USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 686 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 60 MET CE :methyl 158:sc= -0.0862 (180deg=-0.552) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 24 THR OG1 : rot 143:sc= 0.142 USER MOD Set 2.2: A 34 GLN : amide:sc= 0.264 K(o=0.41,f=-1) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 11 CYS SG : rot -38:sc= -1.01 USER MOD Set 4.2: A 82 THR OG1 : rot -25:sc= 0.00228 USER MOD Set 5.1: A 9 GLN : amide:sc= -0.305 K(o=-0.37,f=-2.3!) USER MOD Set 5.2: A 55 LYS NZ :NH3+ -170:sc= -0.0693 (180deg=-0.00558) 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 15 GLN : amide:sc= -2.22! C(o=-2.2!,f=-3!) USER MOD Single : A 18 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.93) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 50:sc=0.000189 USER MOD Single : A 43 MET CE :methyl -146:sc= -0.0607 (180deg=-0.776) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.2) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.104 K(o=-0.1,f=-6.3!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.793) USER MOD Single : A 74 LYS NZ :NH3+ -152:sc= -0.0661 (180deg=-0.763) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0722 USER MOD Single : A 88 SER OG : rot -0:sc= 0.534 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 44:sc= 0.835 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.671 -17.697 -12.129 1.00 0.00 N ATOM 2 CA GLY A 1 -22.615 -16.614 -12.334 1.00 0.00 C ATOM 3 C GLY A 1 -21.957 -15.369 -12.896 1.00 0.00 C ATOM 4 O GLY A 1 -21.752 -15.259 -14.104 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.170 -18.524 -11.744 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.230 -17.950 -13.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.935 -17.394 -11.459 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.400 -16.945 -13.014 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.096 -16.371 -11.386 1.00 0.00 H new ATOM 8 N SER A 2 -21.627 -14.429 -12.017 1.00 0.00 N ATOM 9 CA SER A 2 -20.993 -13.183 -12.433 1.00 0.00 C ATOM 10 C SER A 2 -20.262 -12.529 -11.264 1.00 0.00 C ATOM 11 O SER A 2 -20.684 -12.640 -10.113 1.00 0.00 O ATOM 12 CB SER A 2 -22.038 -12.219 -12.999 1.00 0.00 C ATOM 13 OG SER A 2 -21.459 -10.961 -13.303 1.00 0.00 O ATOM 0 H SER A 2 -21.788 -14.506 -11.013 1.00 0.00 H new ATOM 0 HA SER A 2 -20.265 -13.416 -13.210 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.482 -12.646 -13.899 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.844 -12.087 -12.278 1.00 0.00 H new ATOM 0 HG SER A 2 -22.146 -10.363 -13.665 1.00 0.00 H new ATOM 19 N SER A 3 -19.162 -11.847 -11.569 1.00 0.00 N ATOM 20 CA SER A 3 -18.369 -11.178 -10.545 1.00 0.00 C ATOM 21 C SER A 3 -18.018 -9.756 -10.972 1.00 0.00 C ATOM 22 O SER A 3 -17.505 -9.534 -12.068 1.00 0.00 O ATOM 23 CB SER A 3 -17.089 -11.969 -10.264 1.00 0.00 C ATOM 24 OG SER A 3 -17.309 -12.961 -9.276 1.00 0.00 O ATOM 0 H SER A 3 -18.800 -11.744 -12.517 1.00 0.00 H new ATOM 0 HA SER A 3 -18.965 -11.128 -9.634 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.739 -12.438 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.303 -11.290 -9.933 1.00 0.00 H new ATOM 0 HG SER A 3 -16.477 -13.453 -9.116 1.00 0.00 H new ATOM 30 N GLY A 4 -18.299 -8.796 -10.097 1.00 0.00 N ATOM 31 CA GLY A 4 -18.007 -7.407 -10.400 1.00 0.00 C ATOM 32 C GLY A 4 -16.949 -6.823 -9.486 1.00 0.00 C ATOM 33 O GLY A 4 -16.121 -7.552 -8.939 1.00 0.00 O ATOM 0 H GLY A 4 -18.724 -8.955 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.673 -7.327 -11.434 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.921 -6.820 -10.314 1.00 0.00 H new ATOM 37 N SER A 5 -16.974 -5.505 -9.320 1.00 0.00 N ATOM 38 CA SER A 5 -16.006 -4.823 -8.469 1.00 0.00 C ATOM 39 C SER A 5 -16.634 -3.605 -7.798 1.00 0.00 C ATOM 40 O SER A 5 -17.028 -2.649 -8.465 1.00 0.00 O ATOM 41 CB SER A 5 -14.787 -4.395 -9.289 1.00 0.00 C ATOM 42 OG SER A 5 -14.063 -5.521 -9.753 1.00 0.00 O ATOM 0 H SER A 5 -17.654 -4.888 -9.764 1.00 0.00 H new ATOM 0 HA SER A 5 -15.688 -5.519 -7.693 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.109 -3.791 -10.137 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.137 -3.767 -8.680 1.00 0.00 H new ATOM 0 HG SER A 5 -13.290 -5.220 -10.275 1.00 0.00 H new ATOM 48 N SER A 6 -16.725 -3.649 -6.472 1.00 0.00 N ATOM 49 CA SER A 6 -17.309 -2.552 -5.709 1.00 0.00 C ATOM 50 C SER A 6 -16.278 -1.456 -5.458 1.00 0.00 C ATOM 51 O SER A 6 -15.165 -1.726 -5.010 1.00 0.00 O ATOM 52 CB SER A 6 -17.860 -3.066 -4.378 1.00 0.00 C ATOM 53 OG SER A 6 -18.964 -3.930 -4.582 1.00 0.00 O ATOM 0 H SER A 6 -16.402 -4.432 -5.904 1.00 0.00 H new ATOM 0 HA SER A 6 -18.127 -2.130 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.076 -3.595 -3.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.164 -2.223 -3.757 1.00 0.00 H new ATOM 0 HG SER A 6 -19.296 -4.246 -3.716 1.00 0.00 H new ATOM 59 N GLY A 7 -16.659 -0.216 -5.750 1.00 0.00 N ATOM 60 CA GLY A 7 -15.757 0.903 -5.550 1.00 0.00 C ATOM 61 C GLY A 7 -14.907 1.189 -6.772 1.00 0.00 C ATOM 62 O GLY A 7 -14.879 0.400 -7.716 1.00 0.00 O ATOM 0 H GLY A 7 -17.576 0.033 -6.121 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.336 1.792 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.107 0.694 -4.700 1.00 0.00 H new ATOM 66 N VAL A 8 -14.212 2.323 -6.756 1.00 0.00 N ATOM 67 CA VAL A 8 -13.358 2.711 -7.871 1.00 0.00 C ATOM 68 C VAL A 8 -11.906 2.851 -7.428 1.00 0.00 C ATOM 69 O VAL A 8 -11.600 3.600 -6.500 1.00 0.00 O ATOM 70 CB VAL A 8 -13.822 4.039 -8.498 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.621 5.189 -7.523 1.00 0.00 C ATOM 72 CG2 VAL A 8 -13.083 4.300 -9.802 1.00 0.00 C ATOM 0 H VAL A 8 -14.224 2.988 -5.983 1.00 0.00 H new ATOM 0 HA VAL A 8 -13.433 1.920 -8.617 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.887 3.963 -8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.954 6.119 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.200 5.004 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.564 5.269 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -13.424 5.242 -10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -12.012 4.356 -9.608 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.283 3.489 -10.502 1.00 0.00 H new ATOM 82 N GLN A 9 -11.016 2.127 -8.098 1.00 0.00 N ATOM 83 CA GLN A 9 -9.595 2.171 -7.773 1.00 0.00 C ATOM 84 C GLN A 9 -8.875 3.216 -8.618 1.00 0.00 C ATOM 85 O GLN A 9 -9.182 3.394 -9.797 1.00 0.00 O ATOM 86 CB GLN A 9 -8.958 0.796 -7.988 1.00 0.00 C ATOM 87 CG GLN A 9 -8.959 0.347 -9.440 1.00 0.00 C ATOM 88 CD GLN A 9 -8.683 -1.136 -9.592 1.00 0.00 C ATOM 89 OE1 GLN A 9 -9.056 -1.940 -8.736 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.026 -1.508 -10.685 1.00 0.00 N ATOM 0 H GLN A 9 -11.253 1.503 -8.869 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.497 2.449 -6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.931 0.819 -7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.492 0.059 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.925 0.581 -9.888 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.207 0.911 -9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.736 -0.809 -11.368 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.812 -2.493 -10.841 1.00 0.00 H new ATOM 99 N ARG A 10 -7.916 3.905 -8.009 1.00 0.00 N ATOM 100 CA ARG A 10 -7.153 4.934 -8.705 1.00 0.00 C ATOM 101 C ARG A 10 -5.660 4.624 -8.665 1.00 0.00 C ATOM 102 O ARG A 10 -5.166 4.019 -7.712 1.00 0.00 O ATOM 103 CB ARG A 10 -7.418 6.305 -8.081 1.00 0.00 C ATOM 104 CG ARG A 10 -7.163 7.465 -9.029 1.00 0.00 C ATOM 105 CD ARG A 10 -7.151 8.795 -8.292 1.00 0.00 C ATOM 106 NE ARG A 10 -6.040 8.888 -7.348 1.00 0.00 N ATOM 107 CZ ARG A 10 -5.609 10.033 -6.832 1.00 0.00 C ATOM 108 NH1 ARG A 10 -6.192 11.176 -7.165 1.00 0.00 N ATOM 109 NH2 ARG A 10 -4.592 10.037 -5.980 1.00 0.00 N ATOM 0 H ARG A 10 -7.649 3.769 -7.034 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.475 4.948 -9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.453 6.346 -7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.787 6.422 -7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.209 7.320 -9.535 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.933 7.482 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.082 9.609 -9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.092 8.922 -7.757 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.570 8.027 -7.070 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.974 11.178 -7.820 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.858 12.054 -6.767 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.140 9.160 -5.721 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.262 10.917 -5.584 1.00 0.00 H new ATOM 123 N CYS A 11 -4.946 5.043 -9.704 1.00 0.00 N ATOM 124 CA CYS A 11 -3.508 4.809 -9.788 1.00 0.00 C ATOM 125 C CYS A 11 -2.731 6.019 -9.281 1.00 0.00 C ATOM 126 O CYS A 11 -2.870 7.124 -9.805 1.00 0.00 O ATOM 127 CB CYS A 11 -3.105 4.496 -11.229 1.00 0.00 C ATOM 128 SG CYS A 11 -1.478 3.725 -11.390 1.00 0.00 S ATOM 0 H CYS A 11 -5.339 5.546 -10.500 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.266 3.954 -9.157 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.853 3.836 -11.669 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.116 5.420 -11.807 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.659 4.256 -10.531 1.00 0.00 H new ATOM 134 N VAL A 12 -1.912 5.803 -8.256 1.00 0.00 N ATOM 135 CA VAL A 12 -1.112 6.876 -7.677 1.00 0.00 C ATOM 136 C VAL A 12 0.378 6.574 -7.793 1.00 0.00 C ATOM 137 O VAL A 12 0.808 5.437 -7.601 1.00 0.00 O ATOM 138 CB VAL A 12 -1.465 7.102 -6.195 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.258 5.824 -5.396 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.637 8.241 -5.619 1.00 0.00 C ATOM 0 H VAL A 12 -1.785 4.895 -7.810 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.341 7.781 -8.239 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.517 7.378 -6.127 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.512 6.003 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.898 5.037 -5.796 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.215 5.515 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.899 8.387 -4.571 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.422 7.997 -5.698 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.840 9.156 -6.175 1.00 0.00 H new ATOM 150 N ILE A 13 1.161 7.601 -8.109 1.00 0.00 N ATOM 151 CA ILE A 13 2.603 7.445 -8.250 1.00 0.00 C ATOM 152 C ILE A 13 3.346 8.189 -7.145 1.00 0.00 C ATOM 153 O ILE A 13 3.174 9.396 -6.971 1.00 0.00 O ATOM 154 CB ILE A 13 3.094 7.957 -9.617 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.508 7.106 -10.745 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.615 7.944 -9.672 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.780 7.661 -12.125 1.00 0.00 C ATOM 0 H ILE A 13 0.821 8.549 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 13 2.814 6.378 -8.174 1.00 0.00 H new ATOM 0 HB ILE A 13 2.754 8.984 -9.748 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.919 6.099 -10.680 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.431 7.021 -10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.947 8.308 -10.644 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.013 8.588 -8.888 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.976 6.926 -9.524 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.335 7.006 -12.875 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.345 8.657 -12.209 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.856 7.720 -12.288 1.00 0.00 H new ATOM 169 N ILE A 14 4.173 7.461 -6.402 1.00 0.00 N ATOM 170 CA ILE A 14 4.945 8.052 -5.316 1.00 0.00 C ATOM 171 C ILE A 14 6.434 8.067 -5.644 1.00 0.00 C ATOM 172 O ILE A 14 7.043 7.018 -5.851 1.00 0.00 O ATOM 173 CB ILE A 14 4.729 7.293 -3.994 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.246 7.295 -3.615 1.00 0.00 C ATOM 175 CG2 ILE A 14 5.565 7.912 -2.884 1.00 0.00 C ATOM 176 CD1 ILE A 14 2.901 6.308 -2.522 1.00 0.00 C ATOM 0 H ILE A 14 4.326 6.461 -6.532 1.00 0.00 H new ATOM 0 HA ILE A 14 4.592 9.076 -5.199 1.00 0.00 H new ATOM 0 HB ILE A 14 5.049 6.260 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.963 8.297 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.653 7.067 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.401 7.364 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.620 7.863 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.274 8.953 -2.747 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.834 6.364 -2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.152 5.299 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.468 6.549 -1.622 1.00 0.00 H new ATOM 188 N GLN A 15 7.013 9.262 -5.686 1.00 0.00 N ATOM 189 CA GLN A 15 8.432 9.412 -5.988 1.00 0.00 C ATOM 190 C GLN A 15 9.246 9.578 -4.709 1.00 0.00 C ATOM 191 O GLN A 15 8.876 10.347 -3.820 1.00 0.00 O ATOM 192 CB GLN A 15 8.655 10.614 -6.908 1.00 0.00 C ATOM 193 CG GLN A 15 8.523 11.954 -6.201 1.00 0.00 C ATOM 194 CD GLN A 15 7.096 12.260 -5.793 1.00 0.00 C ATOM 195 OE1 GLN A 15 6.760 12.247 -4.608 1.00 0.00 O ATOM 196 NE2 GLN A 15 6.246 12.539 -6.775 1.00 0.00 N ATOM 0 H GLN A 15 6.522 10.140 -5.515 1.00 0.00 H new ATOM 0 HA GLN A 15 8.767 8.508 -6.496 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.648 10.543 -7.351 1.00 0.00 H new ATOM 0 HB3 GLN A 15 7.937 10.572 -7.727 1.00 0.00 H new ATOM 0 HG2 GLN A 15 9.159 11.958 -5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.887 12.744 -6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.567 12.539 -7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.272 12.754 -6.561 1.00 0.00 H new ATOM 205 N LYS A 16 10.355 8.853 -4.621 1.00 0.00 N ATOM 206 CA LYS A 16 11.223 8.919 -3.451 1.00 0.00 C ATOM 207 C LYS A 16 11.790 10.324 -3.273 1.00 0.00 C ATOM 208 O LYS A 16 12.146 10.988 -4.247 1.00 0.00 O ATOM 209 CB LYS A 16 12.365 7.909 -3.580 1.00 0.00 C ATOM 210 CG LYS A 16 13.195 8.087 -4.840 1.00 0.00 C ATOM 211 CD LYS A 16 14.287 7.035 -4.941 1.00 0.00 C ATOM 212 CE LYS A 16 15.316 7.400 -6.001 1.00 0.00 C ATOM 213 NZ LYS A 16 16.624 6.733 -5.756 1.00 0.00 N ATOM 0 H LYS A 16 10.675 8.212 -5.347 1.00 0.00 H new ATOM 0 HA LYS A 16 10.626 8.673 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.016 7.997 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.951 6.901 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.548 8.026 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.644 9.080 -4.844 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.780 6.927 -3.975 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.842 6.069 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.941 7.115 -6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.456 8.481 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.298 7.007 -6.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.994 7.024 -4.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.495 5.701 -5.769 1.00 0.00 H new ATOM 227 N ASP A 17 11.873 10.770 -2.025 1.00 0.00 N ATOM 228 CA ASP A 17 12.400 12.095 -1.720 1.00 0.00 C ATOM 229 C ASP A 17 13.825 12.003 -1.184 1.00 0.00 C ATOM 230 O ASP A 17 14.723 12.695 -1.662 1.00 0.00 O ATOM 231 CB ASP A 17 11.503 12.802 -0.702 1.00 0.00 C ATOM 232 CG ASP A 17 11.879 14.258 -0.511 1.00 0.00 C ATOM 233 OD1 ASP A 17 13.090 14.566 -0.534 1.00 0.00 O ATOM 234 OD2 ASP A 17 10.964 15.089 -0.339 1.00 0.00 O ATOM 0 H ASP A 17 11.582 10.234 -1.208 1.00 0.00 H new ATOM 0 HA ASP A 17 12.415 12.674 -2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.466 12.738 -1.030 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.567 12.285 0.255 1.00 0.00 H new ATOM 239 N GLN A 18 14.023 11.146 -0.187 1.00 0.00 N ATOM 240 CA GLN A 18 15.338 10.966 0.415 1.00 0.00 C ATOM 241 C GLN A 18 15.924 9.607 0.047 1.00 0.00 C ATOM 242 O GLN A 18 16.495 8.916 0.892 1.00 0.00 O ATOM 243 CB GLN A 18 15.249 11.102 1.936 1.00 0.00 C ATOM 244 CG GLN A 18 16.540 11.583 2.580 1.00 0.00 C ATOM 245 CD GLN A 18 16.854 13.028 2.249 1.00 0.00 C ATOM 246 OE1 GLN A 18 15.952 13.848 2.075 1.00 0.00 O ATOM 247 NE2 GLN A 18 18.140 13.349 2.161 1.00 0.00 N ATOM 0 H GLN A 18 13.289 10.566 0.220 1.00 0.00 H new ATOM 0 HA GLN A 18 15.997 11.742 0.026 1.00 0.00 H new ATOM 0 HB2 GLN A 18 14.448 11.798 2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 18 14.977 10.137 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.466 11.470 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 18 17.364 10.951 2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.855 12.637 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.413 14.307 1.942 1.00 0.00 H new ATOM 256 N HIS A 19 15.778 9.228 -1.218 1.00 0.00 N ATOM 257 CA HIS A 19 16.292 7.950 -1.698 1.00 0.00 C ATOM 258 C HIS A 19 15.578 6.786 -1.017 1.00 0.00 C ATOM 259 O HIS A 19 16.182 5.752 -0.737 1.00 0.00 O ATOM 260 CB HIS A 19 17.798 7.856 -1.447 1.00 0.00 C ATOM 261 CG HIS A 19 18.584 8.947 -2.106 1.00 0.00 C ATOM 262 ND1 HIS A 19 18.853 8.970 -3.458 1.00 0.00 N ATOM 263 CD2 HIS A 19 19.159 10.059 -1.591 1.00 0.00 C ATOM 264 CE1 HIS A 19 19.561 10.047 -3.746 1.00 0.00 C ATOM 265 NE2 HIS A 19 19.760 10.725 -2.630 1.00 0.00 N ATOM 0 H HIS A 19 15.308 9.787 -1.930 1.00 0.00 H new ATOM 0 HA HIS A 19 16.105 7.891 -2.770 1.00 0.00 H new ATOM 0 HB2 HIS A 19 17.982 7.885 -0.373 1.00 0.00 H new ATOM 0 HB3 HIS A 19 18.158 6.892 -1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 19 19.147 10.365 -0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 19 19.917 10.326 -4.727 1.00 0.00 H new ATOM 0 HE2 HIS A 19 20.276 11.601 -2.553 1.00 0.00 H new ATOM 274 N GLY A 20 14.286 6.964 -0.753 1.00 0.00 N ATOM 275 CA GLY A 20 13.511 5.921 -0.107 1.00 0.00 C ATOM 276 C GLY A 20 12.123 6.389 0.284 1.00 0.00 C ATOM 277 O GLY A 20 11.962 7.469 0.853 1.00 0.00 O ATOM 0 H GLY A 20 13.763 7.811 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.427 5.066 -0.778 1.00 0.00 H new ATOM 0 HA3 GLY A 20 14.039 5.578 0.782 1.00 0.00 H new ATOM 281 N PHE A 21 11.119 5.575 -0.021 1.00 0.00 N ATOM 282 CA PHE A 21 9.737 5.912 0.300 1.00 0.00 C ATOM 283 C PHE A 21 9.523 5.949 1.811 1.00 0.00 C ATOM 284 O PHE A 21 10.410 5.589 2.583 1.00 0.00 O ATOM 285 CB PHE A 21 8.781 4.901 -0.337 1.00 0.00 C ATOM 286 CG PHE A 21 9.097 4.601 -1.774 1.00 0.00 C ATOM 287 CD1 PHE A 21 8.754 5.497 -2.774 1.00 0.00 C ATOM 288 CD2 PHE A 21 9.738 3.424 -2.125 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.043 5.223 -4.098 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.029 3.144 -3.447 1.00 0.00 C ATOM 291 CZ PHE A 21 9.682 4.046 -4.435 1.00 0.00 C ATOM 0 H PHE A 21 11.236 4.677 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 21 9.528 6.903 -0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.812 3.974 0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.763 5.283 -0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.255 6.420 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.014 2.717 -1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.769 5.929 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.527 2.222 -3.707 1.00 0.00 H new ATOM 0 HZ PHE A 21 9.910 3.831 -5.468 1.00 0.00 H new ATOM 301 N GLY A 22 8.338 6.388 2.224 1.00 0.00 N ATOM 302 CA GLY A 22 8.028 6.465 3.640 1.00 0.00 C ATOM 303 C GLY A 22 6.692 5.833 3.976 1.00 0.00 C ATOM 304 O GLY A 22 5.942 6.353 4.803 1.00 0.00 O ATOM 0 H GLY A 22 7.587 6.692 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.814 5.969 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.021 7.510 3.951 1.00 0.00 H new ATOM 308 N PHE A 23 6.393 4.709 3.334 1.00 0.00 N ATOM 309 CA PHE A 23 5.136 4.007 3.568 1.00 0.00 C ATOM 310 C PHE A 23 5.361 2.499 3.638 1.00 0.00 C ATOM 311 O PHE A 23 6.041 1.920 2.790 1.00 0.00 O ATOM 312 CB PHE A 23 4.132 4.333 2.461 1.00 0.00 C ATOM 313 CG PHE A 23 4.432 3.647 1.158 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.393 4.154 0.299 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.753 2.496 0.793 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.670 3.526 -0.901 1.00 0.00 C ATOM 317 CE2 PHE A 23 4.026 1.863 -0.405 1.00 0.00 C ATOM 318 CZ PHE A 23 4.987 2.378 -1.252 1.00 0.00 C ATOM 0 H PHE A 23 7.003 4.265 2.648 1.00 0.00 H new ATOM 0 HA PHE A 23 4.734 4.342 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.133 4.047 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.118 5.411 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.932 5.050 0.570 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.001 2.088 1.453 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.420 3.933 -1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.488 0.967 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.204 1.884 -2.187 1.00 0.00 H new ATOM 328 N THR A 24 4.786 1.868 4.657 1.00 0.00 N ATOM 329 CA THR A 24 4.924 0.429 4.841 1.00 0.00 C ATOM 330 C THR A 24 3.612 -0.291 4.551 1.00 0.00 C ATOM 331 O THR A 24 2.532 0.284 4.690 1.00 0.00 O ATOM 332 CB THR A 24 5.379 0.086 6.272 1.00 0.00 C ATOM 333 OG1 THR A 24 4.515 0.715 7.224 1.00 0.00 O ATOM 334 CG2 THR A 24 6.813 0.536 6.506 1.00 0.00 C ATOM 0 H THR A 24 4.220 2.332 5.368 1.00 0.00 H new ATOM 0 HA THR A 24 5.684 0.092 4.136 1.00 0.00 H new ATOM 0 HB THR A 24 5.330 -0.996 6.396 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.386 0.120 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.112 0.283 7.523 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.472 0.033 5.798 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.884 1.614 6.364 1.00 0.00 H new ATOM 342 N VAL A 25 3.711 -1.554 4.147 1.00 0.00 N ATOM 343 CA VAL A 25 2.531 -2.353 3.839 1.00 0.00 C ATOM 344 C VAL A 25 2.593 -3.712 4.528 1.00 0.00 C ATOM 345 O VAL A 25 3.669 -4.187 4.892 1.00 0.00 O ATOM 346 CB VAL A 25 2.378 -2.566 2.322 1.00 0.00 C ATOM 347 CG1 VAL A 25 2.133 -1.240 1.618 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.607 -3.261 1.755 1.00 0.00 C ATOM 0 H VAL A 25 4.596 -2.046 4.026 1.00 0.00 H new ATOM 0 HA VAL A 25 1.668 -1.800 4.209 1.00 0.00 H new ATOM 0 HB VAL A 25 1.514 -3.207 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.027 -1.411 0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.221 -0.786 2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.975 -0.572 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.482 -3.404 0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.489 -2.648 1.939 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.732 -4.230 2.238 1.00 0.00 H new ATOM 358 N SER A 26 1.431 -4.333 4.705 1.00 0.00 N ATOM 359 CA SER A 26 1.352 -5.636 5.354 1.00 0.00 C ATOM 360 C SER A 26 0.186 -6.449 4.800 1.00 0.00 C ATOM 361 O SER A 26 -0.864 -5.902 4.467 1.00 0.00 O ATOM 362 CB SER A 26 1.199 -5.468 6.866 1.00 0.00 C ATOM 363 OG SER A 26 1.741 -6.578 7.561 1.00 0.00 O ATOM 0 H SER A 26 0.532 -3.955 4.408 1.00 0.00 H new ATOM 0 HA SER A 26 2.277 -6.174 5.148 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.701 -4.555 7.186 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.144 -5.357 7.118 1.00 0.00 H new ATOM 0 HG SER A 26 1.632 -6.445 8.526 1.00 0.00 H new ATOM 369 N GLY A 27 0.379 -7.761 4.704 1.00 0.00 N ATOM 370 CA GLY A 27 -0.664 -8.629 4.190 1.00 0.00 C ATOM 371 C GLY A 27 -0.107 -9.827 3.446 1.00 0.00 C ATOM 372 O GLY A 27 1.003 -9.777 2.917 1.00 0.00 O ATOM 0 H GLY A 27 1.239 -8.238 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.285 -8.975 5.017 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.311 -8.059 3.523 1.00 0.00 H new ATOM 376 N ASP A 28 -0.879 -10.908 3.408 1.00 0.00 N ATOM 377 CA ASP A 28 -0.456 -12.125 2.724 1.00 0.00 C ATOM 378 C ASP A 28 -0.903 -12.113 1.266 1.00 0.00 C ATOM 379 O ASP A 28 -0.102 -12.335 0.359 1.00 0.00 O ATOM 380 CB ASP A 28 -1.021 -13.356 3.434 1.00 0.00 C ATOM 381 CG ASP A 28 -0.659 -13.394 4.905 1.00 0.00 C ATOM 382 OD1 ASP A 28 -0.962 -12.413 5.616 1.00 0.00 O ATOM 383 OD2 ASP A 28 -0.071 -14.404 5.346 1.00 0.00 O ATOM 0 H ASP A 28 -1.800 -10.966 3.842 1.00 0.00 H new ATOM 0 HA ASP A 28 0.633 -12.168 2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.106 -13.366 3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.646 -14.256 2.947 1.00 0.00 H new ATOM 388 N ARG A 29 -2.188 -11.853 1.049 1.00 0.00 N ATOM 389 CA ARG A 29 -2.743 -11.814 -0.299 1.00 0.00 C ATOM 390 C ARG A 29 -3.031 -10.378 -0.727 1.00 0.00 C ATOM 391 O ARG A 29 -2.373 -9.842 -1.620 1.00 0.00 O ATOM 392 CB ARG A 29 -4.025 -12.645 -0.370 1.00 0.00 C ATOM 393 CG ARG A 29 -4.340 -13.161 -1.765 1.00 0.00 C ATOM 394 CD ARG A 29 -3.538 -14.411 -2.091 1.00 0.00 C ATOM 395 NE ARG A 29 -3.935 -15.547 -1.263 1.00 0.00 N ATOM 396 CZ ARG A 29 -3.466 -16.778 -1.431 1.00 0.00 C ATOM 397 NH1 ARG A 29 -2.588 -17.031 -2.392 1.00 0.00 N ATOM 398 NH2 ARG A 29 -3.874 -17.760 -0.637 1.00 0.00 N ATOM 0 H ARG A 29 -2.864 -11.666 1.789 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.005 -12.237 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.937 -13.492 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.860 -12.039 -0.019 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.405 -13.381 -1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.121 -12.385 -2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.673 -14.664 -3.143 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.477 -14.209 -1.945 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.609 -15.386 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.271 -16.279 -3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.229 -17.977 -2.519 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.549 -17.570 0.104 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.513 -18.705 -0.768 1.00 0.00 H new ATOM 412 N ILE A 30 -4.017 -9.761 -0.085 1.00 0.00 N ATOM 413 CA ILE A 30 -4.391 -8.388 -0.400 1.00 0.00 C ATOM 414 C ILE A 30 -3.580 -7.394 0.425 1.00 0.00 C ATOM 415 O ILE A 30 -4.065 -6.853 1.419 1.00 0.00 O ATOM 416 CB ILE A 30 -5.891 -8.141 -0.149 1.00 0.00 C ATOM 417 CG1 ILE A 30 -6.256 -6.695 -0.488 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.246 -8.459 1.295 1.00 0.00 C ATOM 419 CD1 ILE A 30 -6.682 -6.499 -1.926 1.00 0.00 C ATOM 0 H ILE A 30 -4.571 -10.190 0.656 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.178 -8.238 -1.458 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.466 -8.802 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.063 -6.369 0.169 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.398 -6.055 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.309 -8.279 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.019 -9.504 1.504 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.665 -7.821 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.926 -5.450 -2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.869 -6.793 -2.590 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.559 -7.113 -2.133 1.00 0.00 H new ATOM 431 N VAL A 31 -2.341 -7.158 0.006 1.00 0.00 N ATOM 432 CA VAL A 31 -1.462 -6.227 0.704 1.00 0.00 C ATOM 433 C VAL A 31 -2.202 -4.947 1.076 1.00 0.00 C ATOM 434 O VAL A 31 -3.012 -4.437 0.300 1.00 0.00 O ATOM 435 CB VAL A 31 -0.233 -5.866 -0.152 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.625 -4.830 0.556 1.00 0.00 C ATOM 437 CG2 VAL A 31 0.577 -7.114 -0.471 1.00 0.00 C ATOM 0 H VAL A 31 -1.923 -7.599 -0.813 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.128 -6.728 1.613 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.579 -5.434 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.488 -4.588 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.038 -3.928 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.965 -5.230 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.442 -6.842 -1.076 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.914 -7.576 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.044 -7.820 -1.022 1.00 0.00 H new ATOM 447 N LEU A 32 -1.918 -4.431 2.266 1.00 0.00 N ATOM 448 CA LEU A 32 -2.556 -3.208 2.742 1.00 0.00 C ATOM 449 C LEU A 32 -1.517 -2.219 3.262 1.00 0.00 C ATOM 450 O LEU A 32 -0.359 -2.576 3.480 1.00 0.00 O ATOM 451 CB LEU A 32 -3.565 -3.532 3.845 1.00 0.00 C ATOM 452 CG LEU A 32 -4.993 -3.823 3.383 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.782 -4.510 4.487 1.00 0.00 C ATOM 454 CD2 LEU A 32 -5.686 -2.539 2.951 1.00 0.00 C ATOM 0 H LEU A 32 -1.250 -4.840 2.920 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.079 -2.750 1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.201 -4.396 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.593 -2.694 4.542 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.947 -4.494 2.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.796 -4.709 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.297 -5.450 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.819 -3.864 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.701 -2.765 2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.720 -1.844 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.133 -2.087 2.128 1.00 0.00 H new ATOM 466 N VAL A 33 -1.940 -0.975 3.461 1.00 0.00 N ATOM 467 CA VAL A 33 -1.048 0.066 3.959 1.00 0.00 C ATOM 468 C VAL A 33 -1.035 0.095 5.484 1.00 0.00 C ATOM 469 O VAL A 33 -2.017 0.487 6.114 1.00 0.00 O ATOM 470 CB VAL A 33 -1.457 1.454 3.433 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.502 2.522 3.946 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.504 1.455 1.913 1.00 0.00 C ATOM 0 H VAL A 33 -2.895 -0.663 3.285 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.049 -0.172 3.595 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.456 1.684 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.807 3.496 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.524 2.536 5.036 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.509 2.299 3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.795 2.444 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.520 1.203 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.231 0.719 1.571 1.00 0.00 H new ATOM 482 N GLN A 34 0.083 -0.321 6.069 1.00 0.00 N ATOM 483 CA GLN A 34 0.223 -0.343 7.520 1.00 0.00 C ATOM 484 C GLN A 34 0.179 1.071 8.092 1.00 0.00 C ATOM 485 O GLN A 34 -0.661 1.383 8.935 1.00 0.00 O ATOM 486 CB GLN A 34 1.533 -1.025 7.917 1.00 0.00 C ATOM 487 CG GLN A 34 1.586 -1.437 9.379 1.00 0.00 C ATOM 488 CD GLN A 34 3.003 -1.532 9.908 1.00 0.00 C ATOM 489 OE1 GLN A 34 3.963 -1.578 9.139 1.00 0.00 O ATOM 490 NE2 GLN A 34 3.142 -1.562 11.228 1.00 0.00 N ATOM 0 H GLN A 34 0.905 -0.647 5.561 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.612 -0.909 7.932 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.677 -1.908 7.294 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.362 -0.349 7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.027 -0.716 9.976 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.092 -2.401 9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.319 -1.522 11.829 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.072 -1.625 11.642 1.00 0.00 H new ATOM 499 N SER A 35 1.089 1.920 7.627 1.00 0.00 N ATOM 500 CA SER A 35 1.156 3.300 8.095 1.00 0.00 C ATOM 501 C SER A 35 1.795 4.200 7.043 1.00 0.00 C ATOM 502 O SER A 35 2.423 3.722 6.097 1.00 0.00 O ATOM 503 CB SER A 35 1.951 3.379 9.401 1.00 0.00 C ATOM 504 OG SER A 35 1.643 4.565 10.113 1.00 0.00 O ATOM 0 H SER A 35 1.790 1.677 6.927 1.00 0.00 H new ATOM 0 HA SER A 35 0.138 3.647 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.727 2.510 10.020 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.019 3.348 9.183 1.00 0.00 H new ATOM 0 HG SER A 35 0.670 4.661 10.184 1.00 0.00 H new ATOM 510 N VAL A 36 1.631 5.508 7.213 1.00 0.00 N ATOM 511 CA VAL A 36 2.191 6.478 6.279 1.00 0.00 C ATOM 512 C VAL A 36 2.978 7.557 7.014 1.00 0.00 C ATOM 513 O VAL A 36 2.400 8.418 7.678 1.00 0.00 O ATOM 514 CB VAL A 36 1.090 7.146 5.435 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.687 8.203 4.519 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.327 6.102 4.633 1.00 0.00 C ATOM 0 H VAL A 36 1.114 5.921 7.990 1.00 0.00 H new ATOM 0 HA VAL A 36 2.862 5.929 5.618 1.00 0.00 H new ATOM 0 HB VAL A 36 0.388 7.638 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.894 8.664 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.184 8.965 5.119 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.411 7.738 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.447 6.591 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.015 5.580 3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.134 5.386 5.313 1.00 0.00 H new ATOM 526 N ARG A 37 4.301 7.505 6.891 1.00 0.00 N ATOM 527 CA ARG A 37 5.168 8.478 7.544 1.00 0.00 C ATOM 528 C ARG A 37 4.511 9.855 7.577 1.00 0.00 C ATOM 529 O ARG A 37 3.874 10.290 6.618 1.00 0.00 O ATOM 530 CB ARG A 37 6.513 8.560 6.822 1.00 0.00 C ATOM 531 CG ARG A 37 7.654 9.031 7.709 1.00 0.00 C ATOM 532 CD ARG A 37 9.002 8.842 7.032 1.00 0.00 C ATOM 533 NE ARG A 37 9.072 9.537 5.749 1.00 0.00 N ATOM 534 CZ ARG A 37 10.165 9.580 4.995 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.274 8.972 5.394 1.00 0.00 N ATOM 536 NH2 ARG A 37 10.151 10.233 3.840 1.00 0.00 N ATOM 0 H ARG A 37 4.795 6.799 6.345 1.00 0.00 H new ATOM 0 HA ARG A 37 5.334 8.149 8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.759 7.578 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.420 9.238 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.514 10.084 7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.637 8.479 8.649 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.792 9.210 7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.185 7.778 6.879 1.00 0.00 H new ATOM 0 HE ARG A 37 8.236 10.015 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.289 8.470 6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.112 9.007 4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.300 10.703 3.530 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.991 10.265 3.262 1.00 0.00 H new ATOM 550 N PRO A 38 4.669 10.559 8.708 1.00 0.00 N ATOM 551 CA PRO A 38 4.099 11.897 8.894 1.00 0.00 C ATOM 552 C PRO A 38 4.789 12.946 8.029 1.00 0.00 C ATOM 553 O PRO A 38 5.748 13.586 8.459 1.00 0.00 O ATOM 554 CB PRO A 38 4.342 12.183 10.378 1.00 0.00 C ATOM 555 CG PRO A 38 5.518 11.343 10.738 1.00 0.00 C ATOM 556 CD PRO A 38 5.416 10.103 9.893 1.00 0.00 C ATOM 0 HA PRO A 38 3.049 11.937 8.605 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.543 13.240 10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.471 11.923 10.979 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.450 11.873 10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.509 11.094 11.799 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.400 9.718 9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.892 9.303 10.415 1.00 0.00 H new ATOM 564 N GLY A 39 4.295 13.118 6.807 1.00 0.00 N ATOM 565 CA GLY A 39 4.876 14.091 5.901 1.00 0.00 C ATOM 566 C GLY A 39 6.020 13.516 5.089 1.00 0.00 C ATOM 567 O GLY A 39 7.060 14.155 4.931 1.00 0.00 O ATOM 0 H GLY A 39 3.502 12.600 6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.104 14.460 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.235 14.947 6.473 1.00 0.00 H new ATOM 571 N GLY A 40 5.829 12.305 4.575 1.00 0.00 N ATOM 572 CA GLY A 40 6.863 11.664 3.783 1.00 0.00 C ATOM 573 C GLY A 40 6.646 11.842 2.293 1.00 0.00 C ATOM 574 O GLY A 40 6.410 12.954 1.822 1.00 0.00 O ATOM 0 H GLY A 40 4.977 11.756 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.834 12.076 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.890 10.600 4.019 1.00 0.00 H new ATOM 578 N ALA A 41 6.729 10.743 1.550 1.00 0.00 N ATOM 579 CA ALA A 41 6.539 10.783 0.105 1.00 0.00 C ATOM 580 C ALA A 41 5.127 10.352 -0.275 1.00 0.00 C ATOM 581 O ALA A 41 4.441 11.038 -1.032 1.00 0.00 O ATOM 582 CB ALA A 41 7.567 9.899 -0.586 1.00 0.00 C ATOM 0 H ALA A 41 6.926 9.815 1.924 1.00 0.00 H new ATOM 0 HA ALA A 41 6.678 11.812 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.414 9.938 -1.665 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.570 10.254 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.454 8.871 -0.240 1.00 0.00 H new ATOM 588 N ALA A 42 4.699 9.210 0.254 1.00 0.00 N ATOM 589 CA ALA A 42 3.367 8.689 -0.030 1.00 0.00 C ATOM 590 C ALA A 42 2.298 9.744 0.230 1.00 0.00 C ATOM 591 O ALA A 42 1.389 9.932 -0.578 1.00 0.00 O ATOM 592 CB ALA A 42 3.099 7.445 0.805 1.00 0.00 C ATOM 0 H ALA A 42 5.255 8.628 0.881 1.00 0.00 H new ATOM 0 HA ALA A 42 3.325 8.421 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.101 7.066 0.583 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.839 6.681 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.165 7.696 1.864 1.00 0.00 H new ATOM 598 N MET A 43 2.412 10.429 1.364 1.00 0.00 N ATOM 599 CA MET A 43 1.454 11.466 1.729 1.00 0.00 C ATOM 600 C MET A 43 1.313 12.495 0.612 1.00 0.00 C ATOM 601 O MET A 43 0.203 12.826 0.194 1.00 0.00 O ATOM 602 CB MET A 43 1.887 12.157 3.023 1.00 0.00 C ATOM 603 CG MET A 43 0.726 12.701 3.840 1.00 0.00 C ATOM 604 SD MET A 43 -0.214 11.401 4.662 1.00 0.00 S ATOM 605 CE MET A 43 0.719 11.215 6.179 1.00 0.00 C ATOM 0 H MET A 43 3.158 10.285 2.045 1.00 0.00 H new ATOM 0 HA MET A 43 0.485 10.991 1.885 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.449 11.449 3.632 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.564 12.976 2.779 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.107 13.396 4.588 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.061 13.267 3.187 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.700 10.171 6.492 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.750 11.525 6.012 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.275 11.835 6.958 1.00 0.00 H new ATOM 615 N LYS A 44 2.445 12.998 0.131 1.00 0.00 N ATOM 616 CA LYS A 44 2.450 13.989 -0.938 1.00 0.00 C ATOM 617 C LYS A 44 1.417 13.641 -2.006 1.00 0.00 C ATOM 618 O LYS A 44 0.585 14.470 -2.372 1.00 0.00 O ATOM 619 CB LYS A 44 3.841 14.082 -1.570 1.00 0.00 C ATOM 620 CG LYS A 44 4.941 14.401 -0.572 1.00 0.00 C ATOM 621 CD LYS A 44 6.095 15.137 -1.232 1.00 0.00 C ATOM 622 CE LYS A 44 6.974 14.190 -2.035 1.00 0.00 C ATOM 623 NZ LYS A 44 7.978 14.924 -2.853 1.00 0.00 N ATOM 0 H LYS A 44 3.372 12.735 0.465 1.00 0.00 H new ATOM 0 HA LYS A 44 2.190 14.955 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.071 13.137 -2.063 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.829 14.850 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.535 15.009 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.306 13.477 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.704 15.916 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.695 15.633 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.487 13.508 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.349 13.581 -2.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.557 14.243 -3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.489 15.556 -3.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.591 15.486 -2.228 1.00 0.00 H new ATOM 637 N ALA A 45 1.478 12.409 -2.502 1.00 0.00 N ATOM 638 CA ALA A 45 0.546 11.951 -3.525 1.00 0.00 C ATOM 639 C ALA A 45 -0.866 11.824 -2.965 1.00 0.00 C ATOM 640 O ALA A 45 -1.848 12.041 -3.674 1.00 0.00 O ATOM 641 CB ALA A 45 1.008 10.621 -4.103 1.00 0.00 C ATOM 0 H ALA A 45 2.163 11.711 -2.212 1.00 0.00 H new ATOM 0 HA ALA A 45 0.527 12.694 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.303 10.291 -4.866 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.995 10.742 -4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.058 9.877 -3.308 1.00 0.00 H new ATOM 647 N GLY A 46 -0.961 11.471 -1.686 1.00 0.00 N ATOM 648 CA GLY A 46 -2.258 11.320 -1.053 1.00 0.00 C ATOM 649 C GLY A 46 -2.568 9.879 -0.701 1.00 0.00 C ATOM 650 O GLY A 46 -3.643 9.372 -1.021 1.00 0.00 O ATOM 0 H GLY A 46 -0.163 11.287 -1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.290 11.927 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.031 11.702 -1.720 1.00 0.00 H new ATOM 654 N VAL A 47 -1.623 9.215 -0.043 1.00 0.00 N ATOM 655 CA VAL A 47 -1.800 7.823 0.352 1.00 0.00 C ATOM 656 C VAL A 47 -1.838 7.682 1.869 1.00 0.00 C ATOM 657 O VAL A 47 -0.976 8.207 2.575 1.00 0.00 O ATOM 658 CB VAL A 47 -0.674 6.934 -0.207 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.883 5.484 0.205 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.597 7.060 -1.721 1.00 0.00 C ATOM 0 H VAL A 47 -0.727 9.619 0.228 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.753 7.495 -0.064 1.00 0.00 H new ATOM 0 HB VAL A 47 0.274 7.273 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.077 4.871 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.883 5.411 1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.838 5.130 -0.183 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.204 6.425 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.545 6.749 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.395 8.097 -1.990 1.00 0.00 H new ATOM 670 N LYS A 48 -2.843 6.969 2.366 1.00 0.00 N ATOM 671 CA LYS A 48 -2.995 6.757 3.801 1.00 0.00 C ATOM 672 C LYS A 48 -3.284 5.290 4.106 1.00 0.00 C ATOM 673 O LYS A 48 -3.408 4.471 3.196 1.00 0.00 O ATOM 674 CB LYS A 48 -4.121 7.635 4.352 1.00 0.00 C ATOM 675 CG LYS A 48 -3.800 9.119 4.332 1.00 0.00 C ATOM 676 CD LYS A 48 -5.059 9.963 4.434 1.00 0.00 C ATOM 677 CE LYS A 48 -5.497 10.138 5.881 1.00 0.00 C ATOM 678 NZ LYS A 48 -6.833 10.789 5.981 1.00 0.00 N ATOM 0 H LYS A 48 -3.565 6.528 1.796 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.058 7.034 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.025 7.460 3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.338 7.333 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.132 9.359 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.269 9.365 3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.880 10.940 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.861 9.493 3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.530 9.165 6.371 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.760 10.738 6.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.096 10.890 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.796 11.728 5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.542 10.204 5.495 1.00 0.00 H new ATOM 692 N GLU A 49 -3.390 4.968 5.391 1.00 0.00 N ATOM 693 CA GLU A 49 -3.665 3.600 5.815 1.00 0.00 C ATOM 694 C GLU A 49 -5.011 3.124 5.275 1.00 0.00 C ATOM 695 O GLU A 49 -5.844 3.927 4.857 1.00 0.00 O ATOM 696 CB GLU A 49 -3.652 3.502 7.341 1.00 0.00 C ATOM 697 CG GLU A 49 -2.260 3.590 7.945 1.00 0.00 C ATOM 698 CD GLU A 49 -2.272 3.480 9.457 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.842 2.498 9.977 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.710 4.377 10.121 1.00 0.00 O ATOM 0 H GLU A 49 -3.290 5.635 6.156 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.882 2.958 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.269 4.301 7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.110 2.559 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.638 2.796 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.802 4.536 7.657 1.00 0.00 H new ATOM 707 N GLY A 50 -5.217 1.810 5.289 1.00 0.00 N ATOM 708 CA GLY A 50 -6.462 1.249 4.799 1.00 0.00 C ATOM 709 C GLY A 50 -6.454 1.045 3.297 1.00 0.00 C ATOM 710 O GLY A 50 -7.054 0.097 2.789 1.00 0.00 O ATOM 0 H GLY A 50 -4.544 1.125 5.631 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.645 0.294 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.286 1.910 5.069 1.00 0.00 H new ATOM 714 N ASP A 51 -5.775 1.936 2.584 1.00 0.00 N ATOM 715 CA ASP A 51 -5.693 1.850 1.130 1.00 0.00 C ATOM 716 C ASP A 51 -5.431 0.415 0.685 1.00 0.00 C ATOM 717 O ASP A 51 -4.461 -0.211 1.112 1.00 0.00 O ATOM 718 CB ASP A 51 -4.588 2.769 0.606 1.00 0.00 C ATOM 719 CG ASP A 51 -4.955 4.236 0.714 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.153 4.560 0.570 1.00 0.00 O ATOM 721 OD2 ASP A 51 -4.045 5.060 0.943 1.00 0.00 O ATOM 0 H ASP A 51 -5.273 2.726 2.989 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.649 2.171 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.671 2.585 1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.380 2.525 -0.436 1.00 0.00 H new ATOM 726 N ARG A 52 -6.304 -0.101 -0.174 1.00 0.00 N ATOM 727 CA ARG A 52 -6.169 -1.463 -0.676 1.00 0.00 C ATOM 728 C ARG A 52 -5.492 -1.475 -2.043 1.00 0.00 C ATOM 729 O ARG A 52 -6.087 -1.076 -3.045 1.00 0.00 O ATOM 730 CB ARG A 52 -7.541 -2.133 -0.769 1.00 0.00 C ATOM 731 CG ARG A 52 -7.497 -3.640 -0.576 1.00 0.00 C ATOM 732 CD ARG A 52 -8.817 -4.173 -0.042 1.00 0.00 C ATOM 733 NE ARG A 52 -9.900 -4.023 -1.010 1.00 0.00 N ATOM 734 CZ ARG A 52 -11.187 -4.130 -0.697 1.00 0.00 C ATOM 735 NH1 ARG A 52 -11.549 -4.387 0.553 1.00 0.00 N ATOM 736 NH2 ARG A 52 -12.114 -3.981 -1.634 1.00 0.00 N ATOM 0 H ARG A 52 -7.113 0.404 -0.537 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.546 -2.021 0.023 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.200 -1.698 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.978 -1.912 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.266 -4.123 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.694 -3.896 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.705 -5.226 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.076 -3.646 0.876 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.655 -3.825 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.839 -4.503 1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.537 -4.469 0.791 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.839 -3.784 -2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.101 -4.063 -1.392 1.00 0.00 H new ATOM 750 N ILE A 53 -4.245 -1.933 -2.076 1.00 0.00 N ATOM 751 CA ILE A 53 -3.487 -1.997 -3.319 1.00 0.00 C ATOM 752 C ILE A 53 -3.963 -3.151 -4.194 1.00 0.00 C ATOM 753 O ILE A 53 -4.006 -4.301 -3.754 1.00 0.00 O ATOM 754 CB ILE A 53 -1.979 -2.158 -3.052 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.477 -1.034 -2.143 1.00 0.00 C ATOM 756 CG2 ILE A 53 -1.208 -2.170 -4.364 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.182 -1.363 -1.435 1.00 0.00 C ATOM 0 H ILE A 53 -3.738 -2.265 -1.256 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.656 -1.055 -3.840 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.813 -3.109 -2.547 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.337 -0.131 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.242 -0.810 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.143 -2.284 -4.159 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.551 -3.002 -4.980 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.377 -1.233 -4.894 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.114 -0.522 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.322 -2.247 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.597 -1.558 -2.173 1.00 0.00 H new ATOM 769 N ILE A 54 -4.319 -2.838 -5.436 1.00 0.00 N ATOM 770 CA ILE A 54 -4.789 -3.850 -6.374 1.00 0.00 C ATOM 771 C ILE A 54 -3.716 -4.186 -7.404 1.00 0.00 C ATOM 772 O ILE A 54 -3.305 -5.339 -7.536 1.00 0.00 O ATOM 773 CB ILE A 54 -6.063 -3.390 -7.107 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.979 -2.624 -6.151 1.00 0.00 C ATOM 775 CG2 ILE A 54 -6.791 -4.585 -7.704 1.00 0.00 C ATOM 776 CD1 ILE A 54 -7.748 -3.518 -5.204 1.00 0.00 C ATOM 0 H ILE A 54 -4.291 -1.892 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.018 -4.740 -5.789 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.776 -2.722 -7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.380 -1.923 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.685 -2.033 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.689 -4.244 -8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.137 -5.092 -8.413 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.069 -5.276 -6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.376 -2.907 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.374 -4.202 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.048 -4.091 -4.595 1.00 0.00 H new ATOM 788 N LYS A 55 -3.264 -3.170 -8.131 1.00 0.00 N ATOM 789 CA LYS A 55 -2.236 -3.354 -9.148 1.00 0.00 C ATOM 790 C LYS A 55 -0.998 -2.523 -8.828 1.00 0.00 C ATOM 791 O LYS A 55 -1.080 -1.513 -8.129 1.00 0.00 O ATOM 792 CB LYS A 55 -2.778 -2.970 -10.527 1.00 0.00 C ATOM 793 CG LYS A 55 -3.423 -4.127 -11.271 1.00 0.00 C ATOM 794 CD LYS A 55 -3.752 -3.752 -12.706 1.00 0.00 C ATOM 795 CE LYS A 55 -4.866 -2.718 -12.771 1.00 0.00 C ATOM 796 NZ LYS A 55 -6.200 -3.322 -12.498 1.00 0.00 N ATOM 0 H LYS A 55 -3.594 -2.210 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.953 -4.407 -9.156 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.510 -2.171 -10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.963 -2.570 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.752 -4.986 -11.263 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.334 -4.430 -10.755 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.860 -3.359 -13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.050 -4.644 -13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.670 -1.927 -12.047 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.873 -2.253 -13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.945 -2.630 -12.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.327 -4.166 -13.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.260 -3.592 -11.495 1.00 0.00 H new ATOM 810 N VAL A 56 0.149 -2.954 -9.344 1.00 0.00 N ATOM 811 CA VAL A 56 1.404 -2.247 -9.115 1.00 0.00 C ATOM 812 C VAL A 56 2.222 -2.151 -10.397 1.00 0.00 C ATOM 813 O VAL A 56 2.780 -3.142 -10.866 1.00 0.00 O ATOM 814 CB VAL A 56 2.249 -2.942 -8.030 1.00 0.00 C ATOM 815 CG1 VAL A 56 3.567 -2.210 -7.830 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.473 -3.028 -6.725 1.00 0.00 C ATOM 0 H VAL A 56 0.235 -3.789 -9.923 1.00 0.00 H new ATOM 0 HA VAL A 56 1.146 -1.244 -8.777 1.00 0.00 H new ATOM 0 HB VAL A 56 2.471 -3.957 -8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.150 -2.715 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.127 -2.206 -8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.370 -1.184 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.085 -3.522 -5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.218 -2.024 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.559 -3.600 -6.882 1.00 0.00 H new ATOM 826 N ASN A 57 2.290 -0.949 -10.960 1.00 0.00 N ATOM 827 CA ASN A 57 3.041 -0.722 -12.190 1.00 0.00 C ATOM 828 C ASN A 57 2.461 -1.539 -13.340 1.00 0.00 C ATOM 829 O ASN A 57 3.182 -1.952 -14.247 1.00 0.00 O ATOM 830 CB ASN A 57 4.514 -1.082 -11.986 1.00 0.00 C ATOM 831 CG ASN A 57 5.424 -0.373 -12.971 1.00 0.00 C ATOM 832 OD1 ASN A 57 5.001 0.003 -14.064 1.00 0.00 O ATOM 833 ND2 ASN A 57 6.682 -0.188 -12.586 1.00 0.00 N ATOM 0 H ASN A 57 1.834 -0.117 -10.584 1.00 0.00 H new ATOM 0 HA ASN A 57 2.964 0.335 -12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.811 -0.823 -10.970 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.640 -2.160 -12.090 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.341 0.283 -13.206 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.989 -0.517 -11.670 1.00 0.00 H new ATOM 840 N GLY A 58 1.152 -1.767 -13.296 1.00 0.00 N ATOM 841 CA GLY A 58 0.497 -2.533 -14.339 1.00 0.00 C ATOM 842 C GLY A 58 0.291 -3.984 -13.952 1.00 0.00 C ATOM 843 O GLY A 58 -0.692 -4.609 -14.352 1.00 0.00 O ATOM 0 H GLY A 58 0.534 -1.435 -12.556 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.468 -2.080 -14.566 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.094 -2.485 -15.250 1.00 0.00 H new ATOM 847 N THR A 59 1.221 -4.524 -13.171 1.00 0.00 N ATOM 848 CA THR A 59 1.139 -5.911 -12.731 1.00 0.00 C ATOM 849 C THR A 59 0.026 -6.098 -11.706 1.00 0.00 C ATOM 850 O THR A 59 -0.312 -5.173 -10.969 1.00 0.00 O ATOM 851 CB THR A 59 2.471 -6.386 -12.119 1.00 0.00 C ATOM 852 OG1 THR A 59 3.564 -5.986 -12.953 1.00 0.00 O ATOM 853 CG2 THR A 59 2.480 -7.898 -11.952 1.00 0.00 C ATOM 0 H THR A 59 2.040 -4.021 -12.830 1.00 0.00 H new ATOM 0 HA THR A 59 0.920 -6.510 -13.615 1.00 0.00 H new ATOM 0 HB THR A 59 2.579 -5.927 -11.136 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.407 -6.290 -12.556 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.430 -8.211 -11.518 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.665 -8.196 -11.293 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.352 -8.372 -12.925 1.00 0.00 H new ATOM 861 N MET A 60 -0.538 -7.301 -11.666 1.00 0.00 N ATOM 862 CA MET A 60 -1.613 -7.609 -10.729 1.00 0.00 C ATOM 863 C MET A 60 -1.072 -8.335 -9.501 1.00 0.00 C ATOM 864 O MET A 60 -0.781 -9.530 -9.553 1.00 0.00 O ATOM 865 CB MET A 60 -2.683 -8.463 -11.410 1.00 0.00 C ATOM 866 CG MET A 60 -3.526 -7.694 -12.415 1.00 0.00 C ATOM 867 SD MET A 60 -4.984 -8.611 -12.945 1.00 0.00 S ATOM 868 CE MET A 60 -5.963 -8.588 -11.445 1.00 0.00 C ATOM 0 H MET A 60 -0.269 -8.077 -12.270 1.00 0.00 H new ATOM 0 HA MET A 60 -2.060 -6.669 -10.406 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.201 -9.299 -11.917 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.337 -8.887 -10.648 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.838 -6.748 -11.973 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.916 -7.454 -13.286 1.00 0.00 H new ATOM 0 HE1 MET A 60 -7.012 -8.751 -11.693 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.621 -9.377 -10.775 1.00 0.00 H new ATOM 0 HE3 MET A 60 -5.852 -7.622 -10.953 1.00 0.00 H new ATOM 878 N VAL A 61 -0.939 -7.605 -8.398 1.00 0.00 N ATOM 879 CA VAL A 61 -0.433 -8.180 -7.157 1.00 0.00 C ATOM 880 C VAL A 61 -1.576 -8.569 -6.227 1.00 0.00 C ATOM 881 O VAL A 61 -1.456 -8.476 -5.004 1.00 0.00 O ATOM 882 CB VAL A 61 0.500 -7.199 -6.424 1.00 0.00 C ATOM 883 CG1 VAL A 61 1.664 -6.799 -7.318 1.00 0.00 C ATOM 884 CG2 VAL A 61 -0.273 -5.973 -5.961 1.00 0.00 C ATOM 0 H VAL A 61 -1.175 -6.614 -8.339 1.00 0.00 H new ATOM 0 HA VAL A 61 0.131 -9.072 -7.428 1.00 0.00 H new ATOM 0 HB VAL A 61 0.904 -7.699 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.312 -6.105 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.232 -7.687 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.282 -6.317 -8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.402 -5.291 -5.445 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.708 -5.469 -6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.068 -6.279 -5.281 1.00 0.00 H new ATOM 894 N THR A 62 -2.687 -9.006 -6.812 1.00 0.00 N ATOM 895 CA THR A 62 -3.853 -9.409 -6.036 1.00 0.00 C ATOM 896 C THR A 62 -3.607 -10.733 -5.322 1.00 0.00 C ATOM 897 O THR A 62 -4.094 -10.951 -4.214 1.00 0.00 O ATOM 898 CB THR A 62 -5.102 -9.543 -6.928 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.852 -10.478 -7.983 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.493 -8.197 -7.518 1.00 0.00 C ATOM 0 H THR A 62 -2.804 -9.090 -7.822 1.00 0.00 H new ATOM 0 HA THR A 62 -4.026 -8.628 -5.296 1.00 0.00 H new ATOM 0 HB THR A 62 -5.925 -9.904 -6.311 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.651 -10.559 -8.545 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.377 -8.317 -8.144 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.711 -7.496 -6.712 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.671 -7.812 -8.121 1.00 0.00 H new ATOM 908 N ASN A 63 -2.848 -11.615 -5.965 1.00 0.00 N ATOM 909 CA ASN A 63 -2.537 -12.918 -5.390 1.00 0.00 C ATOM 910 C ASN A 63 -1.125 -12.936 -4.813 1.00 0.00 C ATOM 911 O ASN A 63 -0.894 -13.465 -3.726 1.00 0.00 O ATOM 912 CB ASN A 63 -2.682 -14.013 -6.449 1.00 0.00 C ATOM 913 CG ASN A 63 -1.598 -13.940 -7.508 1.00 0.00 C ATOM 914 OD1 ASN A 63 -1.261 -12.860 -7.993 1.00 0.00 O ATOM 915 ND2 ASN A 63 -1.047 -15.093 -7.871 1.00 0.00 N ATOM 0 H ASN A 63 -2.437 -11.451 -6.884 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.242 -13.108 -4.581 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.649 -14.989 -5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.658 -13.927 -6.926 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -0.313 -15.107 -8.579 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.358 -15.964 -7.442 1.00 0.00 H new ATOM 922 N SER A 64 -0.184 -12.354 -5.550 1.00 0.00 N ATOM 923 CA SER A 64 1.207 -12.306 -5.113 1.00 0.00 C ATOM 924 C SER A 64 1.300 -11.936 -3.636 1.00 0.00 C ATOM 925 O SER A 64 0.441 -11.232 -3.105 1.00 0.00 O ATOM 926 CB SER A 64 1.992 -11.296 -5.953 1.00 0.00 C ATOM 927 OG SER A 64 2.521 -11.905 -7.119 1.00 0.00 O ATOM 0 H SER A 64 -0.359 -11.910 -6.451 1.00 0.00 H new ATOM 0 HA SER A 64 1.640 -13.297 -5.249 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.341 -10.468 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.803 -10.876 -5.358 1.00 0.00 H new ATOM 0 HG SER A 64 3.017 -11.239 -7.640 1.00 0.00 H new ATOM 933 N SER A 65 2.349 -12.418 -2.977 1.00 0.00 N ATOM 934 CA SER A 65 2.554 -12.142 -1.560 1.00 0.00 C ATOM 935 C SER A 65 3.301 -10.826 -1.365 1.00 0.00 C ATOM 936 O SER A 65 3.983 -10.346 -2.270 1.00 0.00 O ATOM 937 CB SER A 65 3.332 -13.285 -0.904 1.00 0.00 C ATOM 938 OG SER A 65 4.598 -13.457 -1.516 1.00 0.00 O ATOM 0 H SER A 65 3.070 -13.001 -3.402 1.00 0.00 H new ATOM 0 HA SER A 65 1.576 -12.058 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.463 -13.077 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.759 -14.209 -0.980 1.00 0.00 H new ATOM 0 HG SER A 65 5.076 -14.192 -1.078 1.00 0.00 H new ATOM 944 N HIS A 66 3.166 -10.247 -0.176 1.00 0.00 N ATOM 945 CA HIS A 66 3.827 -8.987 0.140 1.00 0.00 C ATOM 946 C HIS A 66 5.260 -8.979 -0.384 1.00 0.00 C ATOM 947 O HIS A 66 5.687 -8.027 -1.039 1.00 0.00 O ATOM 948 CB HIS A 66 3.823 -8.748 1.651 1.00 0.00 C ATOM 949 CG HIS A 66 4.644 -7.569 2.074 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.274 -7.491 3.298 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.937 -6.417 1.427 1.00 0.00 C ATOM 952 CE1 HIS A 66 5.918 -6.341 3.386 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.730 -5.671 2.263 1.00 0.00 N ATOM 0 H HIS A 66 2.605 -10.631 0.584 1.00 0.00 H new ATOM 0 HA HIS A 66 3.275 -8.184 -0.348 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.796 -8.603 1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 66 4.198 -9.640 2.152 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.608 -6.137 0.437 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.499 -6.006 4.232 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.112 -4.749 2.052 1.00 0.00 H new ATOM 962 N LEU A 67 5.998 -10.043 -0.090 1.00 0.00 N ATOM 963 CA LEU A 67 7.384 -10.159 -0.531 1.00 0.00 C ATOM 964 C LEU A 67 7.488 -10.004 -2.045 1.00 0.00 C ATOM 965 O LEU A 67 8.380 -9.322 -2.548 1.00 0.00 O ATOM 966 CB LEU A 67 7.965 -11.508 -0.104 1.00 0.00 C ATOM 967 CG LEU A 67 9.472 -11.682 -0.298 1.00 0.00 C ATOM 968 CD1 LEU A 67 10.240 -10.776 0.652 1.00 0.00 C ATOM 969 CD2 LEU A 67 9.872 -13.136 -0.093 1.00 0.00 C ATOM 0 H LEU A 67 5.660 -10.838 0.452 1.00 0.00 H new ATOM 0 HA LEU A 67 7.957 -9.359 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.734 -11.663 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.454 -12.294 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 67 9.723 -11.398 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.311 -10.913 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.976 -9.737 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.985 -11.028 1.681 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.948 -13.241 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.607 -13.447 0.918 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.348 -13.763 -0.815 1.00 0.00 H new ATOM 981 N GLU A 68 6.569 -10.641 -2.765 1.00 0.00 N ATOM 982 CA GLU A 68 6.558 -10.572 -4.221 1.00 0.00 C ATOM 983 C GLU A 68 6.237 -9.157 -4.697 1.00 0.00 C ATOM 984 O GLU A 68 6.578 -8.774 -5.816 1.00 0.00 O ATOM 985 CB GLU A 68 5.537 -11.558 -4.793 1.00 0.00 C ATOM 986 CG GLU A 68 5.863 -13.012 -4.497 1.00 0.00 C ATOM 987 CD GLU A 68 6.730 -13.645 -5.567 1.00 0.00 C ATOM 988 OE1 GLU A 68 6.220 -13.871 -6.685 1.00 0.00 O ATOM 989 OE2 GLU A 68 7.917 -13.914 -5.288 1.00 0.00 O ATOM 0 H GLU A 68 5.824 -11.210 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 68 7.552 -10.840 -4.579 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.553 -11.325 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.477 -11.420 -5.873 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.373 -13.078 -3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.935 -13.577 -4.405 1.00 0.00 H new ATOM 996 N VAL A 69 5.578 -8.386 -3.838 1.00 0.00 N ATOM 997 CA VAL A 69 5.211 -7.014 -4.168 1.00 0.00 C ATOM 998 C VAL A 69 6.355 -6.052 -3.870 1.00 0.00 C ATOM 999 O VAL A 69 6.521 -5.039 -4.548 1.00 0.00 O ATOM 1000 CB VAL A 69 3.960 -6.565 -3.390 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.487 -5.205 -3.878 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.853 -7.601 -3.517 1.00 0.00 C ATOM 0 H VAL A 69 5.287 -8.688 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 69 4.992 -6.993 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 69 4.222 -6.475 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.602 -4.905 -3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.278 -4.470 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.241 -5.264 -4.938 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.977 -7.267 -2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.590 -7.726 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.198 -8.553 -3.113 1.00 0.00 H new ATOM 1012 N VAL A 70 7.142 -6.376 -2.849 1.00 0.00 N ATOM 1013 CA VAL A 70 8.273 -5.542 -2.460 1.00 0.00 C ATOM 1014 C VAL A 70 9.239 -5.348 -3.624 1.00 0.00 C ATOM 1015 O VAL A 70 9.446 -4.230 -4.095 1.00 0.00 O ATOM 1016 CB VAL A 70 9.036 -6.150 -1.269 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.258 -5.308 -0.932 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.120 -6.283 -0.062 1.00 0.00 C ATOM 0 H VAL A 70 7.017 -7.211 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 70 7.866 -4.575 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 70 9.377 -7.147 -1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.785 -5.753 -0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.923 -5.270 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.943 -4.298 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.676 -6.714 0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.747 -5.299 0.222 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.280 -6.931 -0.312 1.00 0.00 H new ATOM 1028 N LYS A 71 9.829 -6.446 -4.085 1.00 0.00 N ATOM 1029 CA LYS A 71 10.772 -6.400 -5.195 1.00 0.00 C ATOM 1030 C LYS A 71 10.246 -5.514 -6.320 1.00 0.00 C ATOM 1031 O LYS A 71 11.016 -4.832 -6.998 1.00 0.00 O ATOM 1032 CB LYS A 71 11.038 -7.811 -5.725 1.00 0.00 C ATOM 1033 CG LYS A 71 9.797 -8.501 -6.266 1.00 0.00 C ATOM 1034 CD LYS A 71 10.151 -9.539 -7.318 1.00 0.00 C ATOM 1035 CE LYS A 71 10.749 -10.788 -6.688 1.00 0.00 C ATOM 1036 NZ LYS A 71 9.697 -11.710 -6.178 1.00 0.00 N ATOM 0 H LYS A 71 9.670 -7.380 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 71 11.706 -5.975 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.788 -7.758 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.461 -8.417 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.260 -8.980 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.125 -7.759 -6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.258 -9.807 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.860 -9.113 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.362 -11.308 -7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.409 -10.501 -5.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.851 -11.886 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.761 -11.279 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.743 -12.610 -6.697 1.00 0.00 H new ATOM 1050 N LEU A 72 8.932 -5.527 -6.511 1.00 0.00 N ATOM 1051 CA LEU A 72 8.302 -4.723 -7.553 1.00 0.00 C ATOM 1052 C LEU A 72 8.373 -3.238 -7.212 1.00 0.00 C ATOM 1053 O LEU A 72 8.761 -2.418 -8.044 1.00 0.00 O ATOM 1054 CB LEU A 72 6.845 -5.147 -7.741 1.00 0.00 C ATOM 1055 CG LEU A 72 6.608 -6.351 -8.653 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.119 -6.584 -8.853 1.00 0.00 C ATOM 1057 CD2 LEU A 72 7.302 -6.150 -9.993 1.00 0.00 C ATOM 0 H LEU A 72 8.282 -6.085 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 72 8.844 -4.889 -8.484 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.423 -5.370 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.290 -4.299 -8.141 1.00 0.00 H new ATOM 0 HG LEU A 72 7.032 -7.234 -8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.970 -7.445 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.648 -6.773 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.671 -5.701 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.123 -7.017 -10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.907 -5.257 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.374 -6.033 -9.834 1.00 0.00 H new ATOM 1069 N ILE A 73 7.996 -2.900 -5.983 1.00 0.00 N ATOM 1070 CA ILE A 73 8.019 -1.515 -5.531 1.00 0.00 C ATOM 1071 C ILE A 73 9.437 -0.953 -5.555 1.00 0.00 C ATOM 1072 O ILE A 73 9.677 0.135 -6.080 1.00 0.00 O ATOM 1073 CB ILE A 73 7.448 -1.377 -4.108 1.00 0.00 C ATOM 1074 CG1 ILE A 73 5.968 -1.765 -4.089 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.636 0.044 -3.597 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.463 -2.155 -2.717 1.00 0.00 C ATOM 0 H ILE A 73 7.671 -3.567 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 73 7.394 -0.948 -6.220 1.00 0.00 H new ATOM 0 HB ILE A 73 7.990 -2.054 -3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.377 -0.928 -4.461 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.810 -2.597 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.227 0.126 -2.590 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.699 0.286 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.117 0.739 -4.257 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.407 -2.418 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.029 -3.012 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.589 -1.317 -2.031 1.00 0.00 H new ATOM 1088 N LYS A 74 10.374 -1.702 -4.983 1.00 0.00 N ATOM 1089 CA LYS A 74 11.769 -1.282 -4.941 1.00 0.00 C ATOM 1090 C LYS A 74 12.502 -1.698 -6.212 1.00 0.00 C ATOM 1091 O LYS A 74 13.554 -2.336 -6.153 1.00 0.00 O ATOM 1092 CB LYS A 74 12.467 -1.881 -3.717 1.00 0.00 C ATOM 1093 CG LYS A 74 12.427 -3.399 -3.678 1.00 0.00 C ATOM 1094 CD LYS A 74 13.638 -3.969 -2.958 1.00 0.00 C ATOM 1095 CE LYS A 74 13.507 -3.826 -1.449 1.00 0.00 C ATOM 1096 NZ LYS A 74 13.945 -2.483 -0.979 1.00 0.00 N ATOM 0 H LYS A 74 10.192 -2.604 -4.542 1.00 0.00 H new ATOM 0 HA LYS A 74 11.793 -0.195 -4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.506 -1.553 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.998 -1.490 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.516 -3.727 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.390 -3.789 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.754 -5.022 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.539 -3.457 -3.296 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.470 -3.992 -1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.104 -4.595 -0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.294 -2.554 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 14.707 -2.131 -1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.141 -1.824 -1.013 1.00 0.00 H new ATOM 1110 N SER A 75 11.941 -1.333 -7.360 1.00 0.00 N ATOM 1111 CA SER A 75 12.541 -1.671 -8.646 1.00 0.00 C ATOM 1112 C SER A 75 13.117 -0.429 -9.319 1.00 0.00 C ATOM 1113 O SER A 75 14.250 -0.440 -9.800 1.00 0.00 O ATOM 1114 CB SER A 75 11.503 -2.326 -9.560 1.00 0.00 C ATOM 1115 OG SER A 75 11.964 -2.378 -10.899 1.00 0.00 O ATOM 0 H SER A 75 11.072 -0.803 -7.426 1.00 0.00 H new ATOM 0 HA SER A 75 13.353 -2.376 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.287 -3.334 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.569 -1.766 -9.515 1.00 0.00 H new ATOM 0 HG SER A 75 11.284 -2.802 -11.463 1.00 0.00 H new ATOM 1121 N GLY A 76 12.328 0.640 -9.350 1.00 0.00 N ATOM 1122 CA GLY A 76 12.776 1.875 -9.967 1.00 0.00 C ATOM 1123 C GLY A 76 12.638 3.068 -9.042 1.00 0.00 C ATOM 1124 O GLY A 76 12.290 2.918 -7.872 1.00 0.00 O ATOM 0 H GLY A 76 11.387 0.673 -8.959 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.819 1.770 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.200 2.054 -10.875 1.00 0.00 H new ATOM 1128 N ALA A 77 12.914 4.257 -9.568 1.00 0.00 N ATOM 1129 CA ALA A 77 12.819 5.481 -8.782 1.00 0.00 C ATOM 1130 C ALA A 77 11.476 5.569 -8.064 1.00 0.00 C ATOM 1131 O ALA A 77 11.422 5.748 -6.847 1.00 0.00 O ATOM 1132 CB ALA A 77 13.024 6.698 -9.672 1.00 0.00 C ATOM 0 H ALA A 77 13.205 4.398 -10.535 1.00 0.00 H new ATOM 0 HA ALA A 77 13.605 5.460 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.950 7.605 -9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 77 14.010 6.648 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.259 6.714 -10.448 1.00 0.00 H new ATOM 1138 N TYR A 78 10.394 5.443 -8.825 1.00 0.00 N ATOM 1139 CA TYR A 78 9.051 5.512 -8.261 1.00 0.00 C ATOM 1140 C TYR A 78 8.254 4.256 -8.600 1.00 0.00 C ATOM 1141 O TYR A 78 8.733 3.375 -9.313 1.00 0.00 O ATOM 1142 CB TYR A 78 8.320 6.750 -8.782 1.00 0.00 C ATOM 1143 CG TYR A 78 8.463 6.956 -10.273 1.00 0.00 C ATOM 1144 CD1 TYR A 78 7.925 6.045 -11.174 1.00 0.00 C ATOM 1145 CD2 TYR A 78 9.137 8.060 -10.780 1.00 0.00 C ATOM 1146 CE1 TYR A 78 8.054 6.229 -12.537 1.00 0.00 C ATOM 1147 CE2 TYR A 78 9.269 8.252 -12.142 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.727 7.334 -13.016 1.00 0.00 C ATOM 1149 OH TYR A 78 8.858 7.521 -14.373 1.00 0.00 O ATOM 0 H TYR A 78 10.421 5.293 -9.833 1.00 0.00 H new ATOM 0 HA TYR A 78 9.142 5.582 -7.177 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.262 6.667 -8.535 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.700 7.631 -8.264 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.397 5.179 -10.803 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.565 8.780 -10.098 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.630 5.512 -13.224 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.794 9.117 -12.520 1.00 0.00 H new ATOM 0 HH TYR A 78 9.357 8.347 -14.543 1.00 0.00 H new ATOM 1159 N VAL A 79 7.031 4.182 -8.082 1.00 0.00 N ATOM 1160 CA VAL A 79 6.164 3.036 -8.330 1.00 0.00 C ATOM 1161 C VAL A 79 4.702 3.461 -8.409 1.00 0.00 C ATOM 1162 O VAL A 79 4.244 4.294 -7.628 1.00 0.00 O ATOM 1163 CB VAL A 79 6.319 1.968 -7.232 1.00 0.00 C ATOM 1164 CG1 VAL A 79 6.070 2.573 -5.859 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.378 0.800 -7.489 1.00 0.00 C ATOM 0 H VAL A 79 6.619 4.902 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 79 6.467 2.609 -9.286 1.00 0.00 H new ATOM 0 HB VAL A 79 7.342 1.593 -7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.184 1.803 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.788 3.372 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.059 2.978 -5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.501 0.054 -6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.348 1.157 -7.493 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.610 0.351 -8.455 1.00 0.00 H new ATOM 1175 N ALA A 80 3.974 2.881 -9.357 1.00 0.00 N ATOM 1176 CA ALA A 80 2.562 3.197 -9.537 1.00 0.00 C ATOM 1177 C ALA A 80 1.682 2.265 -8.710 1.00 0.00 C ATOM 1178 O ALA A 80 1.464 1.111 -9.080 1.00 0.00 O ATOM 1179 CB ALA A 80 2.186 3.114 -11.009 1.00 0.00 C ATOM 0 H ALA A 80 4.338 2.190 -10.012 1.00 0.00 H new ATOM 0 HA ALA A 80 2.395 4.216 -9.188 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.129 3.352 -11.129 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.785 3.825 -11.578 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.374 2.105 -11.376 1.00 0.00 H new ATOM 1185 N LEU A 81 1.180 2.773 -7.590 1.00 0.00 N ATOM 1186 CA LEU A 81 0.323 1.986 -6.710 1.00 0.00 C ATOM 1187 C LEU A 81 -1.148 2.319 -6.941 1.00 0.00 C ATOM 1188 O LEU A 81 -1.562 3.472 -6.815 1.00 0.00 O ATOM 1189 CB LEU A 81 0.691 2.239 -5.247 1.00 0.00 C ATOM 1190 CG LEU A 81 2.078 1.763 -4.813 1.00 0.00 C ATOM 1191 CD1 LEU A 81 2.465 2.391 -3.483 1.00 0.00 C ATOM 1192 CD2 LEU A 81 2.116 0.245 -4.720 1.00 0.00 C ATOM 0 H LEU A 81 1.351 3.726 -7.270 1.00 0.00 H new ATOM 0 HA LEU A 81 0.478 0.932 -6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.619 3.310 -5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.053 1.752 -4.616 1.00 0.00 H new ATOM 0 HG LEU A 81 2.802 2.079 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.455 2.041 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.479 3.476 -3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.739 2.106 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.111 -0.076 -4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.381 -0.093 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.883 -0.185 -5.694 1.00 0.00 H new ATOM 1204 N THR A 82 -1.934 1.301 -7.278 1.00 0.00 N ATOM 1205 CA THR A 82 -3.359 1.486 -7.525 1.00 0.00 C ATOM 1206 C THR A 82 -4.179 1.164 -6.281 1.00 0.00 C ATOM 1207 O THR A 82 -4.469 0.001 -6.000 1.00 0.00 O ATOM 1208 CB THR A 82 -3.845 0.602 -8.689 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.147 0.947 -9.891 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.343 0.766 -8.903 1.00 0.00 C ATOM 0 H THR A 82 -1.608 0.341 -7.386 1.00 0.00 H new ATOM 0 HA THR A 82 -3.501 2.534 -7.789 1.00 0.00 H new ATOM 0 HB THR A 82 -3.641 -0.438 -8.436 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.841 1.876 -9.836 1.00 0.00 H new ATOM 0 HG21 THR A 82 -5.664 0.132 -9.730 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.874 0.476 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.565 1.807 -9.136 1.00 0.00 H new ATOM 1218 N LEU A 83 -4.550 2.201 -5.538 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.338 2.029 -4.323 1.00 0.00 C ATOM 1220 C LEU A 83 -6.829 1.998 -4.641 1.00 0.00 C ATOM 1221 O LEU A 83 -7.271 2.545 -5.652 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.039 3.157 -3.334 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.573 3.574 -3.214 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.437 4.797 -2.320 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -2.733 2.423 -2.679 1.00 0.00 C ATOM 0 H LEU A 83 -4.318 3.170 -5.756 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.062 1.076 -3.872 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.622 4.031 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.391 2.852 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.207 3.833 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.387 5.079 -2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.006 5.624 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.821 4.566 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.692 2.738 -2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.100 2.132 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.805 1.574 -3.359 1.00 0.00 H new ATOM 1237 N LEU A 84 -7.601 1.357 -3.771 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.045 1.257 -3.957 1.00 0.00 C ATOM 1239 C LEU A 84 -9.784 1.547 -2.655 1.00 0.00 C ATOM 1240 O LEU A 84 -9.497 0.947 -1.620 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.417 -0.136 -4.469 1.00 0.00 C ATOM 1242 CG LEU A 84 -10.911 -0.462 -4.502 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.648 0.508 -5.413 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -11.134 -1.897 -4.956 1.00 0.00 C ATOM 0 H LEU A 84 -7.252 0.898 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.344 2.001 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.018 -0.249 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.918 -0.876 -3.844 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.309 -0.356 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.710 0.261 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.516 1.525 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.247 0.434 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.203 -2.111 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.721 -2.031 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.639 -2.579 -4.264 1.00 0.00 H new ATOM 1256 N GLY A 85 -10.738 2.470 -2.715 1.00 0.00 N ATOM 1257 CA GLY A 85 -11.505 2.822 -1.534 1.00 0.00 C ATOM 1258 C GLY A 85 -11.144 4.192 -0.995 1.00 0.00 C ATOM 1259 O GLY A 85 -10.516 4.307 0.057 1.00 0.00 O ATOM 0 H GLY A 85 -10.994 2.981 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.568 2.798 -1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.337 2.074 -0.759 1.00 0.00 H new ATOM 1263 N SER A 86 -11.540 5.234 -1.719 1.00 0.00 N ATOM 1264 CA SER A 86 -11.249 6.604 -1.310 1.00 0.00 C ATOM 1265 C SER A 86 -12.476 7.255 -0.680 1.00 0.00 C ATOM 1266 O SER A 86 -13.584 7.157 -1.207 1.00 0.00 O ATOM 1267 CB SER A 86 -10.780 7.428 -2.511 1.00 0.00 C ATOM 1268 OG SER A 86 -11.726 7.377 -3.565 1.00 0.00 O ATOM 0 H SER A 86 -12.063 5.156 -2.591 1.00 0.00 H new ATOM 0 HA SER A 86 -10.453 6.574 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.625 8.463 -2.207 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.819 7.051 -2.862 1.00 0.00 H new ATOM 0 HG SER A 86 -11.404 7.913 -4.320 1.00 0.00 H new ATOM 1274 N SER A 87 -12.270 7.919 0.453 1.00 0.00 N ATOM 1275 CA SER A 87 -13.359 8.584 1.158 1.00 0.00 C ATOM 1276 C SER A 87 -13.508 10.029 0.691 1.00 0.00 C ATOM 1277 O SER A 87 -14.609 10.482 0.380 1.00 0.00 O ATOM 1278 CB SER A 87 -13.114 8.547 2.668 1.00 0.00 C ATOM 1279 OG SER A 87 -11.727 8.552 2.960 1.00 0.00 O ATOM 0 H SER A 87 -11.359 8.011 0.902 1.00 0.00 H new ATOM 0 HA SER A 87 -14.283 8.051 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.591 9.407 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.575 7.655 3.093 1.00 0.00 H new ATOM 0 HG SER A 87 -11.597 8.530 3.931 1.00 0.00 H new ATOM 1285 N SER A 88 -12.390 10.747 0.645 1.00 0.00 N ATOM 1286 CA SER A 88 -12.395 12.142 0.220 1.00 0.00 C ATOM 1287 C SER A 88 -13.518 12.915 0.905 1.00 0.00 C ATOM 1288 O SER A 88 -14.282 13.627 0.255 1.00 0.00 O ATOM 1289 CB SER A 88 -12.551 12.233 -1.300 1.00 0.00 C ATOM 1290 OG SER A 88 -13.817 11.749 -1.713 1.00 0.00 O ATOM 0 H SER A 88 -11.470 10.386 0.897 1.00 0.00 H new ATOM 0 HA SER A 88 -11.443 12.588 0.508 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.432 13.268 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.762 11.657 -1.785 1.00 0.00 H new ATOM 0 HG SER A 88 -14.325 11.451 -0.930 1.00 0.00 H new ATOM 1296 N GLY A 89 -13.612 12.767 2.223 1.00 0.00 N ATOM 1297 CA GLY A 89 -14.644 13.456 2.975 1.00 0.00 C ATOM 1298 C GLY A 89 -14.217 14.846 3.405 1.00 0.00 C ATOM 1299 O GLY A 89 -13.040 15.109 3.651 1.00 0.00 O ATOM 0 H GLY A 89 -12.992 12.182 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.546 13.528 2.367 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.900 12.869 3.857 1.00 0.00 H new ATOM 1303 N PRO A 90 -15.190 15.765 3.500 1.00 0.00 N ATOM 1304 CA PRO A 90 -14.933 17.151 3.903 1.00 0.00 C ATOM 1305 C PRO A 90 -14.547 17.265 5.374 1.00 0.00 C ATOM 1306 O PRO A 90 -13.625 18.000 5.728 1.00 0.00 O ATOM 1307 CB PRO A 90 -16.271 17.848 3.646 1.00 0.00 C ATOM 1308 CG PRO A 90 -17.288 16.764 3.737 1.00 0.00 C ATOM 1309 CD PRO A 90 -16.615 15.521 3.223 1.00 0.00 C ATOM 0 HA PRO A 90 -14.097 17.587 3.356 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.458 18.629 4.383 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.287 18.324 2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -17.624 16.629 4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -18.169 17.005 3.143 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.976 14.628 3.733 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.798 15.376 2.158 1.00 0.00 H new ATOM 1317 N SER A 91 -15.257 16.533 6.226 1.00 0.00 N ATOM 1318 CA SER A 91 -14.990 16.555 7.659 1.00 0.00 C ATOM 1319 C SER A 91 -15.489 15.276 8.325 1.00 0.00 C ATOM 1320 O SER A 91 -16.633 14.866 8.128 1.00 0.00 O ATOM 1321 CB SER A 91 -15.656 17.772 8.305 1.00 0.00 C ATOM 1322 OG SER A 91 -15.193 17.964 9.630 1.00 0.00 O ATOM 0 H SER A 91 -16.022 15.917 5.949 1.00 0.00 H new ATOM 0 HA SER A 91 -13.911 16.621 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.448 18.662 7.711 1.00 0.00 H new ATOM 0 HB3 SER A 91 -16.738 17.638 8.310 1.00 0.00 H new ATOM 0 HG SER A 91 -15.632 18.749 10.020 1.00 0.00 H new ATOM 1328 N SER A 92 -14.621 14.650 9.113 1.00 0.00 N ATOM 1329 CA SER A 92 -14.970 13.414 9.805 1.00 0.00 C ATOM 1330 C SER A 92 -15.740 13.710 11.089 1.00 0.00 C ATOM 1331 O SER A 92 -15.153 13.839 12.162 1.00 0.00 O ATOM 1332 CB SER A 92 -13.709 12.611 10.127 1.00 0.00 C ATOM 1333 OG SER A 92 -12.828 13.353 10.951 1.00 0.00 O ATOM 0 H SER A 92 -13.671 14.978 9.288 1.00 0.00 H new ATOM 0 HA SER A 92 -15.608 12.825 9.146 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.984 11.682 10.627 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.202 12.337 9.202 1.00 0.00 H new ATOM 0 HG SER A 92 -13.339 13.800 11.658 1.00 0.00 H new ATOM 1339 N GLY A 93 -17.060 13.816 10.969 1.00 0.00 N ATOM 1340 CA GLY A 93 -17.890 14.096 12.127 1.00 0.00 C ATOM 1341 C GLY A 93 -18.139 12.863 12.973 1.00 0.00 C ATOM 1342 O GLY A 93 -17.717 12.798 14.127 1.00 0.00 O ATOM 0 H GLY A 93 -17.569 13.713 10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -17.410 14.861 12.738 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -18.845 14.505 11.796 1.00 0.00 H new TER 1346 GLY A 93