 1.587 1.00 0.00 O ATOM 541 CB TRP A 37 -3.371 4.376 -0.802 1.00 0.00 C ATOM 542 CG TRP A 37 -2.784 3.811 -2.097 1.00 0.00 C ATOM 543 CD1 TRP A 37 -1.574 3.268 -2.287 1.00 0.00 C ATOM 544 CD2 TRP A 37 -3.437 3.753 -3.383 1.00 0.00 C ATOM 545 NE1 TRP A 37 -1.398 2.867 -3.595 1.00 0.00 N ATOM 546 CE2 TRP A 37 -2.567 3.171 -4.283 1.00 0.00 C ATOM 547 CE3 TRP A 37 -4.719 4.179 -3.773 1.00 0.00 C ATOM 548 CZ2 TRP A 37 -2.886 2.962 -5.630 1.00 0.00 C ATOM 549 CZ3 TRP A 37 -5.021 3.962 -5.122 1.00 0.00 C ATOM 550 CH2 TRP A 37 -4.158 3.378 -6.041 1.00 0.00 C ATOM 0 H TRP A 37 -2.191 2.558 0.406 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.561 5.255 -0.189 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -4.113 3.677 -0.416 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.895 5.305 -1.028 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.829 3.158 -1.513 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.564 2.428 -3.985 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.415 4.637 -3.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.188 2.504 -6.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.994 4.270 -5.474 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.467 3.246 -7.067 1.00 0.00 H new ATOM 561 N HIS A 38 -3.589 4.690 2.342 1.00 0.00 N ATOM 562 CA HIS A 38 -4.187 5.292 3.521 1.00 0.00 C ATOM 563 C HIS A 38 -3.085 5.729 4.489 1.00 0.00 C ATOM 564 O HIS A 38 -2.989 6.905 4.836 1.00 0.00 O ATOM 565 CB HIS A 38 -5.198 4.340 4.164 1.00 0.00 C ATOM 566 CG HIS A 38 -5.689 4.790 5.519 1.00 0.00 C ATOM 567 ND1 HIS A 38 -7.012 5.110 5.770 1.00 0.00 N ATOM 568 CD2 HIS A 38 -5.020 4.969 6.695 1.00 0.00 C ATOM 569 CE1 HIS A 38 -7.123 5.465 7.041 1.00 0.00 C ATOM 570 NE2 HIS A 38 -5.888 5.377 7.613 1.00 0.00 N ATOM 0 H HIS A 38 -3.747 3.687 2.249 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.746 6.183 3.235 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.053 4.230 3.497 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.742 3.355 4.263 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -3.964 4.806 6.852 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.032 5.771 7.538 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -5.668 5.590 8.586 1.00 0.00 H new ATOM 578 N TYR A 39 -2.282 4.758 4.897 1.00 0.00 N ATOM 579 CA TYR A 39 -1.190 5.027 5.818 1.00 0.00 C ATOM 580 C TYR A 39 -0.507 6.355 5.485 1.00 0.00 C ATOM 581 O TYR A 39 -0.297 7.187 6.366 1.00 0.00 O ATOM 582 CB TYR A 39 -0.186 3.888 5.627 1.00 0.00 C ATOM 583 CG TYR A 39 1.071 4.016 6.489 1.00 0.00 C ATOM 584 CD1 TYR A 39 0.998 3.803 7.851 1.00 0.00 C ATOM 585 CD2 TYR A 39 2.278 4.343 5.905 1.00 0.00 C ATOM 586 CE1 TYR A 39 2.181 3.923 8.662 1.00 0.00 C ATOM 587 CE2 TYR A 39 3.461 4.463 6.717 1.00 0.00 C ATOM 588 CZ TYR A 39 3.354 4.247 8.056 1.00 0.00 C ATOM 589 OH TYR A 39 4.472 4.360 8.822 1.00 0.00 O ATOM 0 H TYR A 39 -2.365 3.784 4.607 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.558 5.091 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.677 2.942 5.857 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.108 3.848 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.054 3.546 8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.335 4.509 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.138 3.759 9.729 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.412 4.719 6.273 1.00 0.00 H new ATOM 0 HH TYR A 39 5.235 4.595 8.254 1.00 0.00 H new ATOM 599 N VAL A 40 -0.179 6.511 4.211 1.00 0.00 N ATOM 600 CA VAL A 40 0.477 7.724 3.751 1.00 0.00 C ATOM 601 C VAL A 40 -0.360 8.938 4.160 1.00 0.00 C ATOM 602 O VAL A 40 0.050 9.717 5.019 1.00 0.00 O ATOM 603 CB VAL A 40 0.720 7.647 2.242 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.002 9.034 1.661 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.856 6.675 1.918 1.00 0.00 C ATOM 0 H VAL A 40 -0.355 5.818 3.483 1.00 0.00 H new ATOM 0 HA VAL A 40 1.455 7.830 4.220 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.189 7.267 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.171 8.951 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.148 9.686 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.888 9.454 2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.008 6.639 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.772 7.012 2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.598 5.680 2.281 1.00 0.00 H new ATOM 615 N LYS A 41 -1.517 9.060 3.526 1.00 0.00 N ATOM 616 CA LYS A 41 -2.415 10.166 3.814 1.00 0.00 C ATOM 617 C LYS A 41 -2.608 10.279 5.328 1.00 0.00 C ATOM 618 O LYS A 41 -2.588 11.379 5.879 1.00 0.00 O ATOM 619 CB LYS A 41 -3.723 10.009 3.037 1.00 0.00 C ATOM 620 CG LYS A 41 -3.488 10.154 1.532 1.00 0.00 C ATOM 621 CD LYS A 41 -4.254 9.084 0.752 1.00 0.00 C ATOM 622 CE LYS A 41 -5.663 9.565 0.401 1.00 0.00 C ATOM 623 NZ LYS A 41 -6.644 9.060 1.389 1.00 0.00 N ATOM 0 H LYS A 41 -1.853 8.412 2.814 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.982 11.108 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.160 9.033 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.440 10.759 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.805 11.144 1.205 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.422 10.073 1.317 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.712 8.837 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.315 8.171 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.687 10.655 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.933 9.221 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.595 9.396 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.632 8.020 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.394 9.409 2.336 1.00 0.00 H new ATOM 637 N ALA A 42 -2.791 9.128 5.957 1.00 0.00 N ATOM 638 CA ALA A 42 -2.988 9.084 7.396 1.00 0.00 C ATOM 639 C ALA A 42 -1.786 9.727 8.090 1.00 0.00 C ATOM 640 O ALA A 42 -1.941 10.412 9.100 1.00 0.00 O ATOM 641 CB ALA A 42 -3.210 7.636 7.837 1.00 0.00 C ATOM 0 H ALA A 42 -2.807 8.218 5.496 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.875 9.651 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.358 7.603 8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.092 7.235 7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.339 7.037 7.572 1.00 0.00 H new ATOM 647 N ARG A 43 -0.614 9.483 7.522 1.00 0.00 N ATOM 648 CA ARG A 43 0.614 10.030 8.074 1.00 0.00 C ATOM 649 C ARG A 43 0.972 11.343 7.374 1.00 0.00 C ATOM 650 O ARG A 43 2.107 11.808 7.463 1.00 0.00 O ATOM 651 CB ARG A 43 1.774 9.045 7.919 1.00 0.00 C ATOM 652 CG ARG A 43 1.432 7.692 8.546 1.00 0.00 C ATOM 653 CD ARG A 43 2.061 7.556 9.934 1.00 0.00 C ATOM 654 NE ARG A 43 1.511 8.588 10.842 1.00 0.00 N ATOM 655 CZ ARG A 43 2.140 9.039 11.936 1.00 0.00 C ATOM 656 NH1 ARG A 43 3.344 8.551 12.265 1.00 0.00 N ATOM 657 NH2 ARG A 43 1.565 9.976 12.701 1.00 0.00 N ATOM 0 H ARG A 43 -0.489 8.914 6.685 1.00 0.00 H new ATOM 0 HA ARG A 43 0.447 10.214 9.135 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.004 8.912 6.862 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.668 9.453 8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.350 7.585 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.788 6.888 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.863 6.563 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.144 7.661 9.864 1.00 0.00 H new ATOM 0 HE ARG A 43 0.596 8.980 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.781 7.837 11.683 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.823 8.894 13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.648 10.346 12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.044 10.319 13.534 1.00 0.00 H new ATOM 671 N LYS A 44 -0.018 11.903 6.695 1.00 0.00 N ATOM 672 CA LYS A 44 0.178 13.153 5.981 1.00 0.00 C ATOM 673 C LYS A 44 1.494 13.090 5.202 1.00 0.00 C ATOM 674 O LYS A 44 2.158 14.108 5.014 1.00 0.00 O ATOM 675 CB LYS A 44 0.090 14.340 6.943 1.00 0.00 C ATOM 676 CG LYS A 44 -1.323 14.480 7.513 1.00 0.00 C ATOM 677 CD LYS A 44 -1.357 14.096 8.994 1.00 0.00 C ATOM 678 CE LYS A 44 -2.457 14.862 9.733 1.00 0.00 C ATOM 679 NZ LYS A 44 -1.887 16.023 10.452 1.00 0.00 N ATOM 0 H LYS A 44 -0.958 11.514 6.624 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.618 13.303 5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.803 14.207 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.368 15.256 6.422 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.668 15.507 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.010 13.845 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.527 13.024 9.092 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.391 14.309 9.451 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.212 15.201 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.958 14.200 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.647 16.531 10.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.184 15.692 11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.430 16.662 9.771 1.00 0.00 H new ATOM 693 N LEU A 45 1.831 11.883 4.770 1.00 0.00 N ATOM 694 CA LEU A 45 3.055 11.673 4.016 1.00 0.00 C ATOM 695 C LEU A 45 2.848 12.143 2.575 1.00 0.00 C ATOM 696 O LEU A 45 3.800 12.537 1.903 1.00 0.00 O ATOM 697 CB LEU A 45 3.511 10.217 4.129 1.00 0.00 C ATOM 698 CG LEU A 45 4.268 9.849 5.407 1.00 0.00 C ATOM 699 CD1 LEU A 45 4.414 8.332 5.539 1.00 0.00 C ATOM 700 CD2 LEU A 45 5.621 10.562 5.467 1.00 0.00 C ATOM 0 H LEU A 45 1.278 11.041 4.928 1.00 0.00 H new ATOM 0 HA LEU A 45 3.866 12.270 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.633 9.575 4.052 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.148 9.989 3.274 1.00 0.00 H new ATOM 0 HG LEU A 45 3.685 10.192 6.261 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.955 8.097 6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.426 7.873 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.965 7.944 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.139 10.283 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.224 10.271 4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.465 11.641 5.452 1.00 0.00 H new ATOM 712 N GLN A 46 1.597 12.085 2.141 1.00 0.00 N ATOM 713 CA GLN A 46 1.253 12.499 0.792 1.00 0.00 C ATOM 714 C GLN A 46 2.067 13.731 0.391 1.00 0.00 C ATOM 715 O GLN A 46 2.380 14.573 1.231 1.00 0.00 O ATOM 716 CB GLN A 46 -0.248 12.769 0.667 1.00 0.00 C ATOM 717 CG GLN A 46 -0.597 13.294 -0.727 1.00 0.00 C ATOM 718 CD GLN A 46 -2.110 13.452 -0.890 1.00 0.00 C ATOM 719 OE1 GLN A 46 -2.851 13.612 0.066 1.00 0.00 O ATOM 720 NE2 GLN A 46 -2.526 13.398 -2.152 1.00 0.00 N ATOM 0 H GLN A 46 0.810 11.757 2.700 1.00 0.00 H new ATOM 0 HA GLN A 46 1.500 11.686 0.109 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -0.804 11.852 0.864 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.554 13.495 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.108 14.254 -0.891 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.216 12.608 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.852 13.262 -2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.519 13.493 -2.366 1.00 0.00 H new ATOM 729 N ASN A 47 2.385 13.798 -0.893 1.00 0.00 N ATOM 730 CA ASN A 47 3.157 14.913 -1.416 1.00 0.00 C ATOM 731 C ASN A 47 2.202 15.977 -1.962 1.00 0.00 C ATOM 732 O ASN A 47 1.252 15.657 -2.675 1.00 0.00 O ATOM 733 CB ASN A 47 4.068 14.464 -2.560 1.00 0.00 C ATOM 734 CG ASN A 47 5.542 14.648 -2.192 1.00 0.00 C ATOM 735 OD1 ASN A 47 6.033 14.120 -1.208 1.00 0.00 O ATOM 736 ND2 ASN A 47 6.217 15.424 -3.035 1.00 0.00 N ATOM 0 H ASN A 47 2.122 13.098 -1.587 1.00 0.00 H new ATOM 0 HA ASN A 47 3.767 15.311 -0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.876 13.417 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.839 15.038 -3.458 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.208 15.608 -2.877 1.00 0.00 H new ATOM 0 HD22 ASN A 47 5.744 15.835 -3.840 1.00 0.00 H new ATOM 743 N PRO A 48 2.495 17.253 -1.596 1.00 0.00 N ATOM 744 CA PRO A 48 1.673 18.366 -2.041 1.00 0.00 C ATOM 745 C PRO A 48 1.939 18.690 -3.512 1.00 0.00 C ATOM 746 O PRO A 48 1.029 19.085 -4.239 1.00 0.00 O ATOM 747 CB PRO A 48 2.026 19.513 -1.107 1.00 0.00 C ATOM 748 CG PRO A 48 3.359 19.143 -0.477 1.00 0.00 C ATOM 749 CD PRO A 48 3.611 17.670 -0.752 1.00 0.00 C ATOM 0 HA PRO A 48 0.606 18.146 -1.996 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.100 20.453 -1.654 1.00 0.00 H new ATOM 0 HB3 PRO A 48 1.258 19.647 -0.345 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.161 19.752 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.340 19.333 0.596 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.566 17.519 -1.255 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.644 17.095 0.173 1.00 0.00 H new ATOM 757 N ASN A 49 3.191 18.511 -3.908 1.00 0.00 N ATOM 758 CA ASN A 49 3.588 18.779 -5.280 1.00 0.00 C ATOM 759 C ASN A 49 3.060 17.665 -6.186 1.00 0.00 C ATOM 760 O ASN A 49 2.343 17.931 -7.149 1.00 0.00 O ATOM 761 CB ASN A 49 5.112 18.816 -5.415 1.00 0.00 C ATOM 762 CG ASN A 49 5.665 20.181 -5.002 1.00 0.00 C ATOM 763 OD1 ASN A 49 5.159 21.225 -5.380 1.00 0.00 O ATOM 764 ND2 ASN A 49 6.731 20.116 -4.209 1.00 0.00 N ATOM 0 H ASN A 49 3.944 18.184 -3.303 1.00 0.00 H new ATOM 0 HA ASN A 49 3.177 19.747 -5.567 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.555 18.037 -4.794 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.395 18.602 -6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.175 20.973 -3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.104 19.209 -3.930 1.00 0.00 H new ATOM 771 N ASP A 50 3.436 16.441 -5.845 1.00 0.00 N ATOM 772 CA ASP A 50 3.009 15.285 -6.616 1.00 0.00 C ATOM 773 C ASP A 50 2.032 14.454 -5.782 1.00 0.00 C ATOM 774 O ASP A 50 2.395 13.935 -4.728 1.00 0.00 O ATOM 775 CB ASP A 50 4.199 14.394 -6.977 1.00 0.00 C ATOM 776 CG ASP A 50 5.202 15.017 -7.950 1.00 0.00 C ATOM 777 OD1 ASP A 50 5.174 16.261 -8.074 1.00 0.00 O ATOM 778 OD2 ASP A 50 5.973 14.236 -8.548 1.00 0.00 O ATOM 0 H ASP A 50 4.031 16.224 -5.046 1.00 0.00 H new ATOM 0 HA ASP A 50 2.537 15.645 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.724 14.126 -6.060 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.822 13.468 -7.411 1.00 0.00 H new ATOM 783 N PRO A 51 0.778 14.350 -6.300 1.00 0.00 N ATOM 784 CA PRO A 51 -0.254 13.591 -5.615 1.00 0.00 C ATOM 785 C PRO A 51 -0.026 12.086 -5.776 1.00 0.00 C ATOM 786 O PRO A 51 -0.571 11.287 -5.016 1.00 0.00 O ATOM 787 CB PRO A 51 -1.562 14.062 -6.229 1.00 0.00 C ATOM 788 CG PRO A 51 -1.190 14.720 -7.547 1.00 0.00 C ATOM 789 CD PRO A 51 0.312 14.951 -7.546 1.00 0.00 C ATOM 0 HA PRO A 51 -0.253 13.757 -4.538 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.242 13.225 -6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.071 14.766 -5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.478 14.085 -8.385 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.721 15.664 -7.665 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.785 14.486 -8.411 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.549 16.014 -7.586 1.00 0.00 H new ATOM 797 N SER A 52 0.781 11.746 -6.770 1.00 0.00 N ATOM 798 CA SER A 52 1.088 10.351 -7.041 1.00 0.00 C ATOM 799 C SER A 52 2.209 9.873 -6.115 1.00 0.00 C ATOM 800 O SER A 52 2.283 8.691 -5.784 1.00 0.00 O ATOM 801 CB SER A 52 1.485 10.149 -8.504 1.00 0.00 C ATOM 802 OG SER A 52 2.427 11.124 -8.942 1.00 0.00 O ATOM 0 H SER A 52 1.232 12.412 -7.398 1.00 0.00 H new ATOM 0 HA SER A 52 0.192 9.760 -6.851 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.909 9.153 -8.630 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.595 10.198 -9.131 1.00 0.00 H new ATOM 0 HG SER A 52 2.535 11.061 -9.914 1.00 0.00 H new ATOM 808 N PHE A 53 3.053 10.817 -5.724 1.00 0.00 N ATOM 809 CA PHE A 53 4.166 10.507 -4.844 1.00 0.00 C ATOM 810 C PHE A 53 3.850 10.901 -3.400 1.00 0.00 C ATOM 811 O PHE A 53 2.823 11.524 -3.134 1.00 0.00 O ATOM 812 CB PHE A 53 5.364 11.324 -5.332 1.00 0.00 C ATOM 813 CG PHE A 53 6.376 10.518 -6.149 1.00 0.00 C ATOM 814 CD1 PHE A 53 7.101 9.534 -5.554 1.00 0.00 C ATOM 815 CD2 PHE A 53 6.549 10.785 -7.472 1.00 0.00 C ATOM 816 CE1 PHE A 53 8.040 8.786 -6.312 1.00 0.00 C ATOM 817 CE2 PHE A 53 7.488 10.037 -8.230 1.00 0.00 C ATOM 818 CZ PHE A 53 8.214 9.053 -7.634 1.00 0.00 C ATOM 0 H PHE A 53 2.988 11.797 -6.001 1.00 0.00 H new ATOM 0 HA PHE A 53 4.368 9.436 -4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.002 12.154 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.871 11.757 -4.470 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.963 9.321 -4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.972 11.566 -7.945 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.616 8.005 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.626 10.249 -9.280 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.928 8.484 -8.211 1.00 0.00 H new ATOM 828 N PHE A 54 4.751 10.522 -2.506 1.00 0.00 N ATOM 829 CA PHE A 54 4.580 10.828 -1.095 1.00 0.00 C ATOM 830 C PHE A 54 5.904 10.690 -0.341 1.00 0.00 C ATOM 831 O PHE A 54 6.753 9.882 -0.712 1.00 0.00 O ATOM 832 CB PHE A 54 3.579 9.815 -0.535 1.00 0.00 C ATOM 833 CG PHE A 54 3.937 8.358 -0.832 1.00 0.00 C ATOM 834 CD1 PHE A 54 5.027 7.792 -0.246 1.00 0.00 C ATOM 835 CD2 PHE A 54 3.166 7.627 -1.681 1.00 0.00 C ATOM 836 CE1 PHE A 54 5.359 6.439 -0.521 1.00 0.00 C ATOM 837 CE2 PHE A 54 3.498 6.274 -1.956 1.00 0.00 C ATOM 838 CZ PHE A 54 4.588 5.709 -1.371 1.00 0.00 C ATOM 0 H PHE A 54 5.602 10.006 -2.731 1.00 0.00 H new ATOM 0 HA PHE A 54 4.230 11.853 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.508 9.948 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.593 10.028 -0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.640 8.372 0.428 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.301 8.076 -2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.224 5.990 -0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.885 5.694 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.841 4.680 -1.581 1.00 0.00 H new ATOM 848 N ASN A 55 6.038 11.492 0.706 1.00 0.00 N ATOM 849 CA ASN A 55 7.244 11.469 1.516 1.00 0.00 C ATOM 850 C ASN A 55 7.279 10.177 2.335 1.00 0.00 C ATOM 851 O ASN A 55 6.234 9.647 2.709 1.00 0.00 O ATOM 852 CB ASN A 55 7.275 12.648 2.491 1.00 0.00 C ATOM 853 CG ASN A 55 7.921 13.876 1.846 1.00 0.00 C ATOM 854 OD1 ASN A 55 9.132 14.011 1.785 1.00 0.00 O ATOM 855 ND2 ASN A 55 7.049 14.760 1.371 1.00 0.00 N ATOM 0 H ASN A 55 5.331 12.161 1.011 1.00 0.00 H new ATOM 0 HA ASN A 55 8.101 11.532 0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.260 12.890 2.807 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.830 12.369 3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.381 15.614 0.922 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.048 14.585 1.455 1.00 0.00 H new ATOM 862 N CYS A 56 8.491 9.709 2.591 1.00 0.00 N ATOM 863 CA CYS A 56 8.676 8.489 3.359 1.00 0.00 C ATOM 864 C CYS A 56 8.820 8.868 4.834 1.00 0.00 C ATOM 865 O CYS A 56 9.496 9.841 5.166 1.00 0.00 O ATOM 866 CB CYS A 56 9.874 7.681 2.858 1.00 0.00 C ATOM 867 SG CYS A 56 11.433 8.468 3.404 1.00 0.00 S ATOM 0 H CYS A 56 9.355 10.152 2.280 1.00 0.00 H new ATOM 0 HA CYS A 56 7.808 7.842 3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 56 9.820 6.661 3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 56 9.851 7.617 1.770 1.00 0.00 H new ATOM 0 HG CYS A 56 11.171 9.376 4.297 1.00 0.00 H new ATOM 873 N ASP A 57 8.174 8.079 5.681 1.00 0.00 N ATOM 874 CA ASP A 57 8.222 8.320 7.113 1.00 0.00 C ATOM 875 C ASP A 57 9.521 7.742 7.679 1.00 0.00 C ATOM 876 O ASP A 57 10.408 8.488 8.092 1.00 0.00 O ATOM 877 CB ASP A 57 7.052 7.639 7.825 1.00 0.00 C ATOM 878 CG ASP A 57 5.984 8.590 8.369 1.00 0.00 C ATOM 879 OD1 ASP A 57 5.982 9.757 7.921 1.00 0.00 O ATOM 880 OD2 ASP A 57 5.194 8.128 9.221 1.00 0.00 O ATOM 0 H ASP A 57 7.615 7.273 5.403 1.00 0.00 H new ATOM 0 HA ASP A 57 8.167 9.396 7.277 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.579 6.944 7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 57 7.444 7.047 8.651 1.00 0.00 H new ATOM 885 N ALA A 58 9.592 6.419 7.681 1.00 0.00 N ATOM 886 CA ALA A 58 10.767 5.734 8.190 1.00 0.00 C ATOM 887 C ALA A 58 10.569 4.222 8.055 1.00 0.00 C ATOM 888 O ALA A 58 11.518 3.491 7.778 1.00 0.00 O ATOM 889 CB ALA A 58 11.022 6.162 9.637 1.00 0.00 C ATOM 0 H ALA A 58 8.854 5.803 7.338 1.00 0.00 H new ATOM 0 HA ALA A 58 11.650 6.004 7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.904 5.648 10.019 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.186 7.239 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.158 5.905 10.250 1.00 0.00 H new ATOM 895 N ALA A 59 9.330 3.800 8.258 1.00 0.00 N ATOM 896 CA ALA A 59 8.995 2.389 8.163 1.00 0.00 C ATOM 897 C ALA A 59 8.759 2.024 6.696 1.00 0.00 C ATOM 898 O ALA A 59 8.900 0.864 6.311 1.00 0.00 O ATOM 899 CB ALA A 59 7.778 2.093 9.041 1.00 0.00 C ATOM 0 H ALA A 59 8.546 4.410 8.488 1.00 0.00 H new ATOM 0 HA ALA A 59 9.817 1.773 8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.527 1.035 8.970 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.007 2.343 10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.931 2.690 8.703 1.00 0.00 H new ATOM 905 N LEU A 60 8.403 3.035 5.917 1.00 0.00 N ATOM 906 CA LEU A 60 8.146 2.834 4.501 1.00 0.00 C ATOM 907 C LEU A 60 9.471 2.594 3.776 1.00 0.00 C ATOM 908 O LEU A 60 9.504 1.932 2.739 1.00 0.00 O ATOM 909 CB LEU A 60 7.337 4.002 3.933 1.00 0.00 C ATOM 910 CG LEU A 60 5.815 3.877 4.037 1.00 0.00 C ATOM 911 CD1 LEU A 60 5.136 5.224 3.782 1.00 0.00 C ATOM 912 CD2 LEU A 60 5.290 2.784 3.105 1.00 0.00 C ATOM 0 H LEU A 60 8.286 3.996 6.240 1.00 0.00 H new ATOM 0 HA LEU A 60 7.533 1.946 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.643 4.914 4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.601 4.124 2.882 1.00 0.00 H new ATOM 0 HG LEU A 60 5.565 3.579 5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.055 5.108 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.478 5.949 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.390 5.576 2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.206 2.716 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.551 3.028 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.738 1.828 3.376 1.00 0.00 H new ATOM 924 N GLN A 61 10.531 3.144 4.349 1.00 0.00 N ATOM 925 CA GLN A 61 11.856 2.998 3.769 1.00 0.00 C ATOM 926 C GLN A 61 12.280 1.528 3.778 1.00 0.00 C ATOM 927 O GLN A 61 12.443 0.919 2.723 1.00 0.00 O ATOM 928 CB GLN A 61 12.876 3.867 4.507 1.00 0.00 C ATOM 929 CG GLN A 61 13.234 5.108 3.687 1.00 0.00 C ATOM 930 CD GLN A 61 14.696 5.067 3.239 1.00 0.00 C ATOM 931 OE1 GLN A 61 15.462 4.193 3.611 1.00 0.00 O ATOM 932 NE2 GLN A 61 15.039 6.058 2.420 1.00 0.00 N ATOM 0 H GLN A 61 10.500 3.692 5.209 1.00 0.00 H new ATOM 0 HA GLN A 61 11.818 3.339 2.734 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.471 4.169 5.473 1.00 0.00 H new ATOM 0 HB3 GLN A 61 13.777 3.287 4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 61 12.584 5.171 2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 61 13.057 6.004 4.281 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.348 6.757 2.148 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.993 6.118 2.064 1.00 0.00 H new ATOM 941 N LYS A 62 12.445 1.000 4.983 1.00 0.00 N ATOM 942 CA LYS A 62 12.847 -0.387 5.143 1.00 0.00 C ATOM 943 C LYS A 62 12.134 -1.244 4.096 1.00 0.00 C ATOM 944 O LYS A 62 12.668 -2.258 3.650 1.00 0.00 O ATOM 945 CB LYS A 62 12.611 -0.850 6.582 1.00 0.00 C ATOM 946 CG LYS A 62 13.870 -0.667 7.431 1.00 0.00 C ATOM 947 CD LYS A 62 13.721 -1.355 8.789 1.00 0.00 C ATOM 948 CE LYS A 62 14.600 -2.604 8.870 1.00 0.00 C ATOM 949 NZ LYS A 62 14.795 -3.010 10.280 1.00 0.00 N ATOM 0 H LYS A 62 12.308 1.508 5.857 1.00 0.00 H new ATOM 0 HA LYS A 62 13.917 -0.496 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.788 -0.285 7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.315 -1.899 6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.731 -1.078 6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.063 0.396 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.994 -0.661 9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.678 -1.629 8.950 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.138 -3.418 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.566 -2.407 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.394 -3.859 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.256 -2.238 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.872 -3.218 10.712 1.00 0.00 H new ATOM 963 N VAL A 63 10.937 -0.806 3.734 1.00 0.00 N ATOM 964 CA VAL A 63 10.145 -1.521 2.748 1.00 0.00 C ATOM 965 C VAL A 63 10.701 -1.238 1.351 1.00 0.00 C ATOM 966 O VAL A 63 11.159 -2.150 0.665 1.00 0.00 O ATOM 967 CB VAL A 63 8.668 -1.145 2.890 1.00 0.00 C ATOM 968 CG1 VAL A 63 7.825 -1.812 1.802 1.00 0.00 C ATOM 969 CG2 VAL A 63 8.145 -1.499 4.284 1.00 0.00 C ATOM 0 H VAL A 63 10.496 0.035 4.106 1.00 0.00 H new ATOM 0 HA VAL A 63 10.211 -2.596 2.913 1.00 0.00 H new ATOM 0 HB VAL A 63 8.583 -0.066 2.764 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.780 -1.528 1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.175 -1.489 0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.919 -2.895 1.882 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.093 -1.222 4.359 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.251 -2.571 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.718 -0.957 5.036 1.00 0.00 H new ATOM 979 N PHE A 64 10.644 0.030 0.971 1.00 0.00 N ATOM 980 CA PHE A 64 11.137 0.445 -0.331 1.00 0.00 C ATOM 981 C PHE A 64 12.615 0.832 -0.260 1.00 0.00 C ATOM 982 O PHE A 64 13.464 0.170 -0.855 1.00 0.00 O ATOM 983 CB PHE A 64 10.320 1.669 -0.750 1.00 0.00 C ATOM 984 CG PHE A 64 8.809 1.430 -0.773 1.00 0.00 C ATOM 985 CD1 PHE A 64 8.281 0.489 -1.602 1.00 0.00 C ATOM 986 CD2 PHE A 64 7.993 2.159 0.035 1.00 0.00 C ATOM 987 CE1 PHE A 64 6.879 0.268 -1.623 1.00 0.00 C ATOM 988 CE2 PHE A 64 6.590 1.938 0.013 1.00 0.00 C ATOM 989 CZ PHE A 64 6.063 0.997 -0.816 1.00 0.00 C ATOM 0 H PHE A 64 10.263 0.784 1.543 1.00 0.00 H new ATOM 0 HA PHE A 64 11.038 -0.373 -1.044 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.537 2.490 -0.066 1.00 0.00 H new ATOM 0 HB3 PHE A 64 10.643 1.986 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.929 -0.090 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.412 2.906 0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.460 -0.480 -2.280 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.942 2.517 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 64 4.996 0.829 -0.833 1.00 0.00 H new ATOM 999 N GLY A 65 12.878 1.905 0.472 1.00 0.00 N ATOM 1000 CA GLY A 65 14.239 2.389 0.628 1.00 0.00 C ATOM 1001 C GLY A 65 14.459 3.674 -0.172 1.00 0.00 C ATOM 1002 O GLY A 65 15.581 3.973 -0.578 1.00 0.00 O ATOM 0 H GLY A 65 12.172 2.453 0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 65 14.445 2.573 1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.941 1.624 0.295 1.00 0.00 H new ATOM 1006 N GLU A 66 13.370 4.401 -0.376 1.00 0.00 N ATOM 1007 CA GLU A 66 13.430 5.647 -1.121 1.00 0.00 C ATOM 1008 C GLU A 66 12.754 6.770 -0.331 1.00 0.00 C ATOM 1009 O GLU A 66 11.753 6.542 0.347 1.00 0.00 O ATOM 1010 CB GLU A 66 12.795 5.490 -2.504 1.00 0.00 C ATOM 1011 CG GLU A 66 13.586 4.499 -3.360 1.00 0.00 C ATOM 1012 CD GLU A 66 13.967 5.119 -4.706 1.00 0.00 C ATOM 1013 OE1 GLU A 66 14.879 5.974 -4.698 1.00 0.00 O ATOM 1014 OE2 GLU A 66 13.338 4.724 -5.711 1.00 0.00 O ATOM 0 H GLU A 66 12.441 4.151 -0.038 1.00 0.00 H new ATOM 0 HA GLU A 66 14.477 5.911 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.766 5.145 -2.399 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.757 6.458 -3.003 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.487 4.192 -2.829 1.00 0.00 H new ATOM 0 HG3 GLU A 66 12.992 3.600 -3.525 1.00 0.00 H new ATOM 1021 N GLU A 67 13.327 7.959 -0.446 1.00 0.00 N ATOM 1022 CA GLU A 67 12.793 9.118 0.248 1.00 0.00 C ATOM 1023 C GLU A 67 11.288 9.237 0.000 1.00 0.00 C ATOM 1024 O GLU A 67 10.525 9.527 0.920 1.00 0.00 O ATOM 1025 CB GLU A 67 13.522 10.395 -0.175 1.00 0.00 C ATOM 1026 CG GLU A 67 15.038 10.215 -0.086 1.00 0.00 C ATOM 1027 CD GLU A 67 15.750 11.570 -0.059 1.00 0.00 C ATOM 1028 OE1 GLU A 67 15.306 12.428 0.734 1.00 0.00 O ATOM 1029 OE2 GLU A 67 16.722 11.716 -0.831 1.00 0.00 O ATOM 0 H GLU A 67 14.156 8.145 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 67 12.956 8.984 1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.242 10.657 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.212 11.223 0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 67 15.289 9.650 0.812 1.00 0.00 H new ATOM 0 HG3 GLU A 67 15.389 9.632 -0.938 1.00 0.00 H new ATOM 1036 N LYS A 68 10.906 9.008 -1.248 1.00 0.00 N ATOM 1037 CA LYS A 68 9.506 9.087 -1.628 1.00 0.00 C ATOM 1038 C LYS A 68 9.185 7.959 -2.611 1.00 0.00 C ATOM 1039 O LYS A 68 10.090 7.353 -3.183 1.00 0.00 O ATOM 1040 CB LYS A 68 9.174 10.481 -2.163 1.00 0.00 C ATOM 1041 CG LYS A 68 9.878 10.739 -3.497 1.00 0.00 C ATOM 1042 CD LYS A 68 9.077 11.714 -4.361 1.00 0.00 C ATOM 1043 CE LYS A 68 9.367 11.496 -5.847 1.00 0.00 C ATOM 1044 NZ LYS A 68 10.442 12.404 -6.305 1.00 0.00 N ATOM 0 H LYS A 68 11.542 8.768 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 68 8.866 8.944 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.096 10.578 -2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.477 11.235 -1.436 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.874 11.143 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.009 9.798 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.012 11.582 -4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.326 12.739 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.661 10.460 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.462 11.671 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.626 12.242 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.148 13.391 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.309 12.218 -5.761 1.00 0.00 H new ATOM 1058 N LEU A 69 7.894 7.710 -2.775 1.00 0.00 N ATOM 1059 CA LEU A 69 7.442 6.666 -3.679 1.00 0.00 C ATOM 1060 C LEU A 69 6.080 7.053 -4.259 1.00 0.00 C ATOM 1061 O LEU A 69 5.371 7.880 -3.688 1.00 0.00 O ATOM 1062 CB LEU A 69 7.447 5.308 -2.973 1.00 0.00 C ATOM 1063 CG LEU A 69 8.094 4.154 -3.741 1.00 0.00 C ATOM 1064 CD1 LEU A 69 9.121 3.425 -2.873 1.00 0.00 C ATOM 1065 CD2 LEU A 69 7.033 3.202 -4.296 1.00 0.00 C ATOM 0 H LEU A 69 7.147 8.213 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 69 8.129 6.566 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.964 5.419 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.416 5.035 -2.747 1.00 0.00 H new ATOM 0 HG LEU A 69 8.631 4.570 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.566 2.609 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.901 4.123 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.629 3.023 -1.988 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.520 2.391 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.448 2.790 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.374 3.746 -4.973 1.00 0.00 H new ATOM 1077 N LYS A 70 5.756 6.436 -5.386 1.00 0.00 N ATOM 1078 CA LYS A 70 4.492 6.706 -6.050 1.00 0.00 C ATOM 1079 C LYS A 70 3.388 5.878 -5.390 1.00 0.00 C ATOM 1080 O LYS A 70 3.666 5.020 -4.554 1.00 0.00 O ATOM 1081 CB LYS A 70 4.618 6.474 -7.557 1.00 0.00 C ATOM 1082 CG LYS A 70 5.900 7.106 -8.104 1.00 0.00 C ATOM 1083 CD LYS A 70 5.737 7.489 -9.576 1.00 0.00 C ATOM 1084 CE LYS A 70 5.054 8.851 -9.716 1.00 0.00 C ATOM 1085 NZ LYS A 70 4.156 8.862 -10.892 1.00 0.00 N ATOM 0 H LYS A 70 6.347 5.750 -5.856 1.00 0.00 H new ATOM 0 HA LYS A 70 4.217 7.754 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.618 5.404 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.753 6.898 -8.067 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.151 7.991 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.729 6.407 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.714 7.517 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.149 6.729 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.484 9.073 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.806 9.633 -9.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.701 9.794 -10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.708 8.671 -11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.427 8.129 -10.779 1.00 0.00 H new ATOM 1099 N PHE A 71 2.158 6.164 -5.791 1.00 0.00 N ATOM 1100 CA PHE A 71 1.011 5.456 -5.249 1.00 0.00 C ATOM 1101 C PHE A 71 0.544 4.356 -6.204 1.00 0.00 C ATOM 1102 O PHE A 71 -0.310 3.544 -5.852 1.00 0.00 O ATOM 1103 CB PHE A 71 -0.112 6.483 -5.085 1.00 0.00 C ATOM 1104 CG PHE A 71 -0.005 7.323 -3.811 1.00 0.00 C ATOM 1105 CD1 PHE A 71 -0.127 6.730 -2.593 1.00 0.00 C ATOM 1106 CD2 PHE A 71 0.210 8.663 -3.897 1.00 0.00 C ATOM 1107 CE1 PHE A 71 -0.028 7.510 -1.411 1.00 0.00 C ATOM 1108 CE2 PHE A 71 0.309 9.443 -2.714 1.00 0.00 C ATOM 1109 CZ PHE A 71 0.188 8.850 -1.496 1.00 0.00 C ATOM 0 H PHE A 71 1.931 6.876 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 71 1.277 4.988 -4.301 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.111 7.149 -5.948 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.070 5.962 -5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.299 5.666 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.305 9.134 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.124 7.039 -0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.480 10.507 -2.782 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.263 9.443 -0.597 1.00 0.00 H new ATOM 1119 N THR A 72 1.125 4.364 -7.395 1.00 0.00 N ATOM 1120 CA THR A 72 0.779 3.377 -8.404 1.00 0.00 C ATOM 1121 C THR A 72 1.934 2.394 -8.605 1.00 0.00 C ATOM 1122 O THR A 72 1.713 1.235 -8.954 1.00 0.00 O ATOM 1123 CB THR A 72 0.387 4.123 -9.681 1.00 0.00 C ATOM 1124 OG1 THR A 72 1.544 4.890 -10.004 1.00 0.00 O ATOM 1125 CG2 THR A 72 -0.699 5.173 -9.436 1.00 0.00 C ATOM 0 H THR A 72 1.833 5.039 -7.684 1.00 0.00 H new ATOM 0 HA THR A 72 -0.072 2.772 -8.090 1.00 0.00 H new ATOM 0 HB THR A 72 0.039 3.408 -10.427 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.378 5.404 -10.821 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.940 5.673 -10.374 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.593 4.688 -9.043 1.00 0.00 H new ATOM 0 HG23 THR A 72 -0.339 5.908 -8.716 1.00 0.00 H new ATOM 1133 N MET A 73 3.140 2.891 -8.376 1.00 0.00 N ATOM 1134 CA MET A 73 4.329 2.071 -8.527 1.00 0.00 C ATOM 1135 C MET A 73 4.613 1.275 -7.251 1.00 0.00 C ATOM 1136 O MET A 73 5.709 0.744 -7.077 1.00 0.00 O ATOM 1137 CB MET A 73 5.529 2.965 -8.849 1.00 0.00 C ATOM 1138 CG MET A 73 6.153 3.526 -7.570 1.00 0.00 C ATOM 1139 SD MET A 73 7.664 2.654 -7.195 1.00 0.00 S ATOM 1140 CE MET A 73 8.668 3.162 -8.580 1.00 0.00 C ATOM 0 H MET A 73 3.319 3.853 -8.087 1.00 0.00 H new ATOM 0 HA MET A 73 4.160 1.367 -9.342 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.275 2.394 -9.402 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.213 3.785 -9.494 1.00 0.00 H new ATOM 0 HG2 MET A 73 6.358 4.590 -7.692 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.452 3.429 -6.741 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.062 2.281 -9.086 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.061 3.740 -9.277 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.495 3.776 -8.224 1.00 0.00 H new ATOM 1150 N VAL A 74 3.607 1.219 -6.391 1.00 0.00 N ATOM 1151 CA VAL A 74 3.734 0.497 -5.137 1.00 0.00 C ATOM 1152 C VAL A 74 3.474 -0.991 -5.380 1.00 0.00 C ATOM 1153 O VAL A 74 4.016 -1.843 -4.678 1.00 0.00 O ATOM 1154 CB VAL A 74 2.800 1.103 -4.087 1.00 0.00 C ATOM 1155 CG1 VAL A 74 3.080 0.519 -2.701 1.00 0.00 C ATOM 1156 CG2 VAL A 74 2.910 2.629 -4.071 1.00 0.00 C ATOM 0 H VAL A 74 2.700 1.662 -6.538 1.00 0.00 H new ATOM 0 HA VAL A 74 4.747 0.590 -4.745 1.00 0.00 H new ATOM 0 HB VAL A 74 1.777 0.843 -4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.403 0.967 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.927 -0.560 -2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.110 0.734 -2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.236 3.034 -3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.934 2.917 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.638 3.024 -5.050 1.00 0.00 H new ATOM 1166 N SER A 75 2.644 -1.258 -6.378 1.00 0.00 N ATOM 1167 CA SER A 75 2.306 -2.628 -6.723 1.00 0.00 C ATOM 1168 C SER A 75 3.546 -3.359 -7.241 1.00 0.00 C ATOM 1169 O SER A 75 3.649 -4.579 -7.116 1.00 0.00 O ATOM 1170 CB SER A 75 1.188 -2.673 -7.767 1.00 0.00 C ATOM 1171 OG SER A 75 0.368 -3.830 -7.622 1.00 0.00 O ATOM 0 H SER A 75 2.196 -0.549 -6.958 1.00 0.00 H new ATOM 0 HA SER A 75 1.947 -3.128 -5.824 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.572 -1.778 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.624 -2.661 -8.766 1.00 0.00 H new ATOM 0 HG SER A 75 -0.334 -3.821 -8.305 1.00 0.00 H new ATOM 1177 N GLN A 76 4.456 -2.584 -7.811 1.00 0.00 N ATOM 1178 CA GLN A 76 5.685 -3.142 -8.348 1.00 0.00 C ATOM 1179 C GLN A 76 6.823 -2.993 -7.336 1.00 0.00 C ATOM 1180 O GLN A 76 7.993 -2.960 -7.713 1.00 0.00 O ATOM 1181 CB GLN A 76 6.048 -2.487 -9.682 1.00 0.00 C ATOM 1182 CG GLN A 76 6.431 -1.019 -9.485 1.00 0.00 C ATOM 1183 CD GLN A 76 6.516 -0.289 -10.828 1.00 0.00 C ATOM 1184 OE1 GLN A 76 5.723 -0.501 -11.730 1.00 0.00 O ATOM 1185 NE2 GLN A 76 7.521 0.579 -10.909 1.00 0.00 N ATOM 0 H GLN A 76 4.367 -1.573 -7.913 1.00 0.00 H new ATOM 0 HA GLN A 76 5.527 -4.204 -8.534 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.877 -3.025 -10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.204 -2.558 -10.368 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.695 -0.530 -8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.390 -0.956 -8.971 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.149 0.708 -10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.664 1.116 -11.765 1.00 0.00 H new ATOM 1194 N LYS A 77 6.439 -2.906 -6.071 1.00 0.00 N ATOM 1195 CA LYS A 77 7.412 -2.761 -5.002 1.00 0.00 C ATOM 1196 C LYS A 77 7.030 -3.681 -3.841 1.00 0.00 C ATOM 1197 O LYS A 77 7.852 -4.465 -3.369 1.00 0.00 O ATOM 1198 CB LYS A 77 7.552 -1.291 -4.601 1.00 0.00 C ATOM 1199 CG LYS A 77 8.283 -0.494 -5.683 1.00 0.00 C ATOM 1200 CD LYS A 77 9.644 -0.008 -5.181 1.00 0.00 C ATOM 1201 CE LYS A 77 10.077 1.263 -5.915 1.00 0.00 C ATOM 1202 NZ LYS A 77 11.540 1.456 -5.797 1.00 0.00 N ATOM 0 H LYS A 77 5.467 -2.933 -5.762 1.00 0.00 H new ATOM 0 HA LYS A 77 8.400 -3.071 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.565 -0.861 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.097 -1.218 -3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.419 -1.115 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.676 0.360 -5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.592 0.186 -4.110 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.390 -0.789 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.796 1.197 -6.966 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.556 2.125 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.818 2.323 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.799 1.540 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.033 0.641 -6.214 1.00 0.00 H new ATOM 1216 N ILE A 78 5.781 -3.557 -3.416 1.00 0.00 N ATOM 1217 CA ILE A 78 5.280 -4.368 -2.319 1.00 0.00 C ATOM 1218 C ILE A 78 5.290 -5.841 -2.734 1.00 0.00 C ATOM 1219 O ILE A 78 5.525 -6.721 -1.908 1.00 0.00 O ATOM 1220 CB ILE A 78 3.908 -3.866 -1.865 1.00 0.00 C ATOM 1221 CG1 ILE A 78 2.874 -4.008 -2.985 1.00 0.00 C ATOM 1222 CG2 ILE A 78 3.994 -2.430 -1.343 1.00 0.00 C ATOM 1223 CD1 ILE A 78 1.898 -5.148 -2.688 1.00 0.00 C ATOM 0 H ILE A 78 5.101 -2.907 -3.811 1.00 0.00 H new ATOM 0 HA ILE A 78 5.931 -4.277 -1.449 1.00 0.00 H new ATOM 0 HB ILE A 78 3.573 -4.490 -1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.324 -3.074 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.381 -4.196 -3.931 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.005 -2.098 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.678 -2.391 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.360 -1.776 -2.135 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.174 -5.228 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.449 -6.085 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.375 -4.945 -1.753 1.00 0.00 H new ATOM 1235 N SER A 79 5.031 -6.063 -4.015 1.00 0.00 N ATOM 1236 CA SER A 79 5.007 -7.414 -4.549 1.00 0.00 C ATOM 1237 C SER A 79 6.151 -8.235 -3.949 1.00 0.00 C ATOM 1238 O SER A 79 5.922 -9.303 -3.384 1.00 0.00 O ATOM 1239 CB SER A 79 5.106 -7.404 -6.076 1.00 0.00 C ATOM 1240 OG SER A 79 6.409 -7.041 -6.525 1.00 0.00 O ATOM 0 H SER A 79 4.836 -5.331 -4.698 1.00 0.00 H new ATOM 0 HA SER A 79 4.057 -7.873 -4.276 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.852 -8.391 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.375 -6.705 -6.482 1.00 0.00 H new ATOM 0 HG SER A 79 6.431 -7.048 -7.505 1.00 0.00 H new ATOM 1246 N HIS A 80 7.356 -7.705 -4.093 1.00 0.00 N ATOM 1247 CA HIS A 80 8.535 -8.375 -3.572 1.00 0.00 C ATOM 1248 C HIS A 80 8.266 -8.851 -2.143 1.00 0.00 C ATOM 1249 O HIS A 80 8.593 -9.983 -1.790 1.00 0.00 O ATOM 1250 CB HIS A 80 9.764 -7.469 -3.673 1.00 0.00 C ATOM 1251 CG HIS A 80 10.763 -7.904 -4.718 1.00 0.00 C ATOM 1252 ND1 HIS A 80 11.363 -7.018 -5.597 1.00 0.00 N ATOM 1253 CD2 HIS A 80 11.262 -9.138 -5.016 1.00 0.00 C ATOM 1254 CE1 HIS A 80 12.183 -7.700 -6.383 1.00 0.00 C ATOM 1255 NE2 HIS A 80 12.119 -9.014 -6.022 1.00 0.00 N ATOM 0 H HIS A 80 7.542 -6.819 -4.563 1.00 0.00 H new ATOM 0 HA HIS A 80 8.754 -9.255 -4.176 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.437 -6.454 -3.898 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.259 -7.436 -2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.003 -10.060 -4.517 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.795 -7.288 -7.172 1.00 0.00 H new ATOM 0 HE2 HIS A 80 12.643 -9.775 -6.454 1.00 0.00 H new ATOM 1263 N HIS A 81 7.673 -7.962 -1.359 1.00 0.00 N ATOM 1264 CA HIS A 81 7.356 -8.278 0.023 1.00 0.00 C ATOM 1265 C HIS A 81 6.255 -9.339 0.068 1.00 0.00 C ATOM 1266 O HIS A 81 6.276 -10.225 0.921 1.00 0.00 O ATOM 1267 CB HIS A 81 6.990 -7.011 0.799 1.00 0.00 C ATOM 1268 CG HIS A 81 8.136 -6.043 0.970 1.00 0.00 C ATOM 1269 ND1 HIS A 81 9.148 -6.235 1.894 1.00 0.00 N ATOM 1270 CD2 HIS A 81 8.419 -4.875 0.326 1.00 0.00 C ATOM 1271 CE1 HIS A 81 9.997 -5.222 1.802 1.00 0.00 C ATOM 1272 NE2 HIS A 81 9.543 -4.380 0.830 1.00 0.00 N ATOM 0 H HIS A 81 7.404 -7.024 -1.655 1.00 0.00 H new ATOM 0 HA HIS A 81 8.235 -8.695 0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.174 -6.505 0.284 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.618 -7.295 1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.829 -4.428 -0.461 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.891 -5.087 2.393 1.00 0.00 H new ATOM 0 HE2 HIS A 81 9.993 -3.512 0.538 1.00 0.00 H new ATOM 1280 N LEU A 82 5.319 -9.215 -0.862 1.00 0.00 N ATOM 1281 CA LEU A 82 4.211 -10.152 -0.939 1.00 0.00 C ATOM 1282 C LEU A 82 4.761 -11.572 -1.091 1.00 0.00 C ATOM 1283 O LEU A 82 5.532 -11.848 -2.009 1.00 0.00 O ATOM 1284 CB LEU A 82 3.242 -9.746 -2.050 1.00 0.00 C ATOM 1285 CG LEU A 82 2.722 -8.308 -1.994 1.00 0.00 C ATOM 1286 CD1 LEU A 82 1.623 -8.081 -3.034 1.00 0.00 C ATOM 1287 CD2 LEU A 82 2.259 -7.947 -0.582 1.00 0.00 C ATOM 0 H LEU A 82 5.305 -8.480 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 82 3.629 -10.131 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.737 -9.895 -3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.387 -10.422 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 82 3.544 -7.638 -2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.271 -7.051 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.021 -8.270 -4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.793 -8.760 -2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.894 -6.920 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.457 -8.620 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.095 -8.043 0.111 1.00 0.00 H new ATOM 1299 N SER A 83 4.342 -12.436 -0.178 1.00 0.00 N ATOM 1300 CA SER A 83 4.783 -13.820 -0.199 1.00 0.00 C ATOM 1301 C SER A 83 3.590 -14.752 0.024 1.00 0.00 C ATOM 1302 O SER A 83 2.546 -14.324 0.513 1.00 0.00 O ATOM 1303 CB SER A 83 5.858 -14.072 0.859 1.00 0.00 C ATOM 1304 OG SER A 83 7.104 -14.445 0.276 1.00 0.00 O ATOM 0 H SER A 83 3.702 -12.204 0.581 1.00 0.00 H new ATOM 0 HA SER A 83 5.219 -14.025 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.994 -13.172 1.459 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.524 -14.859 1.535 1.00 0.00 H new ATOM 0 HG SER A 83 7.765 -14.595 0.984 1.00 0.00 H new ATOM 1310 N PRO A 84 3.790 -16.043 -0.356 1.00 0.00 N ATOM 1311 CA PRO A 84 2.744 -17.039 -0.202 1.00 0.00 C ATOM 1312 C PRO A 84 2.595 -17.456 1.262 1.00 0.00 C ATOM 1313 O PRO A 84 3.558 -17.896 1.887 1.00 0.00 O ATOM 1314 CB PRO A 84 3.158 -18.187 -1.108 1.00 0.00 C ATOM 1315 CG PRO A 84 4.642 -17.993 -1.375 1.00 0.00 C ATOM 1316 CD PRO A 84 5.014 -16.586 -0.939 1.00 0.00 C ATOM 0 HA PRO A 84 1.760 -16.663 -0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 84 2.969 -19.149 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 84 2.589 -18.176 -2.038 1.00 0.00 H new ATOM 0 HG2 PRO A 84 5.228 -18.730 -0.826 1.00 0.00 H new ATOM 0 HG3 PRO A 84 4.861 -18.135 -2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.827 -16.598 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.350 -15.985 -1.784 1.00 0.00 H new ATOM 1324 N PRO A 85 1.347 -17.299 1.780 1.00 0.00 N ATOM 1325 CA PRO A 85 1.059 -17.655 3.159 1.00 0.00 C ATOM 1326 C PRO A 85 0.976 -19.173 3.328 1.00 0.00 C ATOM 1327 O PRO A 85 1.026 -19.914 2.348 1.00 0.00 O ATOM 1328 CB PRO A 85 -0.247 -16.949 3.483 1.00 0.00 C ATOM 1329 CG PRO A 85 -0.879 -16.607 2.144 1.00 0.00 C ATOM 1330 CD PRO A 85 0.182 -16.781 1.069 1.00 0.00 C ATOM 0 HA PRO A 85 1.846 -17.344 3.846 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.902 -17.591 4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -0.069 -16.049 4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.732 -17.257 1.947 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.253 -15.583 2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.149 -17.472 0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 85 0.407 -15.835 0.577 1.00 0.00 H new ATOM 1338 N PRO A 86 0.846 -19.602 4.612 1.00 0.00 N ATOM 1339 CA PRO A 86 0.755 -21.019 4.922 1.00 0.00 C ATOM 1340 C PRO A 86 -0.625 -21.572 4.562 1.00 0.00 C ATOM 1341 O PRO A 86 -1.612 -20.838 4.564 1.00 0.00 O ATOM 1342 CB PRO A 86 1.065 -21.117 6.407 1.00 0.00 C ATOM 1343 CG PRO A 86 0.860 -19.720 6.969 1.00 0.00 C ATOM 1344 CD PRO A 86 0.783 -18.754 5.798 1.00 0.00 C ATOM 0 HA PRO A 86 1.453 -21.622 4.342 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.407 -21.835 6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.087 -21.458 6.571 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -0.055 -19.677 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.682 -19.451 7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.140 -18.175 5.822 1.00 0.00 H new ATOM 0 HD3 PRO A 86 1.607 -18.041 5.819 1.00 0.00 H new ATOM 1352 N PRO A 87 -0.651 -22.896 4.252 1.00 0.00 N ATOM 1353 CA PRO A 87 -1.894 -23.556 3.890 1.00 0.00 C ATOM 1354 C PRO A 87 -2.769 -23.792 5.122 1.00 0.00 C ATOM 1355 O PRO A 87 -2.411 -23.389 6.228 1.00 0.00 O ATOM 1356 CB PRO A 87 -1.470 -24.845 3.206 1.00 0.00 C ATOM 1357 CG PRO A 87 -0.027 -25.083 3.623 1.00 0.00 C ATOM 1358 CD PRO A 87 0.498 -23.796 4.238 1.00 0.00 C ATOM 0 HA PRO A 87 -2.512 -22.953 3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.107 -25.676 3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.554 -24.758 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.033 -25.901 4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 87 0.577 -25.369 2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.880 -23.965 5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.318 -23.382 3.651 1.00 0.00 H new ATOM 1366 N SER A 88 -3.899 -24.443 4.890 1.00 0.00 N ATOM 1367 CA SER A 88 -4.828 -24.737 5.968 1.00 0.00 C ATOM 1368 C SER A 88 -6.053 -25.470 5.418 1.00 0.00 C ATOM 1369 O SER A 88 -7.114 -24.871 5.247 1.00 0.00 O ATOM 1370 CB SER A 88 -5.255 -23.459 6.692 1.00 0.00 C ATOM 1371 OG SER A 88 -5.508 -23.687 8.076 1.00 0.00 O ATOM 0 H SER A 88 -4.193 -24.775 3.971 1.00 0.00 H new ATOM 0 HA SER A 88 -4.322 -25.379 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.475 -22.705 6.586 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.153 -23.058 6.221 1.00 0.00 H new ATOM 0 HG SER A 88 -5.776 -22.846 8.502 1.00 0.00 H new ATOM 1377 N GLY A 89 -5.866 -26.755 5.155 1.00 0.00 N ATOM 1378 CA GLY A 89 -6.942 -27.575 4.627 1.00 0.00 C ATOM 1379 C GLY A 89 -7.689 -28.291 5.754 1.00 0.00 C ATOM 1380 O GLY A 89 -7.211 -28.341 6.887 1.00 0.00 O ATOM 0 H GLY A 89 -4.985 -27.248 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.637 -26.951 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.537 -28.309 3.931 1.00 0.00 H new ATOM 1384 N PRO A 90 -8.880 -28.842 5.396 1.00 0.00 N ATOM 1385 CA PRO A 90 -9.698 -29.553 6.364 1.00 0.00 C ATOM 1386 C PRO A 90 -9.112 -30.933 6.669 1.00 0.00 C ATOM 1387 O PRO A 90 -8.886 -31.273 7.829 1.00 0.00 O ATOM 1388 CB PRO A 90 -11.081 -29.620 5.737 1.00 0.00 C ATOM 1389 CG PRO A 90 -10.879 -29.360 4.253 1.00 0.00 C ATOM 1390 CD PRO A 90 -9.477 -28.803 4.064 1.00 0.00 C ATOM 0 HA PRO A 90 -9.738 -29.051 7.331 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.539 -30.595 5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -11.746 -28.876 6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.004 -30.281 3.684 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -11.623 -28.654 3.884 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.905 -29.402 3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.504 -27.786 3.672 1.00 0.00 H new ATOM 1398 N SER A 91 -8.882 -31.690 5.606 1.00 0.00 N ATOM 1399 CA SER A 91 -8.326 -33.026 5.745 1.00 0.00 C ATOM 1400 C SER A 91 -7.692 -33.469 4.426 1.00 0.00 C ATOM 1401 O SER A 91 -8.357 -34.071 3.584 1.00 0.00 O ATOM 1402 CB SER A 91 -9.399 -34.026 6.180 1.00 0.00 C ATOM 1403 OG SER A 91 -9.264 -34.392 7.551 1.00 0.00 O ATOM 0 H SER A 91 -9.070 -31.404 4.645 1.00 0.00 H new ATOM 0 HA SER A 91 -7.558 -32.998 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.386 -33.593 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.335 -34.919 5.558 1.00 0.00 H new ATOM 0 HG SER A 91 -9.137 -33.586 8.094 1.00 0.00 H new ATOM 1409 N SER A 92 -6.412 -33.154 4.286 1.00 0.00 N ATOM 1410 CA SER A 92 -5.680 -33.511 3.083 1.00 0.00 C ATOM 1411 C SER A 92 -6.044 -34.934 2.653 1.00 0.00 C ATOM 1412 O SER A 92 -6.510 -35.148 1.535 1.00 0.00 O ATOM 1413 CB SER A 92 -4.171 -33.393 3.300 1.00 0.00 C ATOM 1414 OG SER A 92 -3.664 -32.138 2.853 1.00 0.00 O ATOM 0 H SER A 92 -5.863 -32.655 4.986 1.00 0.00 H new ATOM 0 HA SER A 92 -5.961 -32.815 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.946 -33.518 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.664 -34.199 2.769 1.00 0.00 H new ATOM 0 HG SER A 92 -2.697 -32.101 3.010 1.00 0.00 H new ATOM 1420 N GLY A 93 -5.818 -35.869 3.563 1.00 0.00 N ATOM 1421 CA GLY A 93 -6.116 -37.265 3.292 1.00 0.00 C ATOM 1422 C GLY A 93 -4.837 -38.053 3.001 1.00 0.00 C ATOM 1423 O GLY A 93 -4.144 -37.779 2.022 1.00 0.00 O ATOM 0 H GLY A 93 -5.432 -35.687 4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -6.631 -37.703 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.793 -37.337 2.441 1.00 0.00 H new TER 1427 GLY A 93