USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 HIS : no HD1:sc= 0.758 K(o=-13,f=-22!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -15! C(o=-13!,f=-14!) USER MOD Set 1.3: A 85 SER OG : rot -82:sc= 1.12 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0.784 USER MOD Set 2.2: A 34 HIS : no HE2:sc= 0.856 K(o=1.6,f=-5!) 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= -0.047 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 10 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 12:sc= 0.778 USER MOD Single : A 23 SER OG : rot 180:sc= -0.213 USER MOD Single : A 36 CYS SG : rot 66:sc= -1.09 USER MOD Single : A 38 MET CE :methyl -141:sc= -0.928 (180deg=-5.23!) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.0584 F(o=-0.89,f=-0.058) USER MOD Single : A 47 SER OG : rot 61:sc= 0.267 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.33 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -1.28 F(o=-2.1,f=-1.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0978 K(o=-0.098,f=-2!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.871 -25.599 11.106 1.00 0.00 N ATOM 2 CA GLY A 1 0.593 -24.222 10.734 1.00 0.00 C ATOM 3 C GLY A 1 -0.909 -23.935 10.780 1.00 0.00 C ATOM 4 O GLY A 1 -1.508 -23.572 9.768 1.00 0.00 O ATOM 0 H1 GLY A 1 1.896 -25.769 11.067 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.527 -25.774 12.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.388 -26.241 10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.117 -23.546 11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.973 -24.028 9.731 1.00 0.00 H new ATOM 8 N SER A 2 -1.476 -24.107 11.966 1.00 0.00 N ATOM 9 CA SER A 2 -2.897 -23.870 12.158 1.00 0.00 C ATOM 10 C SER A 2 -3.110 -22.578 12.949 1.00 0.00 C ATOM 11 O SER A 2 -2.335 -22.264 13.851 1.00 0.00 O ATOM 12 CB SER A 2 -3.559 -25.048 12.875 1.00 0.00 C ATOM 13 OG SER A 2 -4.491 -25.727 12.038 1.00 0.00 O ATOM 0 H SER A 2 -0.977 -24.408 12.803 1.00 0.00 H new ATOM 0 HA SER A 2 -3.363 -23.768 11.178 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.792 -25.748 13.206 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.069 -24.688 13.768 1.00 0.00 H new ATOM 0 HG SER A 2 -4.891 -26.473 12.532 1.00 0.00 H new ATOM 19 N SER A 3 -4.164 -21.864 12.583 1.00 0.00 N ATOM 20 CA SER A 3 -4.489 -20.614 13.248 1.00 0.00 C ATOM 21 C SER A 3 -5.978 -20.305 13.084 1.00 0.00 C ATOM 22 O SER A 3 -6.699 -20.165 14.070 1.00 0.00 O ATOM 23 CB SER A 3 -3.644 -19.463 12.699 1.00 0.00 C ATOM 24 OG SER A 3 -3.698 -19.393 11.276 1.00 0.00 O ATOM 0 H SER A 3 -4.804 -22.128 11.834 1.00 0.00 H new ATOM 0 HA SER A 3 -4.262 -20.722 14.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.995 -18.522 13.122 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.609 -19.589 13.017 1.00 0.00 H new ATOM 0 HG SER A 3 -3.147 -18.645 10.964 1.00 0.00 H new ATOM 30 N GLY A 4 -6.395 -20.209 11.830 1.00 0.00 N ATOM 31 CA GLY A 4 -7.786 -19.919 11.524 1.00 0.00 C ATOM 32 C GLY A 4 -8.014 -19.862 10.012 1.00 0.00 C ATOM 33 O GLY A 4 -8.417 -20.853 9.404 1.00 0.00 O ATOM 0 H GLY A 4 -5.794 -20.327 11.014 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.426 -20.684 11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.071 -18.968 11.975 1.00 0.00 H new ATOM 37 N SER A 5 -7.747 -18.693 9.449 1.00 0.00 N ATOM 38 CA SER A 5 -7.918 -18.495 8.019 1.00 0.00 C ATOM 39 C SER A 5 -9.375 -18.748 7.627 1.00 0.00 C ATOM 40 O SER A 5 -9.827 -19.892 7.611 1.00 0.00 O ATOM 41 CB SER A 5 -6.986 -19.408 7.221 1.00 0.00 C ATOM 42 OG SER A 5 -7.401 -19.539 5.864 1.00 0.00 O ATOM 0 H SER A 5 -7.414 -17.873 9.956 1.00 0.00 H new ATOM 0 HA SER A 5 -7.659 -17.463 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.972 -19.009 7.253 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.956 -20.393 7.688 1.00 0.00 H new ATOM 0 HG SER A 5 -6.780 -20.128 5.387 1.00 0.00 H new ATOM 48 N SER A 6 -10.069 -17.662 7.319 1.00 0.00 N ATOM 49 CA SER A 6 -11.465 -17.753 6.927 1.00 0.00 C ATOM 50 C SER A 6 -11.588 -17.669 5.405 1.00 0.00 C ATOM 51 O SER A 6 -12.131 -18.572 4.771 1.00 0.00 O ATOM 52 CB SER A 6 -12.295 -16.650 7.589 1.00 0.00 C ATOM 53 OG SER A 6 -13.094 -17.152 8.656 1.00 0.00 O ATOM 0 H SER A 6 -9.691 -16.715 7.333 1.00 0.00 H new ATOM 0 HA SER A 6 -11.853 -18.714 7.263 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.630 -15.874 7.968 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.938 -16.183 6.843 1.00 0.00 H new ATOM 0 HG SER A 6 -13.607 -16.418 9.054 1.00 0.00 H new ATOM 59 N GLY A 7 -11.074 -16.575 4.861 1.00 0.00 N ATOM 60 CA GLY A 7 -11.119 -16.361 3.425 1.00 0.00 C ATOM 61 C GLY A 7 -9.741 -15.975 2.884 1.00 0.00 C ATOM 62 O GLY A 7 -8.780 -15.865 3.644 1.00 0.00 O ATOM 0 H GLY A 7 -10.624 -15.828 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.467 -17.267 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.838 -15.575 3.193 1.00 0.00 H new ATOM 66 N ARG A 8 -9.688 -15.780 1.574 1.00 0.00 N ATOM 67 CA ARG A 8 -8.443 -15.408 0.923 1.00 0.00 C ATOM 68 C ARG A 8 -7.869 -14.141 1.559 1.00 0.00 C ATOM 69 O ARG A 8 -8.581 -13.410 2.247 1.00 0.00 O ATOM 70 CB ARG A 8 -8.654 -15.170 -0.573 1.00 0.00 C ATOM 71 CG ARG A 8 -8.535 -16.477 -1.359 1.00 0.00 C ATOM 72 CD ARG A 8 -9.691 -16.628 -2.350 1.00 0.00 C ATOM 73 NE ARG A 8 -9.390 -15.887 -3.595 1.00 0.00 N ATOM 74 CZ ARG A 8 -10.240 -15.770 -4.624 1.00 0.00 C ATOM 75 NH1 ARG A 8 -11.449 -16.346 -4.564 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.882 -15.078 -5.715 1.00 0.00 N ATOM 0 H ARG A 8 -10.487 -15.873 0.946 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.742 -16.232 1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.637 -14.730 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.918 -14.454 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.586 -16.498 -1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.530 -17.321 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.853 -17.682 -2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.613 -16.251 -1.907 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.478 -15.437 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.722 -16.874 -3.735 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.096 -16.257 -5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.962 -14.640 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.530 -14.989 -6.498 1.00 0.00 H new ATOM 90 N PRO A 9 -6.554 -13.912 1.300 1.00 0.00 N ATOM 91 CA PRO A 9 -5.876 -12.745 1.839 1.00 0.00 C ATOM 92 C PRO A 9 -6.281 -11.478 1.082 1.00 0.00 C ATOM 93 O PRO A 9 -6.920 -11.554 0.034 1.00 0.00 O ATOM 94 CB PRO A 9 -4.394 -13.061 1.719 1.00 0.00 C ATOM 95 CG PRO A 9 -4.288 -14.183 0.699 1.00 0.00 C ATOM 96 CD PRO A 9 -5.680 -14.756 0.490 1.00 0.00 C ATOM 0 HA PRO A 9 -6.144 -12.544 2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.833 -12.184 1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.981 -13.367 2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.885 -13.807 -0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.606 -14.956 1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.966 -14.728 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.731 -15.798 0.807 1.00 0.00 H new ATOM 104 N HIS A 10 -5.892 -10.343 1.643 1.00 0.00 N ATOM 105 CA HIS A 10 -6.206 -9.061 1.035 1.00 0.00 C ATOM 106 C HIS A 10 -4.975 -8.526 0.300 1.00 0.00 C ATOM 107 O HIS A 10 -3.969 -8.195 0.927 1.00 0.00 O ATOM 108 CB HIS A 10 -6.746 -8.082 2.079 1.00 0.00 C ATOM 109 CG HIS A 10 -8.117 -8.437 2.602 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.285 -8.024 1.985 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.494 -9.169 3.689 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.313 -8.492 2.679 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.820 -9.201 3.735 1.00 0.00 N ATOM 0 H HIS A 10 -5.362 -10.284 2.512 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.999 -9.189 0.298 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.049 -8.038 2.916 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.782 -7.084 1.642 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.826 -9.643 4.393 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.357 -8.339 2.449 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.378 -9.677 4.443 1.00 0.00 H new ATOM 121 N VAL A 11 -5.095 -8.458 -1.017 1.00 0.00 N ATOM 122 CA VAL A 11 -4.004 -7.969 -1.843 1.00 0.00 C ATOM 123 C VAL A 11 -4.126 -6.451 -1.994 1.00 0.00 C ATOM 124 O VAL A 11 -4.894 -5.965 -2.823 1.00 0.00 O ATOM 125 CB VAL A 11 -3.994 -8.703 -3.185 1.00 0.00 C ATOM 126 CG1 VAL A 11 -3.045 -8.025 -4.175 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.631 -10.178 -3.000 1.00 0.00 C ATOM 0 H VAL A 11 -5.931 -8.733 -1.533 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.044 -8.173 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.001 -8.655 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.057 -8.567 -5.120 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.367 -6.997 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.033 -8.027 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.631 -10.677 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.640 -10.255 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.363 -10.654 -2.347 1.00 0.00 H new ATOM 137 N VAL A 12 -3.356 -5.744 -1.180 1.00 0.00 N ATOM 138 CA VAL A 12 -3.367 -4.292 -1.212 1.00 0.00 C ATOM 139 C VAL A 12 -2.392 -3.802 -2.285 1.00 0.00 C ATOM 140 O VAL A 12 -1.253 -4.260 -2.349 1.00 0.00 O ATOM 141 CB VAL A 12 -3.055 -3.735 0.179 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.079 -2.205 0.175 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.022 -4.296 1.223 1.00 0.00 C ATOM 0 H VAL A 12 -2.720 -6.150 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.357 -3.924 -1.480 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.048 -4.053 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.854 -1.835 1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.333 -1.831 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.067 -1.857 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.779 -3.885 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.043 -4.022 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.934 -5.382 1.254 1.00 0.00 H new ATOM 153 N LYS A 13 -2.876 -2.876 -3.100 1.00 0.00 N ATOM 154 CA LYS A 13 -2.061 -2.320 -4.167 1.00 0.00 C ATOM 155 C LYS A 13 -1.616 -0.908 -3.779 1.00 0.00 C ATOM 156 O LYS A 13 -2.396 0.039 -3.869 1.00 0.00 O ATOM 157 CB LYS A 13 -2.808 -2.384 -5.501 1.00 0.00 C ATOM 158 CG LYS A 13 -2.986 -3.833 -5.960 1.00 0.00 C ATOM 159 CD LYS A 13 -4.042 -3.933 -7.062 1.00 0.00 C ATOM 160 CE LYS A 13 -5.453 -3.811 -6.483 1.00 0.00 C ATOM 161 NZ LYS A 13 -6.434 -4.487 -7.360 1.00 0.00 N ATOM 0 H LYS A 13 -3.821 -2.497 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.157 -2.914 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.784 -1.909 -5.399 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.258 -1.824 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.036 -4.222 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.279 -4.453 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.879 -3.147 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.940 -4.885 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.483 -4.252 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.718 -2.759 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.386 -4.394 -6.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.417 -4.048 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.189 -5.494 -7.443 1.00 0.00 H new ATOM 175 N VAL A 14 -0.364 -0.812 -3.356 1.00 0.00 N ATOM 176 CA VAL A 14 0.194 0.468 -2.954 1.00 0.00 C ATOM 177 C VAL A 14 0.986 1.063 -4.120 1.00 0.00 C ATOM 178 O VAL A 14 1.845 0.396 -4.695 1.00 0.00 O ATOM 179 CB VAL A 14 1.032 0.298 -1.686 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.995 1.474 -1.503 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.138 0.126 -0.456 1.00 0.00 C ATOM 0 H VAL A 14 0.280 -1.600 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.601 1.172 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 14 1.627 -0.609 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.579 1.328 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.666 1.532 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.427 2.401 -1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.759 0.007 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.495 1.006 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.488 -0.758 -0.582 1.00 0.00 H new ATOM 191 N TYR A 15 0.670 2.311 -4.433 1.00 0.00 N ATOM 192 CA TYR A 15 1.342 3.002 -5.520 1.00 0.00 C ATOM 193 C TYR A 15 2.418 3.949 -4.985 1.00 0.00 C ATOM 194 O TYR A 15 2.273 4.510 -3.899 1.00 0.00 O ATOM 195 CB TYR A 15 0.263 3.824 -6.228 1.00 0.00 C ATOM 196 CG TYR A 15 -0.698 2.990 -7.076 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.787 2.380 -6.487 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.476 2.846 -8.431 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.692 1.594 -7.286 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.381 2.061 -9.230 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.444 1.474 -8.618 1.00 0.00 C ATOM 202 OH TYR A 15 -3.299 0.732 -9.372 1.00 0.00 O ATOM 0 H TYR A 15 -0.042 2.861 -3.953 1.00 0.00 H new ATOM 0 HA TYR A 15 1.829 2.289 -6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.311 4.372 -5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.745 4.565 -6.866 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.961 2.492 -5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.377 3.322 -8.892 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.548 1.111 -6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.219 1.941 -10.291 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.999 0.735 -10.305 1.00 0.00 H new ATOM 212 N SER A 16 3.474 4.098 -5.771 1.00 0.00 N ATOM 213 CA SER A 16 4.574 4.968 -5.390 1.00 0.00 C ATOM 214 C SER A 16 4.545 6.247 -6.229 1.00 0.00 C ATOM 215 O SER A 16 4.122 6.227 -7.384 1.00 0.00 O ATOM 216 CB SER A 16 5.919 4.257 -5.552 1.00 0.00 C ATOM 217 OG SER A 16 6.700 4.313 -4.361 1.00 0.00 O ATOM 0 H SER A 16 3.591 3.631 -6.670 1.00 0.00 H new ATOM 0 HA SER A 16 4.456 5.229 -4.338 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.748 3.216 -5.825 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.474 4.714 -6.371 1.00 0.00 H new ATOM 0 HG SER A 16 7.550 3.847 -4.505 1.00 0.00 H new ATOM 223 N GLU A 17 5.001 7.329 -5.615 1.00 0.00 N ATOM 224 CA GLU A 17 5.032 8.615 -6.291 1.00 0.00 C ATOM 225 C GLU A 17 5.559 8.452 -7.718 1.00 0.00 C ATOM 226 O GLU A 17 4.924 8.896 -8.673 1.00 0.00 O ATOM 227 CB GLU A 17 5.873 9.625 -5.508 1.00 0.00 C ATOM 228 CG GLU A 17 4.992 10.719 -4.902 1.00 0.00 C ATOM 229 CD GLU A 17 5.660 12.091 -5.022 1.00 0.00 C ATOM 230 OE1 GLU A 17 5.622 12.645 -6.142 1.00 0.00 O ATOM 231 OE2 GLU A 17 6.195 12.554 -3.991 1.00 0.00 O ATOM 0 H GLU A 17 5.352 7.342 -4.657 1.00 0.00 H new ATOM 0 HA GLU A 17 4.014 9.001 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.419 9.113 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.615 10.075 -6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.027 10.735 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.798 10.495 -3.853 1.00 0.00 H new ATOM 238 N ASP A 18 6.715 7.813 -7.819 1.00 0.00 N ATOM 239 CA ASP A 18 7.335 7.585 -9.113 1.00 0.00 C ATOM 240 C ASP A 18 6.280 7.073 -10.096 1.00 0.00 C ATOM 241 O ASP A 18 6.250 7.489 -11.253 1.00 0.00 O ATOM 242 CB ASP A 18 8.442 6.534 -9.017 1.00 0.00 C ATOM 243 CG ASP A 18 9.790 7.057 -8.518 1.00 0.00 C ATOM 244 OD1 ASP A 18 9.808 8.211 -8.037 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.772 6.292 -8.629 1.00 0.00 O ATOM 0 H ASP A 18 7.239 7.446 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 18 7.763 8.528 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.109 5.738 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.584 6.088 -10.001 1.00 0.00 H new ATOM 250 N GLY A 19 5.440 6.177 -9.598 1.00 0.00 N ATOM 251 CA GLY A 19 4.386 5.603 -10.418 1.00 0.00 C ATOM 252 C GLY A 19 4.323 4.084 -10.245 1.00 0.00 C ATOM 253 O GLY A 19 3.267 3.479 -10.427 1.00 0.00 O ATOM 0 H GLY A 19 5.468 5.835 -8.638 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.427 6.044 -10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.562 5.846 -11.466 1.00 0.00 H new ATOM 257 N ALA A 20 5.465 3.512 -9.895 1.00 0.00 N ATOM 258 CA ALA A 20 5.553 2.075 -9.696 1.00 0.00 C ATOM 259 C ALA A 20 4.453 1.631 -8.729 1.00 0.00 C ATOM 260 O ALA A 20 4.144 2.335 -7.769 1.00 0.00 O ATOM 261 CB ALA A 20 6.952 1.714 -9.193 1.00 0.00 C ATOM 0 H ALA A 20 6.338 4.018 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 20 5.399 1.547 -10.637 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.018 0.636 -9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.694 2.025 -9.928 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.142 2.223 -8.248 1.00 0.00 H new ATOM 267 N CYS A 21 3.892 0.466 -9.017 1.00 0.00 N ATOM 268 CA CYS A 21 2.833 -0.080 -8.185 1.00 0.00 C ATOM 269 C CYS A 21 3.318 -1.409 -7.602 1.00 0.00 C ATOM 270 O CYS A 21 3.879 -2.237 -8.317 1.00 0.00 O ATOM 271 CB CYS A 21 1.527 -0.242 -8.966 1.00 0.00 C ATOM 272 SG CYS A 21 1.638 -1.693 -10.076 1.00 0.00 S ATOM 0 H CYS A 21 4.151 -0.115 -9.815 1.00 0.00 H new ATOM 0 HA CYS A 21 2.611 0.612 -7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.693 -0.365 -8.275 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.328 0.658 -9.548 1.00 0.00 H new ATOM 0 HG CYS A 21 2.689 -2.394 -9.770 1.00 0.00 H new ATOM 278 N ARG A 22 3.083 -1.571 -6.308 1.00 0.00 N ATOM 279 CA ARG A 22 3.489 -2.784 -5.620 1.00 0.00 C ATOM 280 C ARG A 22 2.342 -3.314 -4.757 1.00 0.00 C ATOM 281 O ARG A 22 1.557 -2.537 -4.215 1.00 0.00 O ATOM 282 CB ARG A 22 4.711 -2.533 -4.734 1.00 0.00 C ATOM 283 CG ARG A 22 4.461 -1.370 -3.772 1.00 0.00 C ATOM 284 CD ARG A 22 5.780 -0.771 -3.281 1.00 0.00 C ATOM 285 NE ARG A 22 6.826 -1.818 -3.236 1.00 0.00 N ATOM 286 CZ ARG A 22 7.686 -2.064 -4.234 1.00 0.00 C ATOM 287 NH1 ARG A 22 7.631 -1.339 -5.360 1.00 0.00 N ATOM 288 NH2 ARG A 22 8.602 -3.034 -4.105 1.00 0.00 N ATOM 0 H ARG A 22 2.616 -0.882 -5.718 1.00 0.00 H new ATOM 0 HA ARG A 22 3.750 -3.523 -6.378 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.945 -3.434 -4.168 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.578 -2.314 -5.357 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.872 -0.601 -4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.876 -1.717 -2.920 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.091 0.037 -3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.645 -0.337 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 22 6.896 -2.388 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.935 -0.600 -5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.286 -1.526 -6.120 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.644 -3.585 -3.247 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.257 -3.221 -4.864 1.00 0.00 H new ATOM 302 N SER A 23 2.281 -4.634 -4.655 1.00 0.00 N ATOM 303 CA SER A 23 1.243 -5.276 -3.867 1.00 0.00 C ATOM 304 C SER A 23 1.862 -5.969 -2.651 1.00 0.00 C ATOM 305 O SER A 23 3.012 -6.403 -2.699 1.00 0.00 O ATOM 306 CB SER A 23 0.457 -6.284 -4.709 1.00 0.00 C ATOM 307 OG SER A 23 -0.165 -5.670 -5.834 1.00 0.00 O ATOM 0 H SER A 23 2.934 -5.276 -5.105 1.00 0.00 H new ATOM 0 HA SER A 23 0.549 -4.508 -3.525 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.128 -7.072 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.303 -6.759 -4.089 1.00 0.00 H new ATOM 0 HG SER A 23 -0.655 -6.346 -6.347 1.00 0.00 H new ATOM 313 N VAL A 24 1.072 -6.050 -1.591 1.00 0.00 N ATOM 314 CA VAL A 24 1.528 -6.682 -0.365 1.00 0.00 C ATOM 315 C VAL A 24 0.455 -7.653 0.134 1.00 0.00 C ATOM 316 O VAL A 24 -0.722 -7.301 0.202 1.00 0.00 O ATOM 317 CB VAL A 24 1.896 -5.616 0.669 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.257 -4.992 0.352 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.809 -4.543 0.760 1.00 0.00 C ATOM 0 H VAL A 24 0.119 -5.688 -1.556 1.00 0.00 H new ATOM 0 HA VAL A 24 2.432 -7.263 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 24 1.969 -6.103 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.495 -4.238 1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.024 -5.767 0.361 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.223 -4.526 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.095 -3.797 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.690 -4.062 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.134 -5.004 1.054 1.00 0.00 H new ATOM 329 N GLU A 25 0.899 -8.855 0.469 1.00 0.00 N ATOM 330 CA GLU A 25 -0.008 -9.878 0.959 1.00 0.00 C ATOM 331 C GLU A 25 -0.310 -9.654 2.443 1.00 0.00 C ATOM 332 O GLU A 25 0.548 -9.878 3.295 1.00 0.00 O ATOM 333 CB GLU A 25 0.563 -11.277 0.721 1.00 0.00 C ATOM 334 CG GLU A 25 -0.323 -12.075 -0.238 1.00 0.00 C ATOM 335 CD GLU A 25 -0.131 -13.580 -0.038 1.00 0.00 C ATOM 336 OE1 GLU A 25 -0.233 -14.015 1.129 1.00 0.00 O ATOM 337 OE2 GLU A 25 0.114 -14.261 -1.057 1.00 0.00 O ATOM 0 H GLU A 25 1.876 -9.143 0.411 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.942 -9.803 0.403 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.570 -11.198 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.646 -11.806 1.670 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.369 -11.813 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.084 -11.808 -1.267 1.00 0.00 H new ATOM 344 N VAL A 26 -1.532 -9.215 2.705 1.00 0.00 N ATOM 345 CA VAL A 26 -1.958 -8.959 4.071 1.00 0.00 C ATOM 346 C VAL A 26 -3.325 -9.604 4.305 1.00 0.00 C ATOM 347 O VAL A 26 -3.926 -10.146 3.378 1.00 0.00 O ATOM 348 CB VAL A 26 -1.952 -7.454 4.346 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.526 -6.900 4.340 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.834 -6.709 3.342 1.00 0.00 C ATOM 0 H VAL A 26 -2.241 -9.030 1.995 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.262 -9.409 4.779 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.369 -7.295 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.551 -5.828 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.061 -7.398 5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.070 -7.078 3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.812 -5.641 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.461 -6.881 2.332 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.859 -7.073 3.417 1.00 0.00 H new ATOM 360 N ALA A 27 -3.776 -9.525 5.548 1.00 0.00 N ATOM 361 CA ALA A 27 -5.061 -10.096 5.915 1.00 0.00 C ATOM 362 C ALA A 27 -5.787 -9.138 6.862 1.00 0.00 C ATOM 363 O ALA A 27 -5.153 -8.333 7.542 1.00 0.00 O ATOM 364 CB ALA A 27 -4.849 -11.479 6.533 1.00 0.00 C ATOM 0 H ALA A 27 -3.275 -9.074 6.314 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.689 -10.227 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.813 -11.906 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.357 -12.129 5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.226 -11.388 7.422 1.00 0.00 H new ATOM 370 N ALA A 28 -7.107 -9.258 6.877 1.00 0.00 N ATOM 371 CA ALA A 28 -7.925 -8.413 7.729 1.00 0.00 C ATOM 372 C ALA A 28 -7.245 -8.258 9.091 1.00 0.00 C ATOM 373 O ALA A 28 -7.360 -9.131 9.950 1.00 0.00 O ATOM 374 CB ALA A 28 -9.329 -9.011 7.844 1.00 0.00 C ATOM 0 H ALA A 28 -7.630 -9.928 6.312 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.028 -7.418 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.943 -8.377 8.483 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.780 -9.073 6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.265 -10.009 8.277 1.00 0.00 H new ATOM 380 N GLY A 29 -6.550 -7.140 9.246 1.00 0.00 N ATOM 381 CA GLY A 29 -5.851 -6.860 10.488 1.00 0.00 C ATOM 382 C GLY A 29 -4.694 -5.885 10.258 1.00 0.00 C ATOM 383 O GLY A 29 -4.542 -4.912 10.995 1.00 0.00 O ATOM 0 H GLY A 29 -6.456 -6.418 8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.547 -6.440 11.214 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.470 -7.789 10.912 1.00 0.00 H new ATOM 387 N ALA A 30 -3.908 -6.180 9.233 1.00 0.00 N ATOM 388 CA ALA A 30 -2.770 -5.341 8.897 1.00 0.00 C ATOM 389 C ALA A 30 -3.181 -3.870 8.991 1.00 0.00 C ATOM 390 O ALA A 30 -4.269 -3.497 8.556 1.00 0.00 O ATOM 391 CB ALA A 30 -2.254 -5.715 7.506 1.00 0.00 C ATOM 0 H ALA A 30 -4.037 -6.988 8.624 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.954 -5.500 9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.400 -5.086 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.948 -6.761 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.045 -5.565 6.772 1.00 0.00 H new ATOM 397 N THR A 31 -2.288 -3.075 9.561 1.00 0.00 N ATOM 398 CA THR A 31 -2.543 -1.653 9.718 1.00 0.00 C ATOM 399 C THR A 31 -1.760 -0.853 8.676 1.00 0.00 C ATOM 400 O THR A 31 -0.988 -1.420 7.904 1.00 0.00 O ATOM 401 CB THR A 31 -2.206 -1.268 11.159 1.00 0.00 C ATOM 402 OG1 THR A 31 -0.878 -1.749 11.346 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.032 -2.049 12.183 1.00 0.00 C ATOM 0 H THR A 31 -1.386 -3.389 9.920 1.00 0.00 H new ATOM 0 HA THR A 31 -3.592 -1.418 9.541 1.00 0.00 H new ATOM 0 HB THR A 31 -2.373 -0.200 11.297 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.579 -1.540 12.256 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.753 -1.737 13.189 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.092 -1.851 12.022 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.840 -3.116 12.068 1.00 0.00 H new ATOM 411 N ALA A 32 -1.986 0.453 8.687 1.00 0.00 N ATOM 412 CA ALA A 32 -1.311 1.337 7.752 1.00 0.00 C ATOM 413 C ALA A 32 0.201 1.238 7.965 1.00 0.00 C ATOM 414 O ALA A 32 0.979 1.511 7.052 1.00 0.00 O ATOM 415 CB ALA A 32 -1.833 2.764 7.931 1.00 0.00 C ATOM 0 H ALA A 32 -2.627 0.920 9.329 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.519 1.040 6.724 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.327 3.427 7.230 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.906 2.785 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.639 3.097 8.950 1.00 0.00 H new ATOM 421 N ARG A 33 0.572 0.848 9.176 1.00 0.00 N ATOM 422 CA ARG A 33 1.977 0.710 9.520 1.00 0.00 C ATOM 423 C ARG A 33 2.535 -0.598 8.957 1.00 0.00 C ATOM 424 O ARG A 33 3.632 -0.621 8.400 1.00 0.00 O ATOM 425 CB ARG A 33 2.177 0.731 11.037 1.00 0.00 C ATOM 426 CG ARG A 33 3.480 0.032 11.428 1.00 0.00 C ATOM 427 CD ARG A 33 4.690 0.749 10.825 1.00 0.00 C ATOM 428 NE ARG A 33 5.821 0.723 11.779 1.00 0.00 N ATOM 429 CZ ARG A 33 5.898 1.491 12.874 1.00 0.00 C ATOM 430 NH1 ARG A 33 4.911 2.350 13.161 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.963 1.400 13.683 1.00 0.00 N ATOM 0 H ARG A 33 -0.076 0.623 9.931 1.00 0.00 H new ATOM 0 HA ARG A 33 2.510 1.554 9.083 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.193 1.762 11.391 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.336 0.239 11.525 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.572 0.007 12.514 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.458 -1.003 11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.980 0.268 9.891 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.430 1.780 10.585 1.00 0.00 H new ATOM 0 HE ARG A 33 6.590 0.080 11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.100 2.420 12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.970 2.935 13.995 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.715 0.746 13.465 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.022 1.985 14.517 1.00 0.00 H new ATOM 445 N HIS A 34 1.756 -1.657 9.122 1.00 0.00 N ATOM 446 CA HIS A 34 2.159 -2.966 8.637 1.00 0.00 C ATOM 447 C HIS A 34 2.652 -2.849 7.194 1.00 0.00 C ATOM 448 O HIS A 34 3.735 -3.330 6.863 1.00 0.00 O ATOM 449 CB HIS A 34 1.022 -3.977 8.795 1.00 0.00 C ATOM 450 CG HIS A 34 1.011 -4.686 10.128 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.720 -4.042 11.318 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.257 -5.990 10.446 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.792 -4.927 12.301 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.125 -6.133 11.759 1.00 0.00 N ATOM 0 H HIS A 34 0.847 -1.635 9.585 1.00 0.00 H new ATOM 0 HA HIS A 34 2.987 -3.341 9.238 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.071 -3.462 8.661 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.097 -4.720 8.001 1.00 0.00 H new ATOM 0 HD1 HIS A 34 0.489 -3.054 11.421 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.515 -6.773 9.748 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.618 -4.728 13.348 1.00 0.00 H new ATOM 462 N VAL A 35 1.834 -2.207 6.373 1.00 0.00 N ATOM 463 CA VAL A 35 2.174 -2.021 4.972 1.00 0.00 C ATOM 464 C VAL A 35 3.507 -1.278 4.870 1.00 0.00 C ATOM 465 O VAL A 35 4.466 -1.791 4.296 1.00 0.00 O ATOM 466 CB VAL A 35 1.033 -1.305 4.247 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.481 -0.812 2.870 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.197 -2.209 4.133 1.00 0.00 C ATOM 0 H VAL A 35 0.937 -1.809 6.651 1.00 0.00 H new ATOM 0 HA VAL A 35 2.300 -2.985 4.478 1.00 0.00 H new ATOM 0 HB VAL A 35 0.755 -0.434 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.651 -0.307 2.377 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.312 -0.116 2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.800 -1.661 2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.993 -1.676 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.063 -3.108 3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.537 -2.488 5.130 1.00 0.00 H new ATOM 478 N CYS A 36 3.525 -0.079 5.435 1.00 0.00 N ATOM 479 CA CYS A 36 4.724 0.740 5.415 1.00 0.00 C ATOM 480 C CYS A 36 5.922 -0.154 5.741 1.00 0.00 C ATOM 481 O CYS A 36 6.918 -0.151 5.019 1.00 0.00 O ATOM 482 CB CYS A 36 4.617 1.924 6.377 1.00 0.00 C ATOM 483 SG CYS A 36 6.243 2.749 6.539 1.00 0.00 S ATOM 0 H CYS A 36 2.727 0.344 5.909 1.00 0.00 H new ATOM 0 HA CYS A 36 4.854 1.173 4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.875 2.634 6.012 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.276 1.580 7.353 1.00 0.00 H new ATOM 0 HG CYS A 36 6.571 3.289 5.403 1.00 0.00 H new ATOM 489 N GLU A 37 5.786 -0.897 6.829 1.00 0.00 N ATOM 490 CA GLU A 37 6.845 -1.794 7.260 1.00 0.00 C ATOM 491 C GLU A 37 7.071 -2.889 6.215 1.00 0.00 C ATOM 492 O GLU A 37 8.211 -3.224 5.898 1.00 0.00 O ATOM 493 CB GLU A 37 6.528 -2.399 8.629 1.00 0.00 C ATOM 494 CG GLU A 37 6.851 -1.412 9.753 1.00 0.00 C ATOM 495 CD GLU A 37 8.219 -1.710 10.369 1.00 0.00 C ATOM 496 OE1 GLU A 37 9.165 -1.916 9.578 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.288 -1.726 11.617 1.00 0.00 O ATOM 0 H GLU A 37 4.958 -0.896 7.425 1.00 0.00 H new ATOM 0 HA GLU A 37 7.765 -1.218 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.474 -2.674 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.103 -3.315 8.768 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.838 -0.394 9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.082 -1.468 10.523 1.00 0.00 H new ATOM 504 N MET A 38 5.966 -3.417 5.710 1.00 0.00 N ATOM 505 CA MET A 38 6.029 -4.468 4.708 1.00 0.00 C ATOM 506 C MET A 38 6.618 -3.941 3.398 1.00 0.00 C ATOM 507 O MET A 38 7.085 -4.718 2.567 1.00 0.00 O ATOM 508 CB MET A 38 4.623 -5.014 4.452 1.00 0.00 C ATOM 509 CG MET A 38 4.071 -5.713 5.697 1.00 0.00 C ATOM 510 SD MET A 38 3.837 -7.451 5.368 1.00 0.00 S ATOM 511 CE MET A 38 2.737 -7.356 3.965 1.00 0.00 C ATOM 0 H MET A 38 5.022 -3.137 5.976 1.00 0.00 H new ATOM 0 HA MET A 38 6.675 -5.263 5.082 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.959 -4.199 4.164 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.648 -5.715 3.618 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.759 -5.582 6.533 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.124 -5.259 5.989 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.984 -8.141 4.039 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.246 -6.383 3.953 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.308 -7.486 3.046 1.00 0.00 H new ATOM 521 N LEU A 39 6.578 -2.625 3.255 1.00 0.00 N ATOM 522 CA LEU A 39 7.102 -1.985 2.060 1.00 0.00 C ATOM 523 C LEU A 39 8.569 -1.613 2.288 1.00 0.00 C ATOM 524 O LEU A 39 9.446 -2.046 1.543 1.00 0.00 O ATOM 525 CB LEU A 39 6.223 -0.800 1.657 1.00 0.00 C ATOM 526 CG LEU A 39 4.776 -1.135 1.285 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.946 0.139 1.114 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.721 -2.026 0.043 1.00 0.00 C ATOM 0 H LEU A 39 6.191 -1.984 3.947 1.00 0.00 H new ATOM 0 HA LEU A 39 7.074 -2.674 1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.210 -0.086 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.689 -0.299 0.808 1.00 0.00 H new ATOM 0 HG LEU A 39 4.334 -1.700 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.922 -0.126 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.946 0.701 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.378 0.751 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.682 -2.249 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.187 -1.509 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.255 -2.956 0.238 1.00 0.00 H new ATOM 540 N VAL A 40 8.789 -0.814 3.322 1.00 0.00 N ATOM 541 CA VAL A 40 10.134 -0.378 3.657 1.00 0.00 C ATOM 542 C VAL A 40 11.060 -1.595 3.719 1.00 0.00 C ATOM 543 O VAL A 40 12.168 -1.565 3.186 1.00 0.00 O ATOM 544 CB VAL A 40 10.115 0.424 4.960 1.00 0.00 C ATOM 545 CG1 VAL A 40 9.490 1.804 4.745 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.386 -0.342 6.065 1.00 0.00 C ATOM 0 H VAL A 40 8.059 -0.457 3.938 1.00 0.00 H new ATOM 0 HA VAL A 40 10.522 0.288 2.886 1.00 0.00 H new ATOM 0 HB VAL A 40 11.147 0.570 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.489 2.353 5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.070 2.355 4.004 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.466 1.688 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.387 0.250 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.358 -0.533 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.893 -1.290 6.246 1.00 0.00 H new ATOM 556 N GLN A 41 10.570 -2.638 4.373 1.00 0.00 N ATOM 557 CA GLN A 41 11.339 -3.863 4.511 1.00 0.00 C ATOM 558 C GLN A 41 12.602 -3.607 5.337 1.00 0.00 C ATOM 559 O GLN A 41 13.646 -3.259 4.789 1.00 0.00 O ATOM 560 CB GLN A 41 11.690 -4.448 3.142 1.00 0.00 C ATOM 561 CG GLN A 41 10.449 -5.030 2.461 1.00 0.00 C ATOM 562 CD GLN A 41 10.840 -5.937 1.292 1.00 0.00 C ATOM 563 OE1 GLN A 41 10.897 -7.151 1.407 1.00 0.00 O ATOM 564 NE2 GLN A 41 11.106 -5.283 0.165 1.00 0.00 N ATOM 0 H GLN A 41 9.650 -2.660 4.813 1.00 0.00 H new ATOM 0 HA GLN A 41 10.726 -4.595 5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.125 -3.673 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.445 -5.226 3.257 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.864 -5.596 3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.814 -4.221 2.101 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.039 -4.266 0.138 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.377 -5.799 -0.672 1.00 0.00 H new ATOM 573 N ARG A 42 12.463 -3.790 6.642 1.00 0.00 N ATOM 574 CA ARG A 42 13.580 -3.583 7.549 1.00 0.00 C ATOM 575 C ARG A 42 13.190 -3.989 8.972 1.00 0.00 C ATOM 576 O ARG A 42 12.007 -4.028 9.308 1.00 0.00 O ATOM 577 CB ARG A 42 14.027 -2.120 7.548 1.00 0.00 C ATOM 578 CG ARG A 42 15.542 -2.009 7.723 1.00 0.00 C ATOM 579 CD ARG A 42 16.128 -0.955 6.781 1.00 0.00 C ATOM 580 NE ARG A 42 17.188 -0.189 7.475 1.00 0.00 N ATOM 581 CZ ARG A 42 18.354 -0.714 7.875 1.00 0.00 C ATOM 582 NH1 ARG A 42 18.617 -2.009 7.653 1.00 0.00 N ATOM 583 NH2 ARG A 42 19.257 0.056 8.497 1.00 0.00 N ATOM 0 H ARG A 42 11.595 -4.079 7.093 1.00 0.00 H new ATOM 0 HA ARG A 42 14.407 -4.204 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.730 -1.646 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.524 -1.582 8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.774 -1.748 8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.006 -2.976 7.526 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.538 -1.436 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.342 -0.280 6.443 1.00 0.00 H new ATOM 0 HE ARG A 42 17.020 0.800 7.660 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.930 -2.595 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.505 -2.409 7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 42 19.057 1.042 8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 42 20.145 -0.344 8.802 1.00 0.00 H new ATOM 597 N ALA A 43 14.207 -4.281 9.770 1.00 0.00 N ATOM 598 CA ALA A 43 13.985 -4.683 11.148 1.00 0.00 C ATOM 599 C ALA A 43 14.240 -3.488 12.070 1.00 0.00 C ATOM 600 O ALA A 43 13.334 -3.030 12.763 1.00 0.00 O ATOM 601 CB ALA A 43 14.880 -5.878 11.482 1.00 0.00 C ATOM 0 H ALA A 43 15.187 -4.247 9.488 1.00 0.00 H new ATOM 0 HA ALA A 43 12.952 -4.999 11.294 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.713 -6.180 12.516 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.640 -6.709 10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.925 -5.598 11.350 1.00 0.00 H new ATOM 607 N HIS A 44 15.479 -3.019 12.048 1.00 0.00 N ATOM 608 CA HIS A 44 15.865 -1.887 12.873 1.00 0.00 C ATOM 609 C HIS A 44 15.769 -0.598 12.054 1.00 0.00 C ATOM 610 O HIS A 44 16.764 -0.134 11.500 1.00 0.00 O ATOM 611 CB HIS A 44 17.254 -2.103 13.477 1.00 0.00 C ATOM 612 CG HIS A 44 17.376 -3.362 14.301 1.00 0.00 C ATOM 613 ND1 HIS A 44 17.116 -4.663 13.984 1.00 0.00 N flip ATOM 614 CD2 HIS A 44 17.810 -3.359 15.615 1.00 0.00 C flip ATOM 615 CE1 HIS A 44 17.378 -5.414 15.047 1.00 0.00 C flip ATOM 616 NE2 HIS A 44 17.808 -4.607 16.059 1.00 0.00 N flip ATOM 0 H HIS A 44 16.228 -3.402 11.472 1.00 0.00 H new ATOM 0 HA HIS A 44 15.177 -1.795 13.714 1.00 0.00 H new ATOM 0 HB2 HIS A 44 17.988 -2.135 12.672 1.00 0.00 H new ATOM 0 HB3 HIS A 44 17.504 -1.246 14.102 1.00 0.00 H new ATOM 0 HD2 HIS A 44 18.101 -2.487 16.182 1.00 0.00 H new ATOM 0 HE1 HIS A 44 17.269 -6.487 15.101 1.00 0.00 H new ATOM 0 HE2 HIS A 44 18.080 -4.911 16.994 1.00 0.00 H new ATOM 624 N ALA A 45 14.560 -0.056 12.003 1.00 0.00 N ATOM 625 CA ALA A 45 14.321 1.170 11.260 1.00 0.00 C ATOM 626 C ALA A 45 13.236 1.985 11.966 1.00 0.00 C ATOM 627 O ALA A 45 12.108 2.074 11.483 1.00 0.00 O ATOM 628 CB ALA A 45 13.947 0.828 9.817 1.00 0.00 C ATOM 0 H ALA A 45 13.737 -0.443 12.464 1.00 0.00 H new ATOM 0 HA ALA A 45 15.223 1.781 11.227 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.768 1.748 9.260 1.00 0.00 H new ATOM 0 HB2 ALA A 45 14.762 0.275 9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.044 0.218 9.810 1.00 0.00 H new ATOM 634 N LEU A 46 13.614 2.558 13.099 1.00 0.00 N ATOM 635 CA LEU A 46 12.687 3.363 13.877 1.00 0.00 C ATOM 636 C LEU A 46 13.458 4.475 14.590 1.00 0.00 C ATOM 637 O LEU A 46 13.464 4.542 15.818 1.00 0.00 O ATOM 638 CB LEU A 46 11.870 2.478 14.820 1.00 0.00 C ATOM 639 CG LEU A 46 10.383 2.337 14.488 1.00 0.00 C ATOM 640 CD1 LEU A 46 9.920 0.888 14.654 1.00 0.00 C ATOM 641 CD2 LEU A 46 9.542 3.306 15.321 1.00 0.00 C ATOM 0 H LEU A 46 14.550 2.481 13.497 1.00 0.00 H new ATOM 0 HA LEU A 46 11.961 3.847 13.223 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.316 1.483 14.830 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.960 2.877 15.830 1.00 0.00 H new ATOM 0 HG LEU A 46 10.239 2.603 13.441 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.860 0.815 14.412 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.490 0.245 13.984 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.080 0.571 15.685 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.489 3.186 15.066 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.685 3.094 16.381 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.852 4.330 15.111 1.00 0.00 H new ATOM 653 N SER A 47 14.090 5.321 13.790 1.00 0.00 N ATOM 654 CA SER A 47 14.862 6.427 14.329 1.00 0.00 C ATOM 655 C SER A 47 15.490 7.233 13.190 1.00 0.00 C ATOM 656 O SER A 47 16.712 7.336 13.097 1.00 0.00 O ATOM 657 CB SER A 47 15.947 5.926 15.285 1.00 0.00 C ATOM 658 OG SER A 47 16.845 5.022 14.647 1.00 0.00 O ATOM 0 H SER A 47 14.083 5.262 12.772 1.00 0.00 H new ATOM 0 HA SER A 47 14.187 7.072 14.892 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.506 6.776 15.677 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.480 5.432 16.137 1.00 0.00 H new ATOM 0 HG SER A 47 17.300 5.479 13.909 1.00 0.00 H new ATOM 664 N ASP A 48 14.624 7.783 12.351 1.00 0.00 N ATOM 665 CA ASP A 48 15.078 8.577 11.222 1.00 0.00 C ATOM 666 C ASP A 48 13.890 8.878 10.306 1.00 0.00 C ATOM 667 O ASP A 48 13.740 10.001 9.827 1.00 0.00 O ATOM 668 CB ASP A 48 16.126 7.820 10.403 1.00 0.00 C ATOM 669 CG ASP A 48 17.411 8.601 10.119 1.00 0.00 C ATOM 670 OD1 ASP A 48 17.425 9.808 10.440 1.00 0.00 O ATOM 671 OD2 ASP A 48 18.351 7.972 9.586 1.00 0.00 O ATOM 0 H ASP A 48 13.611 7.694 12.431 1.00 0.00 H new ATOM 0 HA ASP A 48 15.518 9.496 11.610 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.385 6.903 10.931 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.680 7.525 9.453 1.00 0.00 H new ATOM 676 N GLU A 49 13.076 7.855 10.089 1.00 0.00 N ATOM 677 CA GLU A 49 11.906 7.997 9.239 1.00 0.00 C ATOM 678 C GLU A 49 10.746 7.165 9.790 1.00 0.00 C ATOM 679 O GLU A 49 10.964 6.162 10.467 1.00 0.00 O ATOM 680 CB GLU A 49 12.227 7.603 7.796 1.00 0.00 C ATOM 681 CG GLU A 49 12.527 6.107 7.690 1.00 0.00 C ATOM 682 CD GLU A 49 13.864 5.864 6.985 1.00 0.00 C ATOM 683 OE1 GLU A 49 13.932 6.173 5.776 1.00 0.00 O ATOM 684 OE2 GLU A 49 14.787 5.376 7.672 1.00 0.00 O ATOM 0 H GLU A 49 13.204 6.925 10.487 1.00 0.00 H new ATOM 0 HA GLU A 49 11.607 9.045 9.237 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.386 7.855 7.151 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.084 8.175 7.441 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.552 5.666 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.727 5.610 7.141 1.00 0.00 H new ATOM 691 N THR A 50 9.539 7.614 9.479 1.00 0.00 N ATOM 692 CA THR A 50 8.344 6.923 9.935 1.00 0.00 C ATOM 693 C THR A 50 7.535 6.413 8.741 1.00 0.00 C ATOM 694 O THR A 50 7.120 5.256 8.717 1.00 0.00 O ATOM 695 CB THR A 50 7.560 7.879 10.836 1.00 0.00 C ATOM 696 OG1 THR A 50 7.056 8.866 9.940 1.00 0.00 O ATOM 697 CG2 THR A 50 8.467 8.666 11.784 1.00 0.00 C ATOM 0 H THR A 50 9.362 8.447 8.917 1.00 0.00 H new ATOM 0 HA THR A 50 8.597 6.038 10.518 1.00 0.00 H new ATOM 0 HB THR A 50 6.831 7.314 11.416 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.533 9.526 10.441 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.861 9.329 12.401 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.013 7.973 12.424 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.175 9.257 11.203 1.00 0.00 H new ATOM 705 N TRP A 51 7.335 7.303 7.779 1.00 0.00 N ATOM 706 CA TRP A 51 6.584 6.957 6.585 1.00 0.00 C ATOM 707 C TRP A 51 5.161 6.589 7.011 1.00 0.00 C ATOM 708 O TRP A 51 4.853 6.567 8.202 1.00 0.00 O ATOM 709 CB TRP A 51 7.280 5.842 5.802 1.00 0.00 C ATOM 710 CG TRP A 51 8.571 6.281 5.109 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.755 6.562 5.670 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.762 6.479 3.692 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.691 6.925 4.724 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.068 6.873 3.482 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.861 6.330 2.623 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.590 7.151 2.213 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.399 6.611 1.361 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.711 7.009 1.133 1.00 0.00 C ATOM 0 H TRP A 51 7.680 8.263 7.803 1.00 0.00 H new ATOM 0 HA TRP A 51 6.535 7.805 5.902 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.506 5.021 6.482 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.591 5.454 5.052 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.952 6.511 6.731 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.661 7.184 4.903 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.835 6.023 2.764 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.616 7.459 2.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.749 6.511 0.505 1.00 0.00 H new ATOM 0 HH2 TRP A 51 10.051 7.208 0.127 1.00 0.00 H new ATOM 729 N GLY A 52 4.332 6.310 6.016 1.00 0.00 N ATOM 730 CA GLY A 52 2.950 5.945 6.274 1.00 0.00 C ATOM 731 C GLY A 52 2.223 5.598 4.973 1.00 0.00 C ATOM 732 O GLY A 52 2.832 5.087 4.034 1.00 0.00 O ATOM 0 H GLY A 52 4.591 6.329 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.916 5.093 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.439 6.769 6.772 1.00 0.00 H new ATOM 736 N LEU A 53 0.930 5.890 4.958 1.00 0.00 N ATOM 737 CA LEU A 53 0.114 5.616 3.788 1.00 0.00 C ATOM 738 C LEU A 53 -0.731 6.849 3.461 1.00 0.00 C ATOM 739 O LEU A 53 -1.089 7.615 4.354 1.00 0.00 O ATOM 740 CB LEU A 53 -0.709 4.343 3.996 1.00 0.00 C ATOM 741 CG LEU A 53 -0.153 3.072 3.352 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.159 1.923 3.447 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.284 3.333 1.910 1.00 0.00 C ATOM 0 H LEU A 53 0.428 6.314 5.738 1.00 0.00 H new ATOM 0 HA LEU A 53 0.744 5.422 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.809 4.170 5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.712 4.515 3.606 1.00 0.00 H new ATOM 0 HG LEU A 53 0.735 2.769 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.738 1.032 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.378 1.716 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.079 2.201 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.675 2.413 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.571 3.674 1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.060 4.098 1.898 1.00 0.00 H new ATOM 755 N VAL A 54 -1.026 7.001 2.178 1.00 0.00 N ATOM 756 CA VAL A 54 -1.822 8.128 1.722 1.00 0.00 C ATOM 757 C VAL A 54 -2.849 7.639 0.698 1.00 0.00 C ATOM 758 O VAL A 54 -2.485 7.204 -0.393 1.00 0.00 O ATOM 759 CB VAL A 54 -0.908 9.226 1.174 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.725 10.340 0.516 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.004 9.786 2.274 1.00 0.00 C ATOM 0 H VAL A 54 -0.728 6.363 1.440 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.374 8.568 2.553 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.270 8.782 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.052 11.108 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.307 9.926 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.398 10.780 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.635 10.565 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.618 10.207 3.070 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.615 8.985 2.679 1.00 0.00 H new ATOM 771 N GLU A 55 -4.113 7.728 1.087 1.00 0.00 N ATOM 772 CA GLU A 55 -5.195 7.300 0.217 1.00 0.00 C ATOM 773 C GLU A 55 -5.404 8.316 -0.908 1.00 0.00 C ATOM 774 O GLU A 55 -5.614 9.500 -0.650 1.00 0.00 O ATOM 775 CB GLU A 55 -6.486 7.089 1.012 1.00 0.00 C ATOM 776 CG GLU A 55 -7.085 8.427 1.449 1.00 0.00 C ATOM 777 CD GLU A 55 -7.768 8.302 2.813 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.024 8.214 3.814 1.00 0.00 O ATOM 779 OE2 GLU A 55 -9.017 8.297 2.824 1.00 0.00 O ATOM 0 H GLU A 55 -4.411 8.090 1.993 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.921 6.344 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.208 6.545 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.281 6.474 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.300 9.182 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.807 8.766 0.706 1.00 0.00 H new ATOM 786 N CYS A 56 -5.339 7.815 -2.133 1.00 0.00 N ATOM 787 CA CYS A 56 -5.518 8.663 -3.299 1.00 0.00 C ATOM 788 C CYS A 56 -6.909 8.396 -3.878 1.00 0.00 C ATOM 789 O CYS A 56 -7.381 7.260 -3.870 1.00 0.00 O ATOM 790 CB CYS A 56 -4.415 8.440 -4.336 1.00 0.00 C ATOM 791 SG CYS A 56 -3.177 9.782 -4.231 1.00 0.00 S ATOM 0 H CYS A 56 -5.165 6.832 -2.343 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.443 9.710 -3.005 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.934 7.477 -4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.846 8.409 -5.337 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.244 9.582 -5.114 1.00 0.00 H new ATOM 797 N HIS A 57 -7.526 9.461 -4.368 1.00 0.00 N ATOM 798 CA HIS A 57 -8.853 9.356 -4.950 1.00 0.00 C ATOM 799 C HIS A 57 -8.780 9.649 -6.450 1.00 0.00 C ATOM 800 O HIS A 57 -8.845 10.806 -6.864 1.00 0.00 O ATOM 801 CB HIS A 57 -9.842 10.263 -4.216 1.00 0.00 C ATOM 802 CG HIS A 57 -10.138 9.830 -2.800 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.373 8.510 -2.454 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.233 10.553 -1.648 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.600 8.455 -1.149 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.514 9.722 -0.652 1.00 0.00 N ATOM 0 H HIS A 57 -7.131 10.401 -4.374 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.226 8.339 -4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.445 11.278 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.775 10.295 -4.778 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.102 11.621 -1.561 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.815 7.563 -0.579 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.644 9.987 0.324 1.00 0.00 H new ATOM 814 N PRO A 58 -8.642 8.554 -7.244 1.00 0.00 N ATOM 815 CA PRO A 58 -8.560 8.683 -8.689 1.00 0.00 C ATOM 816 C PRO A 58 -9.932 8.989 -9.291 1.00 0.00 C ATOM 817 O PRO A 58 -10.407 8.265 -10.165 1.00 0.00 O ATOM 818 CB PRO A 58 -7.982 7.361 -9.169 1.00 0.00 C ATOM 819 CG PRO A 58 -8.196 6.375 -8.033 1.00 0.00 C ATOM 820 CD PRO A 58 -8.561 7.169 -6.789 1.00 0.00 C ATOM 0 HA PRO A 58 -7.930 9.516 -9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.481 7.024 -10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.923 7.461 -9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.990 5.671 -8.283 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.293 5.789 -7.861 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.510 6.834 -6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.808 7.052 -6.009 1.00 0.00 H new ATOM 828 N HIS A 59 -10.531 10.065 -8.801 1.00 0.00 N ATOM 829 CA HIS A 59 -11.840 10.476 -9.280 1.00 0.00 C ATOM 830 C HIS A 59 -12.143 11.894 -8.790 1.00 0.00 C ATOM 831 O HIS A 59 -12.661 12.717 -9.543 1.00 0.00 O ATOM 832 CB HIS A 59 -12.912 9.465 -8.869 1.00 0.00 C ATOM 833 CG HIS A 59 -12.888 9.107 -7.402 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.741 8.688 -6.751 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.882 9.111 -6.467 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.042 8.452 -5.482 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.370 8.714 -5.309 1.00 0.00 N ATOM 0 H HIS A 59 -10.134 10.664 -8.077 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.842 10.496 -10.370 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.893 9.870 -9.118 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.784 8.556 -9.457 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.911 9.390 -6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.357 8.112 -4.719 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.885 8.620 -4.433 1.00 0.00 H new ATOM 845 N LEU A 60 -11.808 12.135 -7.531 1.00 0.00 N ATOM 846 CA LEU A 60 -12.038 13.438 -6.932 1.00 0.00 C ATOM 847 C LEU A 60 -10.718 14.210 -6.879 1.00 0.00 C ATOM 848 O LEU A 60 -10.687 15.366 -6.458 1.00 0.00 O ATOM 849 CB LEU A 60 -12.718 13.289 -5.570 1.00 0.00 C ATOM 850 CG LEU A 60 -13.550 12.020 -5.371 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.233 12.022 -4.002 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.552 11.837 -6.512 1.00 0.00 C ATOM 0 H LEU A 60 -11.379 11.450 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.726 14.022 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.950 13.321 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.365 14.152 -5.413 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.877 11.163 -5.394 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.818 11.110 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.477 12.071 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.891 12.887 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.130 10.928 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.225 12.694 -6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.016 11.758 -7.458 1.00 0.00 H new ATOM 864 N ALA A 61 -9.659 13.540 -7.311 1.00 0.00 N ATOM 865 CA ALA A 61 -8.340 14.149 -7.317 1.00 0.00 C ATOM 866 C ALA A 61 -8.019 14.676 -5.917 1.00 0.00 C ATOM 867 O ALA A 61 -7.565 15.809 -5.765 1.00 0.00 O ATOM 868 CB ALA A 61 -8.290 15.249 -8.380 1.00 0.00 C ATOM 0 H ALA A 61 -9.688 12.582 -7.659 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.579 13.412 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.300 15.706 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.495 14.818 -9.360 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.039 16.008 -8.154 1.00 0.00 H new ATOM 874 N LEU A 62 -8.268 13.828 -4.929 1.00 0.00 N ATOM 875 CA LEU A 62 -8.011 14.194 -3.547 1.00 0.00 C ATOM 876 C LEU A 62 -6.874 13.330 -2.998 1.00 0.00 C ATOM 877 O LEU A 62 -6.551 12.289 -3.567 1.00 0.00 O ATOM 878 CB LEU A 62 -9.298 14.114 -2.723 1.00 0.00 C ATOM 879 CG LEU A 62 -9.728 15.404 -2.023 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.137 16.471 -3.042 1.00 0.00 C ATOM 881 CD2 LEU A 62 -10.836 15.132 -1.003 1.00 0.00 C ATOM 0 H LEU A 62 -8.645 12.889 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.683 15.231 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.107 13.794 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.174 13.338 -1.968 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.872 15.795 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.438 17.378 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.293 16.693 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.971 16.103 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.123 16.066 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.701 14.705 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.474 14.431 -0.251 1.00 0.00 H new ATOM 893 N GLU A 63 -6.299 13.794 -1.898 1.00 0.00 N ATOM 894 CA GLU A 63 -5.205 13.076 -1.265 1.00 0.00 C ATOM 895 C GLU A 63 -5.295 13.206 0.256 1.00 0.00 C ATOM 896 O GLU A 63 -5.048 14.277 0.807 1.00 0.00 O ATOM 897 CB GLU A 63 -3.853 13.575 -1.779 1.00 0.00 C ATOM 898 CG GLU A 63 -3.662 13.219 -3.255 1.00 0.00 C ATOM 899 CD GLU A 63 -3.894 14.440 -4.148 1.00 0.00 C ATOM 900 OE1 GLU A 63 -5.055 14.901 -4.189 1.00 0.00 O ATOM 901 OE2 GLU A 63 -2.904 14.885 -4.769 1.00 0.00 O ATOM 0 H GLU A 63 -6.570 14.658 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.289 12.021 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.787 14.655 -1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.050 13.134 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.654 12.835 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.353 12.424 -3.533 1.00 0.00 H new ATOM 908 N ARG A 64 -5.649 12.099 0.892 1.00 0.00 N ATOM 909 CA ARG A 64 -5.775 12.075 2.340 1.00 0.00 C ATOM 910 C ARG A 64 -4.751 11.113 2.946 1.00 0.00 C ATOM 911 O ARG A 64 -4.477 10.055 2.380 1.00 0.00 O ATOM 912 CB ARG A 64 -7.181 11.646 2.764 1.00 0.00 C ATOM 913 CG ARG A 64 -7.325 11.668 4.287 1.00 0.00 C ATOM 914 CD ARG A 64 -8.596 10.940 4.728 1.00 0.00 C ATOM 915 NE ARG A 64 -9.752 11.864 4.681 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.093 12.690 5.679 1.00 0.00 C ATOM 917 NH1 ARG A 64 -9.370 12.713 6.807 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.158 13.494 5.549 1.00 0.00 N ATOM 0 H ARG A 64 -5.853 11.212 0.431 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.590 13.085 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.919 12.311 2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.387 10.643 2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.455 11.198 4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.352 12.699 4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.778 10.084 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.471 10.553 5.739 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.324 11.872 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.560 12.101 6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.630 13.342 7.567 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.708 13.477 4.690 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.418 14.123 6.309 1.00 0.00 H new ATOM 932 N GLY A 65 -4.213 11.514 4.088 1.00 0.00 N ATOM 933 CA GLY A 65 -3.226 10.701 4.777 1.00 0.00 C ATOM 934 C GLY A 65 -3.822 10.059 6.031 1.00 0.00 C ATOM 935 O GLY A 65 -4.518 10.720 6.800 1.00 0.00 O ATOM 0 H GLY A 65 -4.442 12.392 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.858 9.924 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.370 11.317 5.052 1.00 0.00 H new ATOM 939 N LEU A 66 -3.528 8.778 6.198 1.00 0.00 N ATOM 940 CA LEU A 66 -4.027 8.039 7.346 1.00 0.00 C ATOM 941 C LEU A 66 -2.849 7.615 8.225 1.00 0.00 C ATOM 942 O LEU A 66 -1.742 7.408 7.729 1.00 0.00 O ATOM 943 CB LEU A 66 -4.906 6.873 6.891 1.00 0.00 C ATOM 944 CG LEU A 66 -4.237 5.845 5.976 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.791 4.442 6.230 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.364 6.255 4.507 1.00 0.00 C ATOM 0 H LEU A 66 -2.951 8.233 5.558 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.669 8.673 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.276 6.356 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.775 7.279 6.373 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.173 5.818 6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.299 3.731 5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.606 4.160 7.266 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.864 4.434 6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.880 5.508 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.418 6.328 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.884 7.222 4.356 1.00 0.00 H new ATOM 958 N GLU A 67 -3.126 7.498 9.515 1.00 0.00 N ATOM 959 CA GLU A 67 -2.103 7.103 10.468 1.00 0.00 C ATOM 960 C GLU A 67 -1.807 5.607 10.339 1.00 0.00 C ATOM 961 O GLU A 67 -2.364 4.933 9.473 1.00 0.00 O ATOM 962 CB GLU A 67 -2.518 7.458 11.897 1.00 0.00 C ATOM 963 CG GLU A 67 -2.016 8.851 12.283 1.00 0.00 C ATOM 964 CD GLU A 67 -0.679 8.767 13.022 1.00 0.00 C ATOM 965 OE1 GLU A 67 -0.703 8.316 14.188 1.00 0.00 O ATOM 966 OE2 GLU A 67 0.336 9.157 12.405 1.00 0.00 O ATOM 0 H GLU A 67 -4.045 7.670 9.923 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.191 7.655 10.242 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.604 7.422 11.984 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.118 6.718 12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.903 9.462 11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.754 9.345 12.915 1.00 0.00 H new ATOM 973 N ASP A 68 -0.932 5.132 11.212 1.00 0.00 N ATOM 974 CA ASP A 68 -0.556 3.728 11.207 1.00 0.00 C ATOM 975 C ASP A 68 -1.709 2.894 11.768 1.00 0.00 C ATOM 976 O ASP A 68 -2.190 1.972 11.110 1.00 0.00 O ATOM 977 CB ASP A 68 0.675 3.484 12.083 1.00 0.00 C ATOM 978 CG ASP A 68 0.782 4.388 13.313 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.217 5.546 13.130 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.427 3.901 14.408 1.00 0.00 O ATOM 0 H ASP A 68 -0.472 5.694 11.928 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.329 3.443 10.180 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.667 2.445 12.414 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.569 3.618 11.473 1.00 0.00 H new ATOM 985 N HIS A 69 -2.118 3.246 12.978 1.00 0.00 N ATOM 986 CA HIS A 69 -3.205 2.541 13.635 1.00 0.00 C ATOM 987 C HIS A 69 -4.348 2.321 12.642 1.00 0.00 C ATOM 988 O HIS A 69 -5.031 1.298 12.691 1.00 0.00 O ATOM 989 CB HIS A 69 -3.650 3.283 14.897 1.00 0.00 C ATOM 990 CG HIS A 69 -4.251 4.642 14.630 1.00 0.00 C ATOM 991 ND1 HIS A 69 -5.446 4.996 14.076 1.00 0.00 N flip ATOM 992 CD2 HIS A 69 -3.601 5.823 14.942 1.00 0.00 C flip ATOM 993 CE1 HIS A 69 -5.523 6.321 14.054 1.00 0.00 C flip ATOM 994 NE2 HIS A 69 -4.379 6.836 14.590 1.00 0.00 N flip ATOM 0 H HIS A 69 -1.716 4.010 13.521 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.861 1.560 13.963 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.380 2.672 15.427 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.792 3.400 15.559 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.624 5.905 15.396 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.354 6.897 13.674 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.161 7.826 14.700 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.523 3.297 11.764 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.571 3.224 10.761 1.00 0.00 C ATOM 1004 C GLU A 70 -5.437 1.935 9.946 1.00 0.00 C ATOM 1005 O GLU A 70 -4.386 1.671 9.364 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.547 4.453 9.850 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.024 5.699 10.598 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.552 5.741 10.675 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.140 4.657 10.880 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.097 6.856 10.526 1.00 0.00 O ATOM 0 H GLU A 70 -3.956 4.144 11.726 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.534 3.211 11.272 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.536 4.614 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.183 4.279 8.982 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.605 5.706 11.604 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.657 6.593 10.094 1.00 0.00 H new ATOM 1017 N SER A 71 -6.517 1.168 9.931 1.00 0.00 N ATOM 1018 CA SER A 71 -6.533 -0.087 9.198 1.00 0.00 C ATOM 1019 C SER A 71 -6.782 0.179 7.712 1.00 0.00 C ATOM 1020 O SER A 71 -7.840 0.681 7.336 1.00 0.00 O ATOM 1021 CB SER A 71 -7.598 -1.035 9.753 1.00 0.00 C ATOM 1022 OG SER A 71 -7.049 -2.299 10.118 1.00 0.00 O ATOM 0 H SER A 71 -7.387 1.391 10.414 1.00 0.00 H new ATOM 0 HA SER A 71 -5.561 -0.566 9.317 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.071 -0.580 10.623 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.379 -1.181 9.006 1.00 0.00 H new ATOM 0 HG SER A 71 -7.760 -2.875 10.469 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.789 -0.170 6.907 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.887 0.024 5.470 1.00 0.00 C ATOM 1030 C VAL A 72 -7.211 -0.557 4.970 1.00 0.00 C ATOM 1031 O VAL A 72 -7.884 0.050 4.139 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.666 -0.583 4.776 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.492 0.397 4.774 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.271 -1.911 5.425 1.00 0.00 C ATOM 0 H VAL A 72 -4.913 -0.586 7.222 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.887 1.087 5.227 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.936 -0.784 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.638 -0.060 4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.778 1.306 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.223 0.644 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.401 -2.321 4.913 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.030 -1.745 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.101 -2.614 5.350 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.544 -1.726 5.497 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.775 -2.396 5.115 1.00 0.00 C ATOM 1046 C VAL A 73 -9.970 -1.559 5.574 1.00 0.00 C ATOM 1047 O VAL A 73 -10.738 -1.063 4.751 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.792 -3.820 5.675 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.079 -4.548 5.284 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.559 -4.603 5.219 1.00 0.00 C ATOM 0 H VAL A 73 -6.982 -2.226 6.186 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.839 -2.487 4.031 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.763 -3.752 6.763 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.065 -5.558 5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.938 -4.007 5.680 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.152 -4.599 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.596 -5.612 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.544 -4.656 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.658 -4.100 5.571 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.090 -1.427 6.887 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.179 -0.658 7.465 1.00 0.00 C ATOM 1062 C GLU A 74 -11.322 0.684 6.746 1.00 0.00 C ATOM 1063 O GLU A 74 -12.435 1.160 6.527 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.970 -0.456 8.967 1.00 0.00 C ATOM 1065 CG GLU A 74 -11.064 -1.786 9.718 1.00 0.00 C ATOM 1066 CD GLU A 74 -12.131 -1.723 10.812 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -13.287 -1.401 10.461 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.768 -2.000 11.976 1.00 0.00 O ATOM 0 H GLU A 74 -9.451 -1.840 7.567 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.104 -1.219 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.995 -0.002 9.144 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.718 0.237 9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.302 -2.587 9.018 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.098 -2.027 10.161 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.179 1.257 6.398 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.162 2.536 5.708 1.00 0.00 C ATOM 1077 C VAL A 75 -10.482 2.316 4.228 1.00 0.00 C ATOM 1078 O VAL A 75 -11.083 3.175 3.584 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.819 3.234 5.932 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.763 4.567 5.183 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.546 3.432 7.424 1.00 0.00 C ATOM 0 H VAL A 75 -9.258 0.859 6.581 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.928 3.198 6.112 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.036 2.591 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.798 5.043 5.359 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.891 4.390 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.560 5.219 5.541 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.585 3.930 7.555 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.335 4.045 7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.523 2.462 7.921 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.066 1.160 3.731 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.301 0.816 2.339 1.00 0.00 C ATOM 1093 C GLN A 76 -11.775 0.470 2.119 1.00 0.00 C ATOM 1094 O GLN A 76 -12.318 0.711 1.042 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.395 -0.336 1.898 1.00 0.00 C ATOM 1096 CG GLN A 76 -10.037 -1.133 0.761 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.970 -1.745 -0.149 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.807 -1.369 -1.298 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.255 -2.708 0.427 1.00 0.00 N ATOM 0 H GLN A 76 -9.568 0.450 4.268 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.056 1.682 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.432 0.058 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.200 -0.995 2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.664 -1.923 1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.688 -0.482 0.178 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.443 -2.974 1.393 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.519 -3.180 -0.098 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.380 -0.088 3.156 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.780 -0.470 3.090 1.00 0.00 C ATOM 1110 C ALA A 77 -14.651 0.784 3.194 1.00 0.00 C ATOM 1111 O ALA A 77 -15.729 0.846 2.605 1.00 0.00 O ATOM 1112 CB ALA A 77 -14.086 -1.485 4.193 1.00 0.00 C ATOM 0 H ALA A 77 -11.926 -0.285 4.048 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.002 -0.949 2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.137 -1.771 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.462 -2.369 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.877 -1.039 5.166 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.151 1.753 3.947 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.870 3.001 4.135 1.00 0.00 C ATOM 1120 C ALA A 78 -15.044 3.694 2.782 1.00 0.00 C ATOM 1121 O ALA A 78 -16.065 4.334 2.535 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.121 3.874 5.144 1.00 0.00 C ATOM 0 H ALA A 78 -13.256 1.699 4.434 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.865 2.813 4.540 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.660 4.811 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.049 3.349 6.097 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.119 4.085 4.770 1.00 0.00 H new ATOM 1128 N TRP A 79 -14.031 3.542 1.941 1.00 0.00 N ATOM 1129 CA TRP A 79 -14.060 4.145 0.619 1.00 0.00 C ATOM 1130 C TRP A 79 -15.420 3.838 -0.012 1.00 0.00 C ATOM 1131 O TRP A 79 -16.014 2.796 0.261 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.884 3.659 -0.231 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.518 4.137 0.266 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.255 5.116 1.142 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -10.230 3.613 -0.123 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.898 5.261 1.346 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.255 4.318 0.552 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.901 2.578 -1.016 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.886 4.065 0.405 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.528 2.337 -1.151 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.534 3.038 -0.479 1.00 0.00 C ATOM 0 H TRP A 79 -13.186 3.010 2.149 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.944 5.227 0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.890 2.569 -0.253 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -13.025 3.999 -1.257 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.010 5.716 1.627 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.449 5.936 1.965 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.648 2.014 -1.555 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.141 4.632 0.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.220 1.551 -1.825 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.495 2.792 -0.638 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.885 4.789 -0.865 1.00 0.00 N ATOM 1153 CA PRO A 80 -17.164 4.631 -1.536 1.00 0.00 C ATOM 1154 C PRO A 80 -17.065 3.611 -2.672 1.00 0.00 C ATOM 1155 O PRO A 80 -15.966 3.242 -3.086 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.530 6.025 -2.020 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.236 6.822 -2.012 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.209 6.036 -1.212 1.00 0.00 C ATOM 0 HA PRO A 80 -17.938 4.237 -0.878 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.961 5.990 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.274 6.482 -1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.883 6.986 -3.030 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.396 7.804 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.309 5.849 -1.798 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.901 6.581 -0.320 1.00 0.00 H new ATOM 1166 N VAL A 81 -18.226 3.184 -3.145 1.00 0.00 N ATOM 1167 CA VAL A 81 -18.284 2.214 -4.225 1.00 0.00 C ATOM 1168 C VAL A 81 -18.480 2.947 -5.554 1.00 0.00 C ATOM 1169 O VAL A 81 -19.521 2.810 -6.195 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.378 1.182 -3.944 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -19.522 0.204 -5.112 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.107 0.437 -2.636 1.00 0.00 C ATOM 0 H VAL A 81 -19.135 3.492 -2.800 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.346 1.663 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 81 -20.322 1.716 -3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -20.306 -0.519 -4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -19.784 0.753 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.579 -0.320 -5.266 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.900 -0.290 -2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.149 -0.079 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.079 1.149 -1.811 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.463 3.710 -5.928 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.511 4.465 -7.168 1.00 0.00 C ATOM 1184 C GLY A 82 -16.106 4.868 -7.619 1.00 0.00 C ATOM 1185 O GLY A 82 -15.753 4.701 -8.786 1.00 0.00 O ATOM 0 H GLY A 82 -16.601 3.821 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.988 3.867 -7.944 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.123 5.357 -7.032 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.342 5.391 -6.671 1.00 0.00 N ATOM 1190 CA GLY A 83 -13.983 5.819 -6.956 1.00 0.00 C ATOM 1191 C GLY A 83 -12.978 4.716 -6.617 1.00 0.00 C ATOM 1192 O GLY A 83 -13.005 4.162 -5.520 1.00 0.00 O ATOM 0 H GLY A 83 -15.638 5.528 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.895 6.085 -8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.752 6.716 -6.381 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.115 4.430 -7.581 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.103 3.403 -7.399 1.00 0.00 C ATOM 1198 C ASP A 84 -10.002 3.935 -6.479 1.00 0.00 C ATOM 1199 O ASP A 84 -8.837 3.994 -6.869 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.460 3.020 -8.733 1.00 0.00 C ATOM 1201 CG ASP A 84 -11.274 2.047 -9.588 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -12.017 1.244 -8.982 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -11.135 2.127 -10.827 1.00 0.00 O ATOM 0 H ASP A 84 -12.096 4.891 -8.490 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.586 2.527 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.286 3.929 -9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.484 2.577 -8.535 1.00 0.00 H new ATOM 1208 N SER A 85 -10.411 4.309 -5.275 1.00 0.00 N ATOM 1209 CA SER A 85 -9.474 4.834 -4.297 1.00 0.00 C ATOM 1210 C SER A 85 -8.340 3.833 -4.067 1.00 0.00 C ATOM 1211 O SER A 85 -8.565 2.623 -4.076 1.00 0.00 O ATOM 1212 CB SER A 85 -10.177 5.152 -2.976 1.00 0.00 C ATOM 1213 OG SER A 85 -11.244 6.081 -3.148 1.00 0.00 O ATOM 0 H SER A 85 -11.378 4.259 -4.955 1.00 0.00 H new ATOM 0 HA SER A 85 -9.057 5.762 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.565 4.231 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.453 5.558 -2.269 1.00 0.00 H new ATOM 0 HG SER A 85 -10.885 6.993 -3.163 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.147 4.373 -3.867 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.978 3.542 -3.636 1.00 0.00 C ATOM 1221 C ARG A 86 -5.066 4.188 -2.591 1.00 0.00 C ATOM 1222 O ARG A 86 -5.307 5.316 -2.164 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.190 3.328 -4.930 1.00 0.00 C ATOM 1224 CG ARG A 86 -5.002 4.647 -5.681 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.519 5.003 -5.802 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.137 5.105 -7.229 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.654 5.999 -8.083 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -4.578 6.873 -7.660 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -3.248 6.018 -9.359 1.00 0.00 N ATOM 0 H ARG A 86 -6.965 5.377 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.325 2.575 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.217 2.894 -4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.715 2.615 -5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.443 4.570 -6.675 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.530 5.445 -5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.321 5.948 -5.296 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.913 4.244 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.437 4.454 -7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.888 6.858 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.972 7.554 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.545 5.352 -9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.641 6.698 -10.009 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.037 3.445 -2.210 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.087 3.932 -1.224 1.00 0.00 C ATOM 1245 C PHE A 87 -1.770 4.341 -1.886 1.00 0.00 C ATOM 1246 O PHE A 87 -1.387 3.781 -2.912 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.820 2.779 -0.254 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.914 2.584 0.798 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.054 3.485 1.807 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.746 1.511 0.723 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -5.070 3.304 2.783 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.761 1.331 1.699 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.902 2.231 2.709 1.00 0.00 C ATOM 0 H PHE A 87 -3.840 2.510 -2.566 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.493 4.806 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.710 1.856 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.871 2.956 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.393 4.337 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.635 0.796 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.182 4.019 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.422 0.479 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.674 2.094 3.452 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.114 5.315 -1.273 1.00 0.00 N ATOM 1264 CA VAL A 88 0.152 5.806 -1.790 1.00 0.00 C ATOM 1265 C VAL A 88 1.175 5.861 -0.654 1.00 0.00 C ATOM 1266 O VAL A 88 0.828 6.176 0.484 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.052 7.158 -2.477 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.275 7.715 -2.996 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.081 7.050 -3.605 1.00 0.00 C ATOM 0 H VAL A 88 -1.436 5.778 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 88 0.544 5.127 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.440 7.856 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.102 8.676 -3.480 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.965 7.847 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.705 7.019 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.207 8.024 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.734 6.330 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.035 6.718 -3.196 1.00 0.00 H new ATOM 1279 N PHE A 89 2.415 5.551 -1.002 1.00 0.00 N ATOM 1280 CA PHE A 89 3.491 5.561 -0.025 1.00 0.00 C ATOM 1281 C PHE A 89 4.381 6.793 -0.202 1.00 0.00 C ATOM 1282 O PHE A 89 4.993 6.975 -1.253 1.00 0.00 O ATOM 1283 CB PHE A 89 4.328 4.304 -0.268 1.00 0.00 C ATOM 1284 CG PHE A 89 5.257 3.941 0.892 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.756 3.813 2.150 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.584 3.745 0.666 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.618 3.477 3.227 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.446 3.409 1.742 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.945 3.281 3.001 1.00 0.00 C ATOM 0 H PHE A 89 2.699 5.291 -1.947 1.00 0.00 H new ATOM 0 HA PHE A 89 3.077 5.586 0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.658 3.466 -0.460 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.926 4.447 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.702 3.967 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.982 3.845 -0.333 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.220 3.377 4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.500 3.255 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.601 3.024 3.820 1.00 0.00 H new ATOM 1299 N ARG A 90 4.424 7.608 0.842 1.00 0.00 N ATOM 1300 CA ARG A 90 5.228 8.818 0.815 1.00 0.00 C ATOM 1301 C ARG A 90 5.614 9.230 2.236 1.00 0.00 C ATOM 1302 O ARG A 90 4.896 8.932 3.190 1.00 0.00 O ATOM 1303 CB ARG A 90 4.472 9.967 0.145 1.00 0.00 C ATOM 1304 CG ARG A 90 3.047 10.078 0.691 1.00 0.00 C ATOM 1305 CD ARG A 90 2.044 10.316 -0.439 1.00 0.00 C ATOM 1306 NE ARG A 90 2.497 11.438 -1.291 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.895 11.808 -2.429 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.812 11.147 -2.859 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.376 12.839 -3.137 1.00 0.00 N ATOM 0 H ARG A 90 3.915 7.454 1.712 1.00 0.00 H new ATOM 0 HA ARG A 90 6.128 8.606 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.004 10.904 0.313 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.441 9.807 -0.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.787 9.165 1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.992 10.896 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.939 9.412 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.061 10.538 -0.023 1.00 0.00 H new ATOM 0 HE ARG A 90 3.319 11.963 -0.993 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.446 10.362 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.353 11.429 -3.725 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.201 13.342 -2.809 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.918 13.121 -4.004 1.00 0.00 H new ATOM 1323 N LYS A 91 6.748 9.909 2.334 1.00 0.00 N ATOM 1324 CA LYS A 91 7.238 10.366 3.623 1.00 0.00 C ATOM 1325 C LYS A 91 7.002 11.872 3.749 1.00 0.00 C ATOM 1326 O LYS A 91 7.064 12.424 4.847 1.00 0.00 O ATOM 1327 CB LYS A 91 8.699 9.954 3.818 1.00 0.00 C ATOM 1328 CG LYS A 91 9.575 10.486 2.681 1.00 0.00 C ATOM 1329 CD LYS A 91 11.038 10.581 3.116 1.00 0.00 C ATOM 1330 CE LYS A 91 11.958 9.906 2.097 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.840 10.905 1.453 1.00 0.00 N ATOM 0 H LYS A 91 7.341 10.154 1.541 1.00 0.00 H new ATOM 0 HA LYS A 91 6.685 9.888 4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.064 10.335 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.772 8.867 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.491 9.830 1.815 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.219 11.469 2.372 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.320 11.628 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.162 10.110 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.561 9.145 2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.361 9.398 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.458 10.430 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.260 11.617 0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.423 11.371 2.177 1.00 0.00 H new ATOM 1345 N ASN A 92 6.737 12.495 2.610 1.00 0.00 N ATOM 1346 CA ASN A 92 6.492 13.927 2.579 1.00 0.00 C ATOM 1347 C ASN A 92 5.140 14.194 1.915 1.00 0.00 C ATOM 1348 O ASN A 92 4.974 13.956 0.719 1.00 0.00 O ATOM 1349 CB ASN A 92 7.569 14.653 1.770 1.00 0.00 C ATOM 1350 CG ASN A 92 7.686 16.116 2.202 1.00 0.00 C ATOM 1351 OD1 ASN A 92 7.179 16.528 3.232 1.00 0.00 O ATOM 1352 ND2 ASN A 92 8.379 16.875 1.359 1.00 0.00 N ATOM 0 H ASN A 92 6.687 12.034 1.701 1.00 0.00 H new ATOM 0 HA ASN A 92 6.504 14.294 3.605 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.528 14.153 1.904 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.328 14.602 0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.513 17.867 1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 92 8.777 16.466 0.514 1.00 0.00 H new ATOM 1359 N PHE A 93 4.208 14.685 2.718 1.00 0.00 N ATOM 1360 CA PHE A 93 2.876 14.987 2.223 1.00 0.00 C ATOM 1361 C PHE A 93 1.988 15.540 3.339 1.00 0.00 C ATOM 1362 O PHE A 93 1.699 14.842 4.311 1.00 0.00 O ATOM 1363 CB PHE A 93 2.279 13.673 1.716 1.00 0.00 C ATOM 1364 CG PHE A 93 0.749 13.654 1.690 1.00 0.00 C ATOM 1365 CD1 PHE A 93 0.079 14.221 0.651 1.00 0.00 C ATOM 1366 CD2 PHE A 93 0.059 13.070 2.706 1.00 0.00 C ATOM 1367 CE1 PHE A 93 -1.340 14.203 0.626 1.00 0.00 C ATOM 1368 CE2 PHE A 93 -1.361 13.052 2.681 1.00 0.00 C ATOM 1369 CZ PHE A 93 -2.030 13.619 1.642 1.00 0.00 C ATOM 0 H PHE A 93 4.349 14.881 3.709 1.00 0.00 H new ATOM 0 HA PHE A 93 2.933 15.739 1.436 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.652 13.481 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.632 12.858 2.348 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.627 14.685 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.591 12.620 3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.872 14.653 -0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.909 12.588 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.110 13.606 1.624 1.00 0.00 H new ATOM 1379 N ALA A 94 1.580 16.788 3.164 1.00 0.00 N ATOM 1380 CA ALA A 94 0.730 17.442 4.145 1.00 0.00 C ATOM 1381 C ALA A 94 -0.147 18.480 3.441 1.00 0.00 C ATOM 1382 O ALA A 94 -1.359 18.517 3.650 1.00 0.00 O ATOM 1383 CB ALA A 94 1.600 18.061 5.241 1.00 0.00 C ATOM 0 H ALA A 94 1.822 17.364 2.358 1.00 0.00 H new ATOM 0 HA ALA A 94 0.068 16.720 4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.963 18.552 5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.182 17.279 5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.275 18.794 4.799 1.00 0.00 H new ATOM 1389 N SER A 95 0.499 19.298 2.623 1.00 0.00 N ATOM 1390 CA SER A 95 -0.207 20.333 1.888 1.00 0.00 C ATOM 1391 C SER A 95 -0.849 21.322 2.864 1.00 0.00 C ATOM 1392 O SER A 95 -1.652 20.931 3.710 1.00 0.00 O ATOM 1393 CB SER A 95 -1.269 19.729 0.968 1.00 0.00 C ATOM 1394 OG SER A 95 -0.691 19.069 -0.154 1.00 0.00 O ATOM 0 H SER A 95 1.504 19.265 2.453 1.00 0.00 H new ATOM 0 HA SER A 95 0.514 20.863 1.265 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.876 19.021 1.532 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.938 20.517 0.620 1.00 0.00 H new ATOM 0 HG SER A 95 -1.402 18.696 -0.716 1.00 0.00 H new ATOM 1400 N GLY A 96 -0.473 22.583 2.712 1.00 0.00 N ATOM 1401 CA GLY A 96 -1.002 23.630 3.569 1.00 0.00 C ATOM 1402 C GLY A 96 -0.822 25.007 2.927 1.00 0.00 C ATOM 1403 O GLY A 96 -1.318 25.253 1.829 1.00 0.00 O ATOM 0 H GLY A 96 0.192 22.903 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.060 23.449 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.496 23.606 4.534 1.00 0.00 H new ATOM 1407 N PRO A 97 -0.093 25.891 3.659 1.00 0.00 N ATOM 1408 CA PRO A 97 0.158 27.237 3.173 1.00 0.00 C ATOM 1409 C PRO A 97 1.213 27.232 2.064 1.00 0.00 C ATOM 1410 O PRO A 97 2.303 27.776 2.237 1.00 0.00 O ATOM 1411 CB PRO A 97 0.590 28.025 4.399 1.00 0.00 C ATOM 1412 CG PRO A 97 1.011 26.991 5.431 1.00 0.00 C ATOM 1413 CD PRO A 97 0.509 25.635 4.964 1.00 0.00 C ATOM 0 HA PRO A 97 -0.722 27.689 2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 97 1.414 28.697 4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.226 28.642 4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 97 2.096 26.980 5.540 1.00 0.00 H new ATOM 0 HG3 PRO A 97 0.595 27.236 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.324 24.915 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -0.219 25.221 5.661 1.00 0.00 H new ATOM 1421 N SER A 98 0.852 26.610 0.951 1.00 0.00 N ATOM 1422 CA SER A 98 1.754 26.527 -0.185 1.00 0.00 C ATOM 1423 C SER A 98 0.981 26.760 -1.485 1.00 0.00 C ATOM 1424 O SER A 98 -0.249 26.763 -1.488 1.00 0.00 O ATOM 1425 CB SER A 98 2.464 25.172 -0.226 1.00 0.00 C ATOM 1426 OG SER A 98 3.882 25.314 -0.249 1.00 0.00 O ATOM 0 H SER A 98 -0.052 26.159 0.812 1.00 0.00 H new ATOM 0 HA SER A 98 2.513 27.302 -0.077 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.172 24.583 0.644 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.140 24.619 -1.108 1.00 0.00 H new ATOM 0 HG SER A 98 4.299 24.428 -0.273 1.00 0.00 H new ATOM 1432 N SER A 99 1.735 26.950 -2.558 1.00 0.00 N ATOM 1433 CA SER A 99 1.136 27.183 -3.861 1.00 0.00 C ATOM 1434 C SER A 99 0.556 25.879 -4.412 1.00 0.00 C ATOM 1435 O SER A 99 1.295 24.937 -4.693 1.00 0.00 O ATOM 1436 CB SER A 99 2.157 27.765 -4.840 1.00 0.00 C ATOM 1437 OG SER A 99 1.565 28.100 -6.093 1.00 0.00 O ATOM 0 H SER A 99 2.755 26.947 -2.552 1.00 0.00 H new ATOM 0 HA SER A 99 0.332 27.909 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.611 28.655 -4.404 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.959 27.044 -4.999 1.00 0.00 H new ATOM 0 HG SER A 99 2.249 28.470 -6.689 1.00 0.00 H new ATOM 1443 N GLY A 100 -0.762 25.866 -4.549 1.00 0.00 N ATOM 1444 CA GLY A 100 -1.450 24.692 -5.061 1.00 0.00 C ATOM 1445 C GLY A 100 -0.880 23.412 -4.447 1.00 0.00 C ATOM 1446 O GLY A 100 -0.095 22.710 -5.083 1.00 0.00 O ATOM 0 H GLY A 100 -1.372 26.649 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.515 24.764 -4.838 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.353 24.654 -6.146 1.00 0.00 H new TER 1450 GLY A 100