USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 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 25 THR OG1 : rot -95:sc= 0.198 USER MOD Set 1.2: A 28 GLN : amide:sc= 0.242 K(o=0.44,f=-3!) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0793 (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 7:sc= 0.129! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -50:sc= 0.579 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.664 X(o=-0.66,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -140:sc= 0 USER MOD Single : A 40 SER OG : rot -86:sc= 2.22 USER MOD Single : A 41 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.098) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 45 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.616) USER MOD Single : A 46 MET CE :methyl 153:sc= -2.32! (180deg=-4.36!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -1.74! K(o=-1.7!,f=-0.47) USER MOD Single : A 57 LYS NZ :NH3+ 138:sc= -2.12! (180deg=-4.51!) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0149 (180deg=-0.165) USER MOD Single : A 62 GLN : amide:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -3.03! C(o=-3!,f=-1.6!) USER MOD Single : A 68 THR OG1 : rot 74:sc= 1.2 USER MOD Single : A 74 LYS NZ :NH3+ 149:sc= -0.221 (180deg=-1.13) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.715 1.111 -13.549 1.00 0.00 N ATOM 2 CA GLY A 1 9.569 1.906 -13.953 1.00 0.00 C ATOM 3 C GLY A 1 9.343 1.877 -15.451 1.00 0.00 C ATOM 4 O GLY A 1 9.948 1.075 -16.162 1.00 0.00 O ATOM 0 H1 GLY A 1 10.421 0.418 -12.831 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.100 0.611 -14.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.446 1.734 -13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.677 1.536 -13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.714 2.937 -13.630 1.00 0.00 H new ATOM 8 N SER A 2 8.466 2.753 -15.933 1.00 0.00 N ATOM 9 CA SER A 2 8.157 2.821 -17.356 1.00 0.00 C ATOM 10 C SER A 2 7.634 1.481 -17.863 1.00 0.00 C ATOM 11 O SER A 2 8.033 1.009 -18.928 1.00 0.00 O ATOM 12 CB SER A 2 9.398 3.231 -18.150 1.00 0.00 C ATOM 13 OG SER A 2 9.040 3.823 -19.387 1.00 0.00 O ATOM 0 H SER A 2 7.957 3.425 -15.358 1.00 0.00 H new ATOM 0 HA SER A 2 7.380 3.572 -17.498 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.992 3.934 -17.565 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.024 2.357 -18.329 1.00 0.00 H new ATOM 0 HG SER A 2 9.851 4.078 -19.875 1.00 0.00 H new ATOM 19 N SER A 3 6.739 0.872 -17.092 1.00 0.00 N ATOM 20 CA SER A 3 6.163 -0.416 -17.460 1.00 0.00 C ATOM 21 C SER A 3 5.531 -0.353 -18.847 1.00 0.00 C ATOM 22 O SER A 3 5.677 -1.273 -19.651 1.00 0.00 O ATOM 23 CB SER A 3 5.117 -0.844 -16.429 1.00 0.00 C ATOM 24 OG SER A 3 4.112 0.144 -16.283 1.00 0.00 O ATOM 0 H SER A 3 6.397 1.250 -16.208 1.00 0.00 H new ATOM 0 HA SER A 3 6.966 -1.153 -17.480 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.663 -1.786 -16.736 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.600 -1.021 -15.468 1.00 0.00 H new ATOM 0 HG SER A 3 3.454 -0.154 -15.620 1.00 0.00 H new ATOM 30 N GLY A 4 4.827 0.742 -19.121 1.00 0.00 N ATOM 31 CA GLY A 4 4.183 0.906 -20.410 1.00 0.00 C ATOM 32 C GLY A 4 2.677 1.032 -20.294 1.00 0.00 C ATOM 33 O GLY A 4 2.171 1.963 -19.668 1.00 0.00 O ATOM 0 H GLY A 4 4.692 1.518 -18.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.582 1.793 -20.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.425 0.054 -21.045 1.00 0.00 H new ATOM 37 N SER A 5 1.958 0.093 -20.901 1.00 0.00 N ATOM 38 CA SER A 5 0.500 0.105 -20.868 1.00 0.00 C ATOM 39 C SER A 5 -0.011 0.046 -19.432 1.00 0.00 C ATOM 40 O SER A 5 0.383 -0.826 -18.657 1.00 0.00 O ATOM 41 CB SER A 5 -0.060 -1.071 -21.670 1.00 0.00 C ATOM 42 OG SER A 5 0.006 -2.274 -20.923 1.00 0.00 O ATOM 0 H SER A 5 2.361 -0.686 -21.422 1.00 0.00 H new ATOM 0 HA SER A 5 0.159 1.037 -21.319 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.094 -0.867 -21.947 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.502 -1.183 -22.597 1.00 0.00 H new ATOM 0 HG SER A 5 0.293 -2.075 -20.007 1.00 0.00 H new ATOM 48 N SER A 6 -0.890 0.980 -19.084 1.00 0.00 N ATOM 49 CA SER A 6 -1.453 1.037 -17.740 1.00 0.00 C ATOM 50 C SER A 6 -2.978 1.042 -17.789 1.00 0.00 C ATOM 51 O SER A 6 -3.634 0.212 -17.161 1.00 0.00 O ATOM 52 CB SER A 6 -0.951 2.282 -17.006 1.00 0.00 C ATOM 53 OG SER A 6 0.328 2.058 -16.438 1.00 0.00 O ATOM 0 H SER A 6 -1.228 1.708 -19.714 1.00 0.00 H new ATOM 0 HA SER A 6 -1.127 0.149 -17.199 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.903 3.122 -17.699 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.658 2.556 -16.222 1.00 0.00 H new ATOM 0 HG SER A 6 0.627 2.869 -15.976 1.00 0.00 H new ATOM 59 N GLY A 7 -3.536 1.986 -18.542 1.00 0.00 N ATOM 60 CA GLY A 7 -4.979 2.083 -18.660 1.00 0.00 C ATOM 61 C GLY A 7 -5.679 1.991 -17.318 1.00 0.00 C ATOM 62 O GLY A 7 -5.753 2.972 -16.581 1.00 0.00 O ATOM 0 H GLY A 7 -3.015 2.684 -19.072 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.239 3.028 -19.137 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.341 1.287 -19.311 1.00 0.00 H new ATOM 66 N GLY A 8 -6.195 0.807 -17.002 1.00 0.00 N ATOM 67 CA GLY A 8 -6.887 0.613 -15.741 1.00 0.00 C ATOM 68 C GLY A 8 -7.940 -0.474 -15.819 1.00 0.00 C ATOM 69 O GLY A 8 -9.110 -0.241 -15.511 1.00 0.00 O ATOM 0 H GLY A 8 -6.146 -0.021 -17.596 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.162 0.358 -14.968 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.357 1.549 -15.440 1.00 0.00 H new ATOM 73 N THR A 9 -7.527 -1.667 -16.235 1.00 0.00 N ATOM 74 CA THR A 9 -8.444 -2.794 -16.356 1.00 0.00 C ATOM 75 C THR A 9 -8.102 -3.891 -15.354 1.00 0.00 C ATOM 76 O THR A 9 -8.158 -5.077 -15.674 1.00 0.00 O ATOM 77 CB THR A 9 -8.421 -3.387 -17.777 1.00 0.00 C ATOM 78 OG1 THR A 9 -9.455 -4.368 -17.916 1.00 0.00 O ATOM 79 CG2 THR A 9 -7.071 -4.022 -18.076 1.00 0.00 C ATOM 0 H THR A 9 -6.563 -1.878 -16.494 1.00 0.00 H new ATOM 0 HA THR A 9 -9.443 -2.412 -16.146 1.00 0.00 H new ATOM 0 HB THR A 9 -8.591 -2.578 -18.487 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.411 -4.998 -17.167 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.078 -4.434 -19.085 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.289 -3.267 -17.998 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.878 -4.820 -17.359 1.00 0.00 H new ATOM 87 N GLY A 10 -7.749 -3.486 -14.137 1.00 0.00 N ATOM 88 CA GLY A 10 -7.404 -4.448 -13.107 1.00 0.00 C ATOM 89 C GLY A 10 -8.624 -5.007 -12.404 1.00 0.00 C ATOM 90 O GLY A 10 -9.296 -4.301 -11.653 1.00 0.00 O ATOM 0 H GLY A 10 -7.696 -2.510 -13.847 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.839 -5.266 -13.553 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.752 -3.973 -12.374 1.00 0.00 H new ATOM 94 N GLY A 11 -8.915 -6.282 -12.649 1.00 0.00 N ATOM 95 CA GLY A 11 -10.064 -6.914 -12.028 1.00 0.00 C ATOM 96 C GLY A 11 -9.778 -7.372 -10.612 1.00 0.00 C ATOM 97 O GLY A 11 -9.445 -6.563 -9.747 1.00 0.00 O ATOM 0 H GLY A 11 -8.375 -6.888 -13.267 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.899 -6.214 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.373 -7.770 -12.628 1.00 0.00 H new ATOM 101 N GLU A 12 -9.911 -8.674 -10.375 1.00 0.00 N ATOM 102 CA GLU A 12 -9.667 -9.237 -9.052 1.00 0.00 C ATOM 103 C GLU A 12 -8.824 -10.505 -9.148 1.00 0.00 C ATOM 104 O GLU A 12 -9.095 -11.382 -9.967 1.00 0.00 O ATOM 105 CB GLU A 12 -10.992 -9.544 -8.352 1.00 0.00 C ATOM 106 CG GLU A 12 -10.857 -9.735 -6.851 1.00 0.00 C ATOM 107 CD GLU A 12 -12.131 -9.393 -6.102 1.00 0.00 C ATOM 108 OE1 GLU A 12 -12.427 -8.188 -5.957 1.00 0.00 O ATOM 109 OE2 GLU A 12 -12.830 -10.328 -5.661 1.00 0.00 O ATOM 0 H GLU A 12 -10.186 -9.357 -11.081 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.118 -8.500 -8.467 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.692 -8.731 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.423 -10.446 -8.787 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.585 -10.770 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.044 -9.111 -6.481 1.00 0.00 H new ATOM 116 N GLU A 13 -7.799 -10.593 -8.305 1.00 0.00 N ATOM 117 CA GLU A 13 -6.916 -11.753 -8.296 1.00 0.00 C ATOM 118 C GLU A 13 -7.370 -12.775 -7.258 1.00 0.00 C ATOM 119 O GLU A 13 -7.853 -12.429 -6.179 1.00 0.00 O ATOM 120 CB GLU A 13 -5.476 -11.323 -8.008 1.00 0.00 C ATOM 121 CG GLU A 13 -5.265 -10.811 -6.593 1.00 0.00 C ATOM 122 CD GLU A 13 -5.787 -9.401 -6.399 1.00 0.00 C ATOM 123 OE1 GLU A 13 -5.708 -8.601 -7.354 1.00 0.00 O ATOM 124 OE2 GLU A 13 -6.276 -9.098 -5.290 1.00 0.00 O ATOM 0 H GLU A 13 -7.560 -9.875 -7.620 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.959 -12.218 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.811 -12.169 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.191 -10.543 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.764 -11.479 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.201 -10.836 -6.356 1.00 0.00 H new ATOM 131 N PRO A 14 -7.213 -14.065 -7.590 1.00 0.00 N ATOM 132 CA PRO A 14 -7.600 -15.164 -6.700 1.00 0.00 C ATOM 133 C PRO A 14 -6.695 -15.267 -5.478 1.00 0.00 C ATOM 134 O PRO A 14 -5.528 -14.879 -5.524 1.00 0.00 O ATOM 135 CB PRO A 14 -7.449 -16.405 -7.584 1.00 0.00 C ATOM 136 CG PRO A 14 -6.441 -16.019 -8.610 1.00 0.00 C ATOM 137 CD PRO A 14 -6.645 -14.550 -8.859 1.00 0.00 C ATOM 0 HA PRO A 14 -8.604 -15.029 -6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.114 -17.265 -7.005 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.398 -16.680 -8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.429 -16.218 -8.257 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.578 -16.593 -9.527 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.707 -14.049 -9.097 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.322 -14.374 -9.695 1.00 0.00 H new ATOM 145 N GLN A 15 -7.241 -15.793 -4.386 1.00 0.00 N ATOM 146 CA GLN A 15 -6.481 -15.946 -3.151 1.00 0.00 C ATOM 147 C GLN A 15 -5.434 -17.046 -3.289 1.00 0.00 C ATOM 148 O GLN A 15 -5.688 -18.204 -2.956 1.00 0.00 O ATOM 149 CB GLN A 15 -7.420 -16.263 -1.985 1.00 0.00 C ATOM 150 CG GLN A 15 -8.271 -17.503 -2.210 1.00 0.00 C ATOM 151 CD GLN A 15 -9.494 -17.540 -1.315 1.00 0.00 C ATOM 152 OE1 GLN A 15 -9.592 -16.787 -0.346 1.00 0.00 O ATOM 153 NE2 GLN A 15 -10.436 -18.420 -1.636 1.00 0.00 N ATOM 0 H GLN A 15 -8.206 -16.120 -4.331 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.969 -15.005 -2.950 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.829 -16.398 -1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.075 -15.409 -1.814 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.587 -17.538 -3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.666 -18.392 -2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.313 -19.025 -2.448 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.282 -18.491 -1.070 1.00 0.00 H new ATOM 162 N ARG A 16 -4.256 -16.677 -3.782 1.00 0.00 N ATOM 163 CA ARG A 16 -3.171 -17.633 -3.966 1.00 0.00 C ATOM 164 C ARG A 16 -1.828 -16.916 -4.075 1.00 0.00 C ATOM 165 O ARG A 16 -1.774 -15.691 -4.180 1.00 0.00 O ATOM 166 CB ARG A 16 -3.413 -18.478 -5.218 1.00 0.00 C ATOM 167 CG ARG A 16 -3.425 -17.670 -6.505 1.00 0.00 C ATOM 168 CD ARG A 16 -3.608 -18.563 -7.722 1.00 0.00 C ATOM 169 NE ARG A 16 -4.957 -19.116 -7.797 1.00 0.00 N ATOM 170 CZ ARG A 16 -5.418 -19.790 -8.845 1.00 0.00 C ATOM 171 NH1 ARG A 16 -4.642 -19.993 -9.900 1.00 0.00 N ATOM 172 NH2 ARG A 16 -6.658 -20.262 -8.838 1.00 0.00 N ATOM 0 H ARG A 16 -4.029 -15.723 -4.061 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.145 -18.287 -3.094 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.638 -19.242 -5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.366 -18.998 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.229 -16.935 -6.467 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.491 -17.115 -6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.400 -17.991 -8.626 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.884 -19.377 -7.686 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.580 -18.977 -7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.688 -19.631 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.998 -20.511 -10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.258 -20.107 -8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.011 -20.779 -9.643 1.00 0.00 H new ATOM 186 N ASP A 17 -0.747 -17.689 -4.047 1.00 0.00 N ATOM 187 CA ASP A 17 0.595 -17.128 -4.144 1.00 0.00 C ATOM 188 C ASP A 17 1.357 -17.741 -5.314 1.00 0.00 C ATOM 189 O ASP A 17 2.536 -18.077 -5.195 1.00 0.00 O ATOM 190 CB ASP A 17 1.363 -17.362 -2.841 1.00 0.00 C ATOM 191 CG ASP A 17 1.822 -18.799 -2.689 1.00 0.00 C ATOM 192 OD1 ASP A 17 0.991 -19.649 -2.308 1.00 0.00 O ATOM 193 OD2 ASP A 17 3.012 -19.072 -2.950 1.00 0.00 O ATOM 0 H ASP A 17 -0.774 -18.705 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 17 0.503 -16.056 -4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.230 -16.702 -2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.729 -17.095 -1.996 1.00 0.00 H new ATOM 198 N LYS A 18 0.676 -17.885 -6.446 1.00 0.00 N ATOM 199 CA LYS A 18 1.288 -18.457 -7.640 1.00 0.00 C ATOM 200 C LYS A 18 1.992 -17.381 -8.460 1.00 0.00 C ATOM 201 O LYS A 18 1.886 -17.353 -9.686 1.00 0.00 O ATOM 202 CB LYS A 18 0.228 -19.154 -8.497 1.00 0.00 C ATOM 203 CG LYS A 18 -0.158 -20.531 -7.986 1.00 0.00 C ATOM 204 CD LYS A 18 -1.200 -21.185 -8.878 1.00 0.00 C ATOM 205 CE LYS A 18 -0.582 -21.718 -10.160 1.00 0.00 C ATOM 206 NZ LYS A 18 -0.019 -23.085 -9.978 1.00 0.00 N ATOM 0 H LYS A 18 -0.300 -17.613 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 18 2.030 -19.190 -7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.663 -18.528 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.600 -19.246 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.728 -21.163 -7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.547 -20.448 -6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.681 -22.001 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.978 -20.461 -9.122 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.337 -21.738 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.206 -21.042 -10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.393 -23.413 -10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.719 -23.062 -9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.776 -23.736 -9.686 1.00 0.00 H new ATOM 220 N ARG A 19 2.713 -16.499 -7.775 1.00 0.00 N ATOM 221 CA ARG A 19 3.435 -15.421 -8.440 1.00 0.00 C ATOM 222 C ARG A 19 4.475 -14.807 -7.508 1.00 0.00 C ATOM 223 O ARG A 19 4.166 -14.433 -6.376 1.00 0.00 O ATOM 224 CB ARG A 19 2.460 -14.342 -8.916 1.00 0.00 C ATOM 225 CG ARG A 19 3.145 -13.109 -9.482 1.00 0.00 C ATOM 226 CD ARG A 19 3.668 -13.358 -10.888 1.00 0.00 C ATOM 227 NE ARG A 19 3.980 -12.113 -11.584 1.00 0.00 N ATOM 228 CZ ARG A 19 3.072 -11.377 -12.216 1.00 0.00 C ATOM 229 NH1 ARG A 19 1.803 -11.759 -12.239 1.00 0.00 N ATOM 230 NH2 ARG A 19 3.434 -10.256 -12.827 1.00 0.00 N ATOM 0 H ARG A 19 2.813 -16.510 -6.760 1.00 0.00 H new ATOM 0 HA ARG A 19 3.950 -15.842 -9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.806 -14.766 -9.678 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.826 -14.044 -8.081 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.443 -12.276 -9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.970 -12.819 -8.832 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.562 -13.979 -10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.925 -13.915 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 19 4.948 -11.791 -11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.521 -12.620 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.108 -11.192 -12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.410 -9.959 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.737 -9.691 -13.312 1.00 0.00 H new ATOM 244 N LEU A 20 5.708 -14.706 -7.991 1.00 0.00 N ATOM 245 CA LEU A 20 6.795 -14.137 -7.201 1.00 0.00 C ATOM 246 C LEU A 20 7.861 -13.524 -8.103 1.00 0.00 C ATOM 247 O LEU A 20 8.611 -14.238 -8.768 1.00 0.00 O ATOM 248 CB LEU A 20 7.421 -15.212 -6.311 1.00 0.00 C ATOM 249 CG LEU A 20 6.806 -15.375 -4.920 1.00 0.00 C ATOM 250 CD1 LEU A 20 7.406 -16.578 -4.209 1.00 0.00 C ATOM 251 CD2 LEU A 20 7.006 -14.111 -4.097 1.00 0.00 C ATOM 0 H LEU A 20 5.981 -15.010 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 20 6.380 -13.349 -6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.355 -16.168 -6.830 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.481 -14.986 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 20 5.735 -15.544 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 20 6.957 -16.678 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.210 -17.479 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.482 -16.440 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.562 -14.245 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.072 -13.911 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.527 -13.270 -4.599 1.00 0.00 H new ATOM 263 N ARG A 21 7.923 -12.196 -8.118 1.00 0.00 N ATOM 264 CA ARG A 21 8.897 -11.486 -8.938 1.00 0.00 C ATOM 265 C ARG A 21 9.425 -10.254 -8.209 1.00 0.00 C ATOM 266 O ARG A 21 8.738 -9.675 -7.367 1.00 0.00 O ATOM 267 CB ARG A 21 8.271 -11.075 -10.271 1.00 0.00 C ATOM 268 CG ARG A 21 8.127 -12.223 -11.257 1.00 0.00 C ATOM 269 CD ARG A 21 9.422 -12.472 -12.015 1.00 0.00 C ATOM 270 NE ARG A 21 9.608 -11.522 -13.108 1.00 0.00 N ATOM 271 CZ ARG A 21 10.357 -11.768 -14.177 1.00 0.00 C ATOM 272 NH1 ARG A 21 10.988 -12.929 -14.295 1.00 0.00 N ATOM 273 NH2 ARG A 21 10.477 -10.854 -15.130 1.00 0.00 N ATOM 0 H ARG A 21 7.310 -11.591 -7.572 1.00 0.00 H new ATOM 0 HA ARG A 21 9.733 -12.159 -9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.288 -10.643 -10.083 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.881 -10.293 -10.723 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.837 -13.128 -10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.328 -11.999 -11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.264 -12.402 -11.327 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.420 -13.487 -12.413 1.00 0.00 H new ATOM 0 HE ARG A 21 9.137 -10.619 -13.047 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.898 -13.635 -13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.563 -13.116 -15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.994 -9.960 -15.043 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.053 -11.045 -15.950 1.00 0.00 H new ATOM 287 N THR A 22 10.650 -9.857 -8.540 1.00 0.00 N ATOM 288 CA THR A 22 11.271 -8.695 -7.916 1.00 0.00 C ATOM 289 C THR A 22 10.430 -7.441 -8.131 1.00 0.00 C ATOM 290 O THR A 22 9.843 -6.906 -7.190 1.00 0.00 O ATOM 291 CB THR A 22 12.687 -8.450 -8.470 1.00 0.00 C ATOM 292 OG1 THR A 22 13.432 -9.673 -8.469 1.00 0.00 O ATOM 293 CG2 THR A 22 13.419 -7.405 -7.641 1.00 0.00 C ATOM 0 H THR A 22 11.231 -10.323 -9.236 1.00 0.00 H new ATOM 0 HA THR A 22 11.338 -8.907 -6.849 1.00 0.00 H new ATOM 0 HB THR A 22 12.595 -8.082 -9.492 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.330 -9.509 -8.824 1.00 0.00 H new ATOM 0 HG21 THR A 22 14.417 -7.249 -8.051 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.865 -6.467 -7.667 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.500 -7.750 -6.610 1.00 0.00 H new ATOM 301 N THR A 23 10.376 -6.976 -9.375 1.00 0.00 N ATOM 302 CA THR A 23 9.608 -5.785 -9.713 1.00 0.00 C ATOM 303 C THR A 23 8.186 -5.875 -9.171 1.00 0.00 C ATOM 304 O THR A 23 7.825 -6.850 -8.511 1.00 0.00 O ATOM 305 CB THR A 23 9.551 -5.567 -11.237 1.00 0.00 C ATOM 306 OG1 THR A 23 8.982 -6.715 -11.876 1.00 0.00 O ATOM 307 CG2 THR A 23 10.940 -5.304 -11.798 1.00 0.00 C ATOM 0 H THR A 23 10.856 -7.407 -10.165 1.00 0.00 H new ATOM 0 HA THR A 23 10.117 -4.939 -9.251 1.00 0.00 H new ATOM 0 HB THR A 23 8.926 -4.696 -11.434 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.948 -6.567 -12.844 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.875 -5.153 -12.876 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.358 -4.412 -11.331 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.584 -6.158 -11.590 1.00 0.00 H new ATOM 315 N ILE A 24 7.384 -4.855 -9.454 1.00 0.00 N ATOM 316 CA ILE A 24 6.000 -4.821 -8.996 1.00 0.00 C ATOM 317 C ILE A 24 5.035 -4.693 -10.169 1.00 0.00 C ATOM 318 O ILE A 24 5.387 -4.158 -11.222 1.00 0.00 O ATOM 319 CB ILE A 24 5.760 -3.656 -8.018 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.805 -3.675 -6.901 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.355 -3.734 -7.438 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.846 -2.398 -6.090 1.00 0.00 C ATOM 0 H ILE A 24 7.668 -4.041 -9.998 1.00 0.00 H new ATOM 0 HA ILE A 24 5.815 -5.763 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 24 5.856 -2.717 -8.563 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.598 -4.512 -6.235 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.788 -3.851 -7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.199 -2.904 -6.748 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.625 -3.677 -8.245 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.233 -4.677 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.609 -2.483 -5.316 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.084 -1.559 -6.744 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.875 -2.231 -5.624 1.00 0.00 H new ATOM 334 N THR A 25 3.815 -5.186 -9.982 1.00 0.00 N ATOM 335 CA THR A 25 2.798 -5.126 -11.024 1.00 0.00 C ATOM 336 C THR A 25 1.726 -4.096 -10.687 1.00 0.00 C ATOM 337 O THR A 25 1.495 -3.762 -9.525 1.00 0.00 O ATOM 338 CB THR A 25 2.128 -6.497 -11.235 1.00 0.00 C ATOM 339 OG1 THR A 25 1.703 -7.033 -9.977 1.00 0.00 O ATOM 340 CG2 THR A 25 3.085 -7.469 -11.909 1.00 0.00 C ATOM 0 H THR A 25 3.507 -5.632 -9.118 1.00 0.00 H new ATOM 0 HA THR A 25 3.305 -4.832 -11.943 1.00 0.00 H new ATOM 0 HB THR A 25 1.262 -6.358 -11.882 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.393 -7.636 -9.629 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.590 -8.430 -12.048 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.384 -7.072 -12.879 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.968 -7.603 -11.284 1.00 0.00 H new ATOM 348 N PRO A 26 1.053 -3.579 -11.727 1.00 0.00 N ATOM 349 CA PRO A 26 -0.007 -2.580 -11.566 1.00 0.00 C ATOM 350 C PRO A 26 -1.259 -3.162 -10.919 1.00 0.00 C ATOM 351 O PRO A 26 -2.148 -2.426 -10.493 1.00 0.00 O ATOM 352 CB PRO A 26 -0.302 -2.141 -13.002 1.00 0.00 C ATOM 353 CG PRO A 26 0.108 -3.299 -13.844 1.00 0.00 C ATOM 354 CD PRO A 26 1.276 -3.931 -13.139 1.00 0.00 C ATOM 0 HA PRO A 26 0.298 -1.764 -10.911 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.359 -1.909 -13.136 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.257 -1.243 -13.264 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.711 -4.009 -13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.387 -2.973 -14.846 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.297 -5.011 -13.285 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.226 -3.541 -13.505 1.00 0.00 H new ATOM 362 N GLU A 27 -1.321 -4.488 -10.849 1.00 0.00 N ATOM 363 CA GLU A 27 -2.466 -5.168 -10.254 1.00 0.00 C ATOM 364 C GLU A 27 -2.188 -5.527 -8.797 1.00 0.00 C ATOM 365 O GLU A 27 -3.112 -5.772 -8.022 1.00 0.00 O ATOM 366 CB GLU A 27 -2.805 -6.432 -11.047 1.00 0.00 C ATOM 367 CG GLU A 27 -3.029 -6.180 -12.528 1.00 0.00 C ATOM 368 CD GLU A 27 -3.846 -7.273 -13.189 1.00 0.00 C ATOM 369 OE1 GLU A 27 -4.907 -7.635 -12.639 1.00 0.00 O ATOM 370 OE2 GLU A 27 -3.424 -7.768 -14.255 1.00 0.00 O ATOM 0 H GLU A 27 -0.593 -5.112 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.318 -4.488 -10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.996 -7.153 -10.928 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.701 -6.886 -10.625 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.536 -5.224 -12.657 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.064 -6.099 -13.029 1.00 0.00 H new ATOM 377 N GLN A 28 -0.910 -5.557 -8.434 1.00 0.00 N ATOM 378 CA GLN A 28 -0.511 -5.887 -7.071 1.00 0.00 C ATOM 379 C GLN A 28 -0.437 -4.633 -6.206 1.00 0.00 C ATOM 380 O GLN A 28 -0.940 -4.611 -5.082 1.00 0.00 O ATOM 381 CB GLN A 28 0.842 -6.600 -7.072 1.00 0.00 C ATOM 382 CG GLN A 28 0.753 -8.073 -7.439 1.00 0.00 C ATOM 383 CD GLN A 28 2.112 -8.742 -7.502 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.858 -8.569 -8.466 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.442 -9.512 -6.471 1.00 0.00 N ATOM 0 H GLN A 28 -0.133 -5.357 -9.064 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.265 -6.552 -6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.507 -6.098 -7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.293 -6.507 -6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.132 -8.589 -6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.258 -8.174 -8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.793 -9.628 -5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.344 -9.988 -6.458 1.00 0.00 H new ATOM 394 N LEU A 29 0.193 -3.591 -6.737 1.00 0.00 N ATOM 395 CA LEU A 29 0.333 -2.332 -6.013 1.00 0.00 C ATOM 396 C LEU A 29 -0.956 -1.981 -5.277 1.00 0.00 C ATOM 397 O LEU A 29 -0.949 -1.762 -4.066 1.00 0.00 O ATOM 398 CB LEU A 29 0.705 -1.205 -6.979 1.00 0.00 C ATOM 399 CG LEU A 29 2.198 -1.023 -7.255 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.415 -0.393 -8.621 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.842 -0.177 -6.166 1.00 0.00 C ATOM 0 H LEU A 29 0.615 -3.593 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 29 1.129 -2.450 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.200 -1.385 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.313 -0.269 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 29 2.671 -2.005 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.483 -0.271 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.989 -1.037 -9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.928 0.582 -8.654 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.904 -0.058 -6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.365 0.803 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.718 -0.669 -5.202 1.00 0.00 H new ATOM 413 N GLU A 30 -2.060 -1.932 -6.016 1.00 0.00 N ATOM 414 CA GLU A 30 -3.356 -1.609 -5.431 1.00 0.00 C ATOM 415 C GLU A 30 -3.464 -2.156 -4.011 1.00 0.00 C ATOM 416 O GLU A 30 -3.688 -1.406 -3.061 1.00 0.00 O ATOM 417 CB GLU A 30 -4.485 -2.175 -6.295 1.00 0.00 C ATOM 418 CG GLU A 30 -4.242 -2.028 -7.788 1.00 0.00 C ATOM 419 CD GLU A 30 -5.529 -1.984 -8.587 1.00 0.00 C ATOM 420 OE1 GLU A 30 -6.335 -2.930 -8.469 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.731 -1.001 -9.332 1.00 0.00 O ATOM 0 H GLU A 30 -2.083 -2.112 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.448 -0.524 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.617 -3.231 -6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.417 -1.672 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.673 -1.116 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.631 -2.860 -8.136 1.00 0.00 H new ATOM 428 N ILE A 31 -3.304 -3.469 -3.876 1.00 0.00 N ATOM 429 CA ILE A 31 -3.383 -4.117 -2.572 1.00 0.00 C ATOM 430 C ILE A 31 -2.415 -3.479 -1.582 1.00 0.00 C ATOM 431 O ILE A 31 -2.750 -3.272 -0.414 1.00 0.00 O ATOM 432 CB ILE A 31 -3.078 -5.623 -2.673 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.977 -6.278 -3.724 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.261 -6.292 -1.319 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.345 -7.476 -4.397 1.00 0.00 C ATOM 0 H ILE A 31 -3.119 -4.104 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.404 -3.984 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.040 -5.749 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.909 -6.587 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.234 -5.539 -4.483 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.042 -7.356 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.583 -5.840 -0.595 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.290 -6.160 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.038 -7.890 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.427 -7.169 -4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.113 -8.234 -3.648 1.00 0.00 H new ATOM 447 N LEU A 32 -1.214 -3.166 -2.055 1.00 0.00 N ATOM 448 CA LEU A 32 -0.196 -2.549 -1.211 1.00 0.00 C ATOM 449 C LEU A 32 -0.628 -1.155 -0.769 1.00 0.00 C ATOM 450 O LEU A 32 -0.526 -0.806 0.408 1.00 0.00 O ATOM 451 CB LEU A 32 1.136 -2.469 -1.960 1.00 0.00 C ATOM 452 CG LEU A 32 1.631 -3.772 -2.589 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.820 -3.507 -3.499 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.998 -4.779 -1.509 1.00 0.00 C ATOM 0 H LEU A 32 -0.921 -3.329 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.070 -3.169 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.043 -1.721 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.898 -2.110 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 32 0.825 -4.192 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.159 -4.446 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.525 -2.821 -4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.630 -3.064 -2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.348 -5.700 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.788 -4.367 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.121 -4.992 -0.897 1.00 0.00 H new ATOM 466 N TYR A 33 -1.112 -0.362 -1.718 1.00 0.00 N ATOM 467 CA TYR A 33 -1.559 0.995 -1.426 1.00 0.00 C ATOM 468 C TYR A 33 -2.684 0.988 -0.395 1.00 0.00 C ATOM 469 O TYR A 33 -2.667 1.761 0.562 1.00 0.00 O ATOM 470 CB TYR A 33 -2.031 1.685 -2.707 1.00 0.00 C ATOM 471 CG TYR A 33 -0.908 2.297 -3.514 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.135 3.328 -2.995 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.621 1.845 -4.796 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.891 3.891 -3.728 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.404 2.401 -5.537 1.00 0.00 C ATOM 476 CZ TYR A 33 1.157 3.424 -4.999 1.00 0.00 C ATOM 477 OH TYR A 33 2.179 3.981 -5.733 1.00 0.00 O ATOM 0 H TYR A 33 -1.205 -0.635 -2.696 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.715 1.548 -1.013 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.559 0.960 -3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.747 2.465 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.340 3.696 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.209 1.045 -5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.482 4.692 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.615 2.037 -6.532 1.00 0.00 H new ATOM 0 HH TYR A 33 2.235 3.538 -6.605 1.00 0.00 H new ATOM 487 N GLN A 34 -3.659 0.108 -0.599 1.00 0.00 N ATOM 488 CA GLN A 34 -4.792 -0.001 0.312 1.00 0.00 C ATOM 489 C GLN A 34 -4.326 -0.361 1.719 1.00 0.00 C ATOM 490 O GLN A 34 -4.843 0.160 2.708 1.00 0.00 O ATOM 491 CB GLN A 34 -5.782 -1.051 -0.195 1.00 0.00 C ATOM 492 CG GLN A 34 -6.828 -0.492 -1.146 1.00 0.00 C ATOM 493 CD GLN A 34 -7.479 0.773 -0.620 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.161 1.878 -1.060 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.397 0.617 0.327 1.00 0.00 N ATOM 0 H GLN A 34 -3.687 -0.539 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.290 0.968 0.351 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.231 -1.844 -0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.285 -1.506 0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.363 -0.283 -2.109 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.596 -1.246 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.630 -0.318 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.869 1.432 0.719 1.00 0.00 H new ATOM 504 N LYS A 35 -3.347 -1.255 1.802 1.00 0.00 N ATOM 505 CA LYS A 35 -2.810 -1.685 3.087 1.00 0.00 C ATOM 506 C LYS A 35 -1.982 -0.576 3.729 1.00 0.00 C ATOM 507 O LYS A 35 -1.850 -0.516 4.952 1.00 0.00 O ATOM 508 CB LYS A 35 -1.953 -2.940 2.911 1.00 0.00 C ATOM 509 CG LYS A 35 -2.720 -4.128 2.356 1.00 0.00 C ATOM 510 CD LYS A 35 -3.472 -4.866 3.451 1.00 0.00 C ATOM 511 CE LYS A 35 -4.536 -5.786 2.872 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.798 -5.055 2.570 1.00 0.00 N ATOM 0 H LYS A 35 -2.909 -1.696 0.993 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.648 -1.915 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.122 -2.711 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.523 -3.214 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.424 -3.786 1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.028 -4.812 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.770 -5.449 4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.939 -4.146 4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.158 -6.250 1.961 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.743 -6.591 3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.497 -5.717 2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.173 -4.634 3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.606 -4.303 1.878 1.00 0.00 H new ATOM 526 N TYR A 36 -1.428 0.299 2.898 1.00 0.00 N ATOM 527 CA TYR A 36 -0.612 1.404 3.385 1.00 0.00 C ATOM 528 C TYR A 36 -1.487 2.534 3.919 1.00 0.00 C ATOM 529 O TYR A 36 -1.261 3.046 5.016 1.00 0.00 O ATOM 530 CB TYR A 36 0.292 1.929 2.268 1.00 0.00 C ATOM 531 CG TYR A 36 1.066 3.171 2.648 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.220 3.086 3.418 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.645 4.429 2.237 1.00 0.00 C ATOM 534 CE1 TYR A 36 2.930 4.218 3.769 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.349 5.567 2.582 1.00 0.00 C ATOM 536 CZ TYR A 36 2.491 5.456 3.348 1.00 0.00 C ATOM 537 OH TYR A 36 3.196 6.585 3.694 1.00 0.00 O ATOM 0 H TYR A 36 -1.529 0.264 1.884 1.00 0.00 H new ATOM 0 HA TYR A 36 0.008 1.032 4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.995 1.146 1.983 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.317 2.145 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.568 2.118 3.748 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.248 4.520 1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.824 4.134 4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.007 6.538 2.254 1.00 0.00 H new ATOM 0 HH TYR A 36 2.571 7.305 3.918 1.00 0.00 H new ATOM 547 N LEU A 37 -2.489 2.918 3.135 1.00 0.00 N ATOM 548 CA LEU A 37 -3.401 3.986 3.528 1.00 0.00 C ATOM 549 C LEU A 37 -4.011 3.706 4.897 1.00 0.00 C ATOM 550 O LEU A 37 -4.246 4.624 5.684 1.00 0.00 O ATOM 551 CB LEU A 37 -4.510 4.146 2.486 1.00 0.00 C ATOM 552 CG LEU A 37 -4.057 4.530 1.077 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.099 4.116 0.050 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.786 6.025 0.993 1.00 0.00 C ATOM 0 H LEU A 37 -2.690 2.506 2.224 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.830 4.913 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.062 3.208 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.208 4.904 2.841 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.130 4.000 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.759 4.397 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.243 3.036 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.042 4.617 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.465 6.280 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.696 6.574 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.003 6.293 1.702 1.00 0.00 H new ATOM 566 N LEU A 38 -4.264 2.432 5.177 1.00 0.00 N ATOM 567 CA LEU A 38 -4.845 2.029 6.453 1.00 0.00 C ATOM 568 C LEU A 38 -3.757 1.789 7.495 1.00 0.00 C ATOM 569 O LEU A 38 -3.958 2.033 8.685 1.00 0.00 O ATOM 570 CB LEU A 38 -5.687 0.764 6.276 1.00 0.00 C ATOM 571 CG LEU A 38 -4.913 -0.553 6.217 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.755 -1.142 7.610 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.612 -1.541 5.295 1.00 0.00 C ATOM 0 H LEU A 38 -4.076 1.660 4.537 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.486 2.838 6.804 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.399 0.707 7.099 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.267 0.863 5.359 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.920 -0.351 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.202 -2.079 7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.211 -0.440 8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.739 -1.329 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.047 -2.473 5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.617 -1.738 5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.673 -1.121 4.291 1.00 0.00 H new ATOM 585 N ASP A 39 -2.604 1.312 7.039 1.00 0.00 N ATOM 586 CA ASP A 39 -1.483 1.041 7.931 1.00 0.00 C ATOM 587 C ASP A 39 -0.156 1.360 7.248 1.00 0.00 C ATOM 588 O ASP A 39 0.298 0.619 6.376 1.00 0.00 O ATOM 589 CB ASP A 39 -1.501 -0.421 8.380 1.00 0.00 C ATOM 590 CG ASP A 39 -2.287 -0.623 9.660 1.00 0.00 C ATOM 591 OD1 ASP A 39 -2.392 0.339 10.450 1.00 0.00 O ATOM 592 OD2 ASP A 39 -2.797 -1.743 9.873 1.00 0.00 O ATOM 0 H ASP A 39 -2.421 1.105 6.057 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.585 1.682 8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.934 -1.035 7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.477 -0.766 8.527 1.00 0.00 H new ATOM 597 N SER A 40 0.459 2.467 7.649 1.00 0.00 N ATOM 598 CA SER A 40 1.731 2.887 7.073 1.00 0.00 C ATOM 599 C SER A 40 2.886 2.576 8.020 1.00 0.00 C ATOM 600 O SER A 40 4.047 2.839 7.708 1.00 0.00 O ATOM 601 CB SER A 40 1.704 4.383 6.757 1.00 0.00 C ATOM 602 OG SER A 40 0.764 4.672 5.736 1.00 0.00 O ATOM 0 H SER A 40 0.097 3.090 8.371 1.00 0.00 H new ATOM 0 HA SER A 40 1.883 2.331 6.148 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.452 4.943 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.696 4.710 6.445 1.00 0.00 H new ATOM 0 HG SER A 40 1.188 4.558 4.860 1.00 0.00 H new ATOM 608 N ASN A 41 2.558 2.016 9.180 1.00 0.00 N ATOM 609 CA ASN A 41 3.567 1.670 10.174 1.00 0.00 C ATOM 610 C ASN A 41 3.417 0.218 10.618 1.00 0.00 C ATOM 611 O ASN A 41 3.414 -0.096 11.809 1.00 0.00 O ATOM 612 CB ASN A 41 3.459 2.599 11.385 1.00 0.00 C ATOM 613 CG ASN A 41 4.326 3.835 11.245 1.00 0.00 C ATOM 614 OD1 ASN A 41 3.856 4.960 11.416 1.00 0.00 O ATOM 615 ND2 ASN A 41 5.600 3.630 10.931 1.00 0.00 N ATOM 0 H ASN A 41 1.601 1.792 9.454 1.00 0.00 H new ATOM 0 HA ASN A 41 4.549 1.792 9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.420 2.901 11.517 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.749 2.055 12.284 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.232 4.423 10.822 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.946 2.680 10.799 1.00 0.00 H new ATOM 622 N PRO A 42 3.291 -0.690 9.640 1.00 0.00 N ATOM 623 CA PRO A 42 3.140 -2.124 9.905 1.00 0.00 C ATOM 624 C PRO A 42 4.417 -2.750 10.454 1.00 0.00 C ATOM 625 O PRO A 42 5.415 -2.061 10.671 1.00 0.00 O ATOM 626 CB PRO A 42 2.808 -2.706 8.528 1.00 0.00 C ATOM 627 CG PRO A 42 3.398 -1.743 7.557 1.00 0.00 C ATOM 628 CD PRO A 42 3.286 -0.387 8.199 1.00 0.00 C ATOM 0 HA PRO A 42 2.380 -2.321 10.661 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.234 -3.702 8.406 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.731 -2.800 8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.438 -1.990 7.346 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.864 -1.770 6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.119 0.259 7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.372 0.125 7.899 1.00 0.00 H new ATOM 636 N THR A 43 4.381 -4.060 10.677 1.00 0.00 N ATOM 637 CA THR A 43 5.535 -4.778 11.201 1.00 0.00 C ATOM 638 C THR A 43 5.832 -6.023 10.372 1.00 0.00 C ATOM 639 O THR A 43 5.003 -6.460 9.573 1.00 0.00 O ATOM 640 CB THR A 43 5.319 -5.193 12.669 1.00 0.00 C ATOM 641 OG1 THR A 43 6.510 -5.794 13.188 1.00 0.00 O ATOM 642 CG2 THR A 43 4.158 -6.168 12.791 1.00 0.00 C ATOM 0 H THR A 43 3.564 -4.645 10.502 1.00 0.00 H new ATOM 0 HA THR A 43 6.383 -4.096 11.144 1.00 0.00 H new ATOM 0 HB THR A 43 5.083 -4.298 13.245 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.365 -6.053 14.122 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.025 -6.446 13.836 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.247 -5.697 12.422 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.369 -7.060 12.202 1.00 0.00 H new ATOM 650 N ARG A 44 7.018 -6.589 10.567 1.00 0.00 N ATOM 651 CA ARG A 44 7.424 -7.784 9.836 1.00 0.00 C ATOM 652 C ARG A 44 6.249 -8.743 9.668 1.00 0.00 C ATOM 653 O ARG A 44 6.074 -9.348 8.610 1.00 0.00 O ATOM 654 CB ARG A 44 8.570 -8.487 10.564 1.00 0.00 C ATOM 655 CG ARG A 44 9.944 -7.948 10.201 1.00 0.00 C ATOM 656 CD ARG A 44 10.028 -6.445 10.420 1.00 0.00 C ATOM 657 NE ARG A 44 9.986 -6.095 11.837 1.00 0.00 N ATOM 658 CZ ARG A 44 11.055 -6.096 12.626 1.00 0.00 C ATOM 659 NH1 ARG A 44 12.243 -6.425 12.138 1.00 0.00 N ATOM 660 NH2 ARG A 44 10.937 -5.766 13.906 1.00 0.00 N ATOM 0 H ARG A 44 7.715 -6.240 11.225 1.00 0.00 H new ATOM 0 HA ARG A 44 7.765 -7.477 8.847 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.422 -8.386 11.639 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.535 -9.552 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.703 -8.448 10.803 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.162 -8.178 9.158 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.950 -6.066 9.980 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.203 -5.956 9.901 1.00 0.00 H new ATOM 0 HE ARG A 44 9.087 -5.836 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.338 -6.678 11.155 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.062 -6.425 12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.025 -5.511 14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.758 -5.767 14.511 1.00 0.00 H new ATOM 674 N LYS A 45 5.446 -8.878 10.718 1.00 0.00 N ATOM 675 CA LYS A 45 4.288 -9.762 10.688 1.00 0.00 C ATOM 676 C LYS A 45 3.337 -9.375 9.559 1.00 0.00 C ATOM 677 O LYS A 45 2.927 -10.220 8.764 1.00 0.00 O ATOM 678 CB LYS A 45 3.550 -9.717 12.028 1.00 0.00 C ATOM 679 CG LYS A 45 2.768 -10.982 12.335 1.00 0.00 C ATOM 680 CD LYS A 45 3.692 -12.152 12.626 1.00 0.00 C ATOM 681 CE LYS A 45 4.020 -12.248 14.108 1.00 0.00 C ATOM 682 NZ LYS A 45 5.258 -11.493 14.451 1.00 0.00 N ATOM 0 H LYS A 45 5.577 -8.385 11.601 1.00 0.00 H new ATOM 0 HA LYS A 45 4.643 -10.777 10.510 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.273 -9.544 12.825 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.866 -8.868 12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.117 -10.809 13.192 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.124 -11.227 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.223 -13.079 12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.614 -12.040 12.055 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.185 -11.860 14.691 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.144 -13.295 14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.956 -12.142 14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.654 -11.066 13.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.029 -10.744 15.135 1.00 0.00 H new ATOM 696 N MET A 46 2.993 -8.094 9.495 1.00 0.00 N ATOM 697 CA MET A 46 2.092 -7.595 8.461 1.00 0.00 C ATOM 698 C MET A 46 2.763 -7.633 7.092 1.00 0.00 C ATOM 699 O MET A 46 2.188 -8.126 6.121 1.00 0.00 O ATOM 700 CB MET A 46 1.649 -6.168 8.786 1.00 0.00 C ATOM 701 CG MET A 46 1.015 -6.026 10.161 1.00 0.00 C ATOM 702 SD MET A 46 -0.763 -6.321 10.139 1.00 0.00 S ATOM 703 CE MET A 46 -0.813 -8.056 9.696 1.00 0.00 C ATOM 0 H MET A 46 3.324 -7.382 10.146 1.00 0.00 H new ATOM 0 HA MET A 46 1.215 -8.242 8.434 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.512 -5.505 8.723 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.937 -5.837 8.031 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.487 -6.727 10.849 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.209 -5.024 10.544 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.724 -8.506 10.090 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.799 -8.155 8.611 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.054 -8.564 10.118 1.00 0.00 H new ATOM 713 N LEU A 47 3.982 -7.109 7.021 1.00 0.00 N ATOM 714 CA LEU A 47 4.732 -7.082 5.770 1.00 0.00 C ATOM 715 C LEU A 47 4.881 -8.487 5.194 1.00 0.00 C ATOM 716 O LEU A 47 4.858 -8.676 3.978 1.00 0.00 O ATOM 717 CB LEU A 47 6.111 -6.461 5.992 1.00 0.00 C ATOM 718 CG LEU A 47 6.124 -5.023 6.512 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.539 -4.599 6.875 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.530 -4.077 5.479 1.00 0.00 C ATOM 0 H LEU A 47 4.472 -6.697 7.815 1.00 0.00 H new ATOM 0 HA LEU A 47 4.177 -6.473 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.660 -7.086 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.656 -6.490 5.049 1.00 0.00 H new ATOM 0 HG LEU A 47 5.511 -4.977 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.528 -3.573 7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.929 -5.259 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.175 -4.661 5.992 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.547 -3.058 5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.116 -4.126 4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.501 -4.368 5.269 1.00 0.00 H new ATOM 732 N ASP A 48 5.030 -9.469 6.076 1.00 0.00 N ATOM 733 CA ASP A 48 5.180 -10.857 5.656 1.00 0.00 C ATOM 734 C ASP A 48 3.872 -11.395 5.083 1.00 0.00 C ATOM 735 O ASP A 48 3.853 -11.990 4.005 1.00 0.00 O ATOM 736 CB ASP A 48 5.629 -11.723 6.834 1.00 0.00 C ATOM 737 CG ASP A 48 6.146 -13.079 6.393 1.00 0.00 C ATOM 738 OD1 ASP A 48 6.862 -13.137 5.372 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.834 -14.081 7.069 1.00 0.00 O ATOM 0 H ASP A 48 5.050 -9.329 7.086 1.00 0.00 H new ATOM 0 HA ASP A 48 5.941 -10.895 4.876 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.411 -11.202 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.792 -11.862 7.519 1.00 0.00 H new ATOM 744 N HIS A 49 2.781 -11.184 5.812 1.00 0.00 N ATOM 745 CA HIS A 49 1.469 -11.648 5.376 1.00 0.00 C ATOM 746 C HIS A 49 1.046 -10.950 4.087 1.00 0.00 C ATOM 747 O HIS A 49 0.727 -11.603 3.093 1.00 0.00 O ATOM 748 CB HIS A 49 0.428 -11.400 6.469 1.00 0.00 C ATOM 749 CG HIS A 49 -0.911 -11.998 6.166 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.217 -13.321 6.407 1.00 0.00 N ATOM 751 CD2 HIS A 49 -2.030 -11.445 5.642 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.464 -13.557 6.042 1.00 0.00 C ATOM 753 NE2 HIS A 49 -2.980 -12.434 5.574 1.00 0.00 N ATOM 0 H HIS A 49 2.779 -10.695 6.707 1.00 0.00 H new ATOM 0 HA HIS A 49 1.535 -12.719 5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.796 -11.810 7.410 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.313 -10.326 6.613 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.153 -10.417 5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -2.975 -14.506 6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.930 -12.320 5.220 1.00 0.00 H new ATOM 762 N ILE A 50 1.046 -9.622 4.112 1.00 0.00 N ATOM 763 CA ILE A 50 0.663 -8.837 2.945 1.00 0.00 C ATOM 764 C ILE A 50 1.395 -9.315 1.696 1.00 0.00 C ATOM 765 O ILE A 50 0.782 -9.548 0.655 1.00 0.00 O ATOM 766 CB ILE A 50 0.953 -7.339 3.155 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.227 -6.826 4.400 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.537 -6.542 1.927 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.945 -5.688 5.092 1.00 0.00 C ATOM 0 H ILE A 50 1.307 -9.067 4.927 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.410 -8.976 2.809 1.00 0.00 H new ATOM 0 HB ILE A 50 2.025 -7.209 3.303 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.773 -6.496 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.104 -7.649 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.748 -5.485 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.095 -6.893 1.059 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.530 -6.676 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.374 -5.375 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.935 -6.019 5.405 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.045 -4.849 4.404 1.00 0.00 H new ATOM 781 N ALA A 51 2.712 -9.460 1.808 1.00 0.00 N ATOM 782 CA ALA A 51 3.528 -9.914 0.689 1.00 0.00 C ATOM 783 C ALA A 51 3.165 -11.340 0.288 1.00 0.00 C ATOM 784 O ALA A 51 3.419 -11.762 -0.841 1.00 0.00 O ATOM 785 CB ALA A 51 5.005 -9.823 1.042 1.00 0.00 C ATOM 0 H ALA A 51 3.236 -9.270 2.662 1.00 0.00 H new ATOM 0 HA ALA A 51 3.328 -9.263 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.603 -10.165 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.261 -8.789 1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.211 -10.450 1.910 1.00 0.00 H new ATOM 791 N HIS A 52 2.569 -12.078 1.219 1.00 0.00 N ATOM 792 CA HIS A 52 2.171 -13.458 0.962 1.00 0.00 C ATOM 793 C HIS A 52 0.862 -13.509 0.181 1.00 0.00 C ATOM 794 O HIS A 52 0.672 -14.373 -0.674 1.00 0.00 O ATOM 795 CB HIS A 52 2.024 -14.222 2.278 1.00 0.00 C ATOM 796 CG HIS A 52 1.531 -15.625 2.103 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.271 -16.733 2.460 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.364 -16.098 1.608 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.581 -17.826 2.190 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.419 -17.469 1.673 1.00 0.00 N ATOM 0 H HIS A 52 2.351 -11.744 2.158 1.00 0.00 H new ATOM 0 HA HIS A 52 2.950 -13.929 0.362 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.989 -14.245 2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.335 -13.682 2.927 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.458 -15.507 1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.911 -18.840 2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.317 -18.107 1.371 1.00 0.00 H new ATOM 809 N GLU A 53 -0.038 -12.577 0.481 1.00 0.00 N ATOM 810 CA GLU A 53 -1.330 -12.518 -0.192 1.00 0.00 C ATOM 811 C GLU A 53 -1.198 -11.867 -1.566 1.00 0.00 C ATOM 812 O GLU A 53 -1.868 -12.262 -2.520 1.00 0.00 O ATOM 813 CB GLU A 53 -2.338 -11.742 0.658 1.00 0.00 C ATOM 814 CG GLU A 53 -2.278 -10.238 0.451 1.00 0.00 C ATOM 815 CD GLU A 53 -3.457 -9.516 1.075 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.609 -9.871 0.751 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.226 -8.596 1.887 1.00 0.00 O ATOM 0 H GLU A 53 0.104 -11.853 1.185 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.689 -13.539 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.343 -12.093 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.160 -11.963 1.710 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.353 -9.853 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.249 -10.023 -0.617 1.00 0.00 H new ATOM 824 N VAL A 54 -0.329 -10.865 -1.658 1.00 0.00 N ATOM 825 CA VAL A 54 -0.108 -10.158 -2.914 1.00 0.00 C ATOM 826 C VAL A 54 0.763 -10.977 -3.860 1.00 0.00 C ATOM 827 O VAL A 54 0.676 -10.837 -5.079 1.00 0.00 O ATOM 828 CB VAL A 54 0.556 -8.789 -2.679 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.393 -7.898 -3.901 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.024 -8.122 -1.441 1.00 0.00 C ATOM 0 H VAL A 54 0.233 -10.525 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.088 -10.005 -3.367 1.00 0.00 H new ATOM 0 HB VAL A 54 1.622 -8.946 -2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.869 -6.935 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.861 -8.374 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.668 -7.746 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.457 -7.155 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.096 -7.977 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.151 -8.755 -0.571 1.00 0.00 H new ATOM 840 N GLY A 55 1.603 -11.835 -3.289 1.00 0.00 N ATOM 841 CA GLY A 55 2.478 -12.666 -4.096 1.00 0.00 C ATOM 842 C GLY A 55 3.713 -11.922 -4.564 1.00 0.00 C ATOM 843 O GLY A 55 4.190 -12.136 -5.680 1.00 0.00 O ATOM 0 H GLY A 55 1.693 -11.970 -2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.781 -13.539 -3.517 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.928 -13.033 -4.963 1.00 0.00 H new ATOM 847 N LEU A 56 4.232 -11.045 -3.712 1.00 0.00 N ATOM 848 CA LEU A 56 5.419 -10.265 -4.045 1.00 0.00 C ATOM 849 C LEU A 56 6.494 -10.426 -2.975 1.00 0.00 C ATOM 850 O LEU A 56 6.201 -10.419 -1.779 1.00 0.00 O ATOM 851 CB LEU A 56 5.055 -8.788 -4.202 1.00 0.00 C ATOM 852 CG LEU A 56 5.903 -7.989 -5.192 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.791 -8.581 -6.589 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.483 -6.526 -5.196 1.00 0.00 C ATOM 0 H LEU A 56 3.850 -10.856 -2.785 1.00 0.00 H new ATOM 0 HA LEU A 56 5.815 -10.637 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.012 -8.723 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.127 -8.311 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 56 6.945 -8.046 -4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.401 -8.000 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.141 -9.613 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.751 -8.555 -6.913 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.097 -5.973 -5.906 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.435 -6.449 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.615 -6.107 -4.199 1.00 0.00 H new ATOM 866 N LYS A 57 7.740 -10.568 -3.413 1.00 0.00 N ATOM 867 CA LYS A 57 8.861 -10.726 -2.493 1.00 0.00 C ATOM 868 C LYS A 57 8.667 -9.869 -1.246 1.00 0.00 C ATOM 869 O LYS A 57 8.573 -8.645 -1.330 1.00 0.00 O ATOM 870 CB LYS A 57 10.173 -10.349 -3.185 1.00 0.00 C ATOM 871 CG LYS A 57 10.754 -11.464 -4.037 1.00 0.00 C ATOM 872 CD LYS A 57 10.000 -11.616 -5.347 1.00 0.00 C ATOM 873 CE LYS A 57 10.664 -12.638 -6.257 1.00 0.00 C ATOM 874 NZ LYS A 57 10.514 -14.025 -5.738 1.00 0.00 N ATOM 0 H LYS A 57 8.000 -10.577 -4.399 1.00 0.00 H new ATOM 0 HA LYS A 57 8.905 -11.772 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.004 -9.474 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.904 -10.063 -2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.804 -11.256 -4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.717 -12.403 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.973 -11.921 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.952 -10.652 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.227 -12.574 -7.254 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.723 -12.401 -6.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.292 -14.668 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.402 -14.325 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.744 -14.053 -5.040 1.00 0.00 H new ATOM 888 N LYS A 58 8.610 -10.520 -0.089 1.00 0.00 N ATOM 889 CA LYS A 58 8.431 -9.819 1.176 1.00 0.00 C ATOM 890 C LYS A 58 9.280 -8.552 1.221 1.00 0.00 C ATOM 891 O LYS A 58 8.793 -7.480 1.580 1.00 0.00 O ATOM 892 CB LYS A 58 8.798 -10.734 2.347 1.00 0.00 C ATOM 893 CG LYS A 58 8.016 -10.442 3.615 1.00 0.00 C ATOM 894 CD LYS A 58 8.626 -9.289 4.395 1.00 0.00 C ATOM 895 CE LYS A 58 8.385 -9.438 5.889 1.00 0.00 C ATOM 896 NZ LYS A 58 9.203 -10.535 6.476 1.00 0.00 N ATOM 0 H LYS A 58 8.685 -11.533 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 58 7.382 -9.535 1.260 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.627 -11.770 2.055 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.863 -10.634 2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.984 -10.203 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.992 -11.334 4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.698 -9.244 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.199 -8.348 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.622 -8.500 6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.328 -9.637 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.267 -10.407 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.756 -11.451 6.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.158 -10.514 6.065 1.00 0.00 H new ATOM 910 N ARG A 59 10.550 -8.683 0.853 1.00 0.00 N ATOM 911 CA ARG A 59 11.466 -7.549 0.852 1.00 0.00 C ATOM 912 C ARG A 59 10.909 -6.402 0.013 1.00 0.00 C ATOM 913 O ARG A 59 10.715 -5.292 0.510 1.00 0.00 O ATOM 914 CB ARG A 59 12.834 -7.971 0.313 1.00 0.00 C ATOM 915 CG ARG A 59 13.932 -6.952 0.573 1.00 0.00 C ATOM 916 CD ARG A 59 14.255 -6.847 2.055 1.00 0.00 C ATOM 917 NE ARG A 59 15.431 -6.017 2.301 1.00 0.00 N ATOM 918 CZ ARG A 59 16.678 -6.466 2.216 1.00 0.00 C ATOM 919 NH1 ARG A 59 16.911 -7.730 1.892 1.00 0.00 N ATOM 920 NH2 ARG A 59 17.696 -5.649 2.455 1.00 0.00 N ATOM 0 H ARG A 59 10.968 -9.563 0.552 1.00 0.00 H new ATOM 0 HA ARG A 59 11.579 -7.204 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.117 -8.921 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.755 -8.142 -0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.830 -7.234 0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.622 -5.977 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.399 -6.428 2.584 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.424 -7.844 2.461 1.00 0.00 H new ATOM 0 HE ARG A 59 15.287 -5.039 2.552 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.131 -8.361 1.707 1.00 0.00 H new ATOM 0 HH12 ARG A 59 17.870 -8.072 1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 59 17.521 -4.676 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.653 -5.995 2.390 1.00 0.00 H new ATOM 934 N VAL A 60 10.655 -6.678 -1.263 1.00 0.00 N ATOM 935 CA VAL A 60 10.120 -5.670 -2.171 1.00 0.00 C ATOM 936 C VAL A 60 8.868 -5.018 -1.593 1.00 0.00 C ATOM 937 O VAL A 60 8.622 -3.830 -1.800 1.00 0.00 O ATOM 938 CB VAL A 60 9.782 -6.276 -3.546 1.00 0.00 C ATOM 939 CG1 VAL A 60 9.146 -5.230 -4.449 1.00 0.00 C ATOM 940 CG2 VAL A 60 11.029 -6.862 -4.190 1.00 0.00 C ATOM 0 H VAL A 60 10.811 -7.591 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 60 10.895 -4.914 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 60 9.062 -7.082 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.914 -5.677 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.228 -4.862 -3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.839 -4.401 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.772 -7.286 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.773 -6.077 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.436 -7.644 -3.549 1.00 0.00 H new ATOM 950 N VAL A 61 8.080 -5.804 -0.867 1.00 0.00 N ATOM 951 CA VAL A 61 6.854 -5.304 -0.257 1.00 0.00 C ATOM 952 C VAL A 61 7.157 -4.479 0.989 1.00 0.00 C ATOM 953 O VAL A 61 6.482 -3.489 1.268 1.00 0.00 O ATOM 954 CB VAL A 61 5.905 -6.456 0.122 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.684 -5.923 0.857 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.492 -7.235 -1.118 1.00 0.00 C ATOM 0 H VAL A 61 8.269 -6.790 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 61 6.367 -4.671 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 61 6.435 -7.135 0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.025 -6.752 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.001 -5.413 1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.150 -5.222 0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.821 -8.045 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.980 -6.569 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.378 -7.650 -1.599 1.00 0.00 H new ATOM 966 N GLN A 62 8.176 -4.895 1.734 1.00 0.00 N ATOM 967 CA GLN A 62 8.568 -4.194 2.951 1.00 0.00 C ATOM 968 C GLN A 62 9.173 -2.832 2.624 1.00 0.00 C ATOM 969 O GLN A 62 8.750 -1.808 3.162 1.00 0.00 O ATOM 970 CB GLN A 62 9.570 -5.032 3.747 1.00 0.00 C ATOM 971 CG GLN A 62 10.450 -4.209 4.674 1.00 0.00 C ATOM 972 CD GLN A 62 11.354 -5.069 5.536 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.434 -4.883 6.750 1.00 0.00 O ATOM 974 NE2 GLN A 62 12.041 -6.017 4.910 1.00 0.00 N ATOM 0 H GLN A 62 8.745 -5.713 1.516 1.00 0.00 H new ATOM 0 HA GLN A 62 7.674 -4.039 3.555 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.026 -5.770 4.336 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.204 -5.583 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.060 -3.529 4.080 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.820 -3.594 5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.944 -6.136 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.666 -6.627 5.437 1.00 0.00 H new ATOM 983 N VAL A 63 10.164 -2.827 1.739 1.00 0.00 N ATOM 984 CA VAL A 63 10.827 -1.591 1.340 1.00 0.00 C ATOM 985 C VAL A 63 9.846 -0.633 0.673 1.00 0.00 C ATOM 986 O VAL A 63 9.786 0.548 1.016 1.00 0.00 O ATOM 987 CB VAL A 63 11.995 -1.867 0.375 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.617 -0.561 -0.098 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.037 -2.753 1.040 1.00 0.00 C ATOM 0 H VAL A 63 10.526 -3.665 1.284 1.00 0.00 H new ATOM 0 HA VAL A 63 11.217 -1.133 2.249 1.00 0.00 H new ATOM 0 HB VAL A 63 11.607 -2.393 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.441 -0.776 -0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.864 0.034 -0.615 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.992 -0.005 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.855 -2.938 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.423 -2.256 1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.581 -3.701 1.324 1.00 0.00 H new ATOM 999 N TRP A 64 9.080 -1.149 -0.281 1.00 0.00 N ATOM 1000 CA TRP A 64 8.101 -0.338 -0.996 1.00 0.00 C ATOM 1001 C TRP A 64 7.350 0.580 -0.039 1.00 0.00 C ATOM 1002 O TRP A 64 6.856 1.636 -0.435 1.00 0.00 O ATOM 1003 CB TRP A 64 7.112 -1.236 -1.742 1.00 0.00 C ATOM 1004 CG TRP A 64 6.093 -0.471 -2.531 1.00 0.00 C ATOM 1005 CD1 TRP A 64 6.163 -0.138 -3.853 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.854 0.057 -2.046 1.00 0.00 C ATOM 1007 NE1 TRP A 64 5.041 0.566 -4.220 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.222 0.698 -3.130 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.215 0.049 -0.803 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.985 1.325 -3.005 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.987 0.672 -0.681 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.382 1.302 -1.777 1.00 0.00 C ATOM 0 H TRP A 64 9.118 -2.124 -0.577 1.00 0.00 H new ATOM 0 HA TRP A 64 8.636 0.280 -1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.664 -1.892 -2.415 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.599 -1.875 -1.023 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.980 -0.390 -4.513 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.849 0.931 -5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.672 -0.435 0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.518 1.812 -3.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.485 0.673 0.275 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.421 1.779 -1.650 1.00 0.00 H new ATOM 1023 N PHE A 65 7.268 0.172 1.224 1.00 0.00 N ATOM 1024 CA PHE A 65 6.576 0.959 2.238 1.00 0.00 C ATOM 1025 C PHE A 65 7.469 2.083 2.756 1.00 0.00 C ATOM 1026 O PHE A 65 7.062 3.244 2.794 1.00 0.00 O ATOM 1027 CB PHE A 65 6.140 0.063 3.399 1.00 0.00 C ATOM 1028 CG PHE A 65 4.764 -0.515 3.226 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.492 -1.393 2.189 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.742 -0.179 4.099 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.227 -1.925 2.027 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.475 -0.708 3.943 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.217 -1.583 2.906 1.00 0.00 C ATOM 0 H PHE A 65 7.672 -0.699 1.569 1.00 0.00 H new ATOM 0 HA PHE A 65 5.693 1.402 1.779 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.856 -0.751 3.508 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.170 0.640 4.324 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.278 -1.665 1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.938 0.505 4.912 1.00 0.00 H new ATOM 0 HE1 PHE A 65 3.028 -2.608 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.688 -0.438 4.631 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.228 -1.999 2.782 1.00 0.00 H new ATOM 1043 N GLN A 66 8.686 1.728 3.155 1.00 0.00 N ATOM 1044 CA GLN A 66 9.635 2.706 3.673 1.00 0.00 C ATOM 1045 C GLN A 66 9.919 3.790 2.638 1.00 0.00 C ATOM 1046 O GLN A 66 10.242 4.924 2.986 1.00 0.00 O ATOM 1047 CB GLN A 66 10.940 2.017 4.078 1.00 0.00 C ATOM 1048 CG GLN A 66 11.856 1.712 2.904 1.00 0.00 C ATOM 1049 CD GLN A 66 13.280 1.421 3.336 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.122 2.319 3.387 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.558 0.161 3.651 1.00 0.00 N ATOM 0 H GLN A 66 9.038 0.771 3.129 1.00 0.00 H new ATOM 0 HA GLN A 66 9.192 3.175 4.552 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.471 2.651 4.787 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.705 1.087 4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.464 0.855 2.355 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.854 2.558 2.217 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.830 -0.551 3.595 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.499 -0.094 3.949 1.00 0.00 H new ATOM 1060 N ASN A 67 9.797 3.431 1.364 1.00 0.00 N ATOM 1061 CA ASN A 67 10.041 4.373 0.278 1.00 0.00 C ATOM 1062 C ASN A 67 8.879 5.351 0.134 1.00 0.00 C ATOM 1063 O ASN A 67 9.081 6.556 -0.015 1.00 0.00 O ATOM 1064 CB ASN A 67 10.256 3.622 -1.038 1.00 0.00 C ATOM 1065 CG ASN A 67 11.708 3.247 -1.260 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.599 4.092 -1.170 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.953 1.975 -1.550 1.00 0.00 N ATOM 0 H ASN A 67 9.531 2.495 1.059 1.00 0.00 H new ATOM 0 HA ASN A 67 10.941 4.939 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.646 2.719 -1.041 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.913 4.241 -1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.911 1.663 -1.708 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.183 1.309 -1.614 1.00 0.00 H new ATOM 1074 N THR A 68 7.659 4.824 0.181 1.00 0.00 N ATOM 1075 CA THR A 68 6.464 5.649 0.056 1.00 0.00 C ATOM 1076 C THR A 68 6.432 6.735 1.125 1.00 0.00 C ATOM 1077 O THR A 68 6.144 7.896 0.835 1.00 0.00 O ATOM 1078 CB THR A 68 5.183 4.801 0.162 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.176 3.793 -0.856 1.00 0.00 O ATOM 1080 CG2 THR A 68 3.944 5.674 0.026 1.00 0.00 C ATOM 0 H THR A 68 7.473 3.829 0.305 1.00 0.00 H new ATOM 0 HA THR A 68 6.502 6.114 -0.929 1.00 0.00 H new ATOM 0 HB THR A 68 5.169 4.326 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.814 3.087 -0.621 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.051 5.053 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.937 6.422 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.955 6.173 -0.943 1.00 0.00 H new ATOM 1088 N ARG A 69 6.728 6.350 2.362 1.00 0.00 N ATOM 1089 CA ARG A 69 6.732 7.292 3.475 1.00 0.00 C ATOM 1090 C ARG A 69 7.646 8.477 3.180 1.00 0.00 C ATOM 1091 O ARG A 69 7.250 9.632 3.334 1.00 0.00 O ATOM 1092 CB ARG A 69 7.182 6.594 4.760 1.00 0.00 C ATOM 1093 CG ARG A 69 6.062 5.860 5.479 1.00 0.00 C ATOM 1094 CD ARG A 69 6.521 5.325 6.826 1.00 0.00 C ATOM 1095 NE ARG A 69 7.438 4.197 6.683 1.00 0.00 N ATOM 1096 CZ ARG A 69 8.322 3.846 7.610 1.00 0.00 C ATOM 1097 NH1 ARG A 69 8.407 4.531 8.742 1.00 0.00 N ATOM 1098 NH2 ARG A 69 9.122 2.807 7.406 1.00 0.00 N ATOM 0 H ARG A 69 6.968 5.393 2.619 1.00 0.00 H new ATOM 0 HA ARG A 69 5.716 7.663 3.608 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.974 5.885 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.611 7.335 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.217 6.534 5.623 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.710 5.035 4.860 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.011 6.122 7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.653 5.015 7.408 1.00 0.00 H new ATOM 0 HE ARG A 69 7.397 3.649 5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.793 5.329 8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.087 4.260 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.058 2.277 6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.801 2.538 8.119 1.00 0.00 H new ATOM 1112 N ALA A 70 8.871 8.183 2.757 1.00 0.00 N ATOM 1113 CA ALA A 70 9.840 9.224 2.439 1.00 0.00 C ATOM 1114 C ALA A 70 9.275 10.209 1.421 1.00 0.00 C ATOM 1115 O ALA A 70 9.457 11.420 1.548 1.00 0.00 O ATOM 1116 CB ALA A 70 11.129 8.605 1.919 1.00 0.00 C ATOM 0 H ALA A 70 9.216 7.232 2.627 1.00 0.00 H new ATOM 0 HA ALA A 70 10.058 9.774 3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.843 9.394 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.550 7.948 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.918 8.028 1.018 1.00 0.00 H new ATOM 1122 N ARG A 71 8.590 9.681 0.412 1.00 0.00 N ATOM 1123 CA ARG A 71 8.000 10.514 -0.629 1.00 0.00 C ATOM 1124 C ARG A 71 6.812 11.303 -0.086 1.00 0.00 C ATOM 1125 O ARG A 71 6.652 12.485 -0.385 1.00 0.00 O ATOM 1126 CB ARG A 71 7.556 9.651 -1.811 1.00 0.00 C ATOM 1127 CG ARG A 71 8.703 8.950 -2.519 1.00 0.00 C ATOM 1128 CD ARG A 71 8.367 8.658 -3.973 1.00 0.00 C ATOM 1129 NE ARG A 71 9.498 8.076 -4.691 1.00 0.00 N ATOM 1130 CZ ARG A 71 9.421 7.616 -5.934 1.00 0.00 C ATOM 1131 NH1 ARG A 71 8.272 7.670 -6.595 1.00 0.00 N ATOM 1132 NH2 ARG A 71 10.494 7.101 -6.520 1.00 0.00 N ATOM 0 H ARG A 71 8.430 8.681 0.293 1.00 0.00 H new ATOM 0 HA ARG A 71 8.758 11.220 -0.968 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.847 8.902 -1.457 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.026 10.278 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.597 9.572 -2.469 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.934 8.018 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.519 7.975 -4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.061 9.580 -4.466 1.00 0.00 H new ATOM 0 HE ARG A 71 10.396 8.020 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.445 8.066 -6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.216 7.316 -7.550 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.379 7.058 -6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.434 6.748 -7.475 1.00 0.00 H new ATOM 1146 N GLU A 72 5.982 10.639 0.713 1.00 0.00 N ATOM 1147 CA GLU A 72 4.809 11.278 1.295 1.00 0.00 C ATOM 1148 C GLU A 72 5.214 12.437 2.201 1.00 0.00 C ATOM 1149 O GLU A 72 4.584 13.495 2.193 1.00 0.00 O ATOM 1150 CB GLU A 72 3.987 10.260 2.089 1.00 0.00 C ATOM 1151 CG GLU A 72 2.941 9.540 1.255 1.00 0.00 C ATOM 1152 CD GLU A 72 1.691 10.371 1.042 1.00 0.00 C ATOM 1153 OE1 GLU A 72 1.445 11.292 1.850 1.00 0.00 O ATOM 1154 OE2 GLU A 72 0.959 10.102 0.067 1.00 0.00 O ATOM 0 H GLU A 72 6.101 9.659 0.971 1.00 0.00 H new ATOM 0 HA GLU A 72 4.200 11.671 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.661 9.523 2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.492 10.770 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.369 9.280 0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.672 8.605 1.745 1.00 0.00 H new ATOM 1161 N ARG A 73 6.269 12.230 2.982 1.00 0.00 N ATOM 1162 CA ARG A 73 6.758 13.256 3.895 1.00 0.00 C ATOM 1163 C ARG A 73 7.409 14.402 3.126 1.00 0.00 C ATOM 1164 O ARG A 73 7.214 15.573 3.453 1.00 0.00 O ATOM 1165 CB ARG A 73 7.762 12.655 4.881 1.00 0.00 C ATOM 1166 CG ARG A 73 9.016 12.110 4.217 1.00 0.00 C ATOM 1167 CD ARG A 73 10.058 11.701 5.247 1.00 0.00 C ATOM 1168 NE ARG A 73 10.735 12.857 5.829 1.00 0.00 N ATOM 1169 CZ ARG A 73 11.741 13.493 5.239 1.00 0.00 C ATOM 1170 NH1 ARG A 73 12.183 13.089 4.057 1.00 0.00 N ATOM 1171 NH2 ARG A 73 12.306 14.537 5.832 1.00 0.00 N ATOM 0 H ARG A 73 6.802 11.360 3.001 1.00 0.00 H new ATOM 0 HA ARG A 73 5.906 13.650 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.047 13.417 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.277 11.852 5.436 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.757 11.251 3.598 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.436 12.866 3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.579 11.125 6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.794 11.048 4.778 1.00 0.00 H new ATOM 0 HE ARG A 73 10.418 13.194 6.738 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.751 12.288 3.598 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.956 13.579 3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.968 14.852 6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.078 15.025 5.378 1.00 0.00 H new ATOM 1185 N LYS A 74 8.182 14.058 2.101 1.00 0.00 N ATOM 1186 CA LYS A 74 8.861 15.057 1.285 1.00 0.00 C ATOM 1187 C LYS A 74 7.972 16.277 1.067 1.00 0.00 C ATOM 1188 O LYS A 74 7.003 16.224 0.311 1.00 0.00 O ATOM 1189 CB LYS A 74 9.259 14.456 -0.066 1.00 0.00 C ATOM 1190 CG LYS A 74 10.641 13.825 -0.066 1.00 0.00 C ATOM 1191 CD LYS A 74 11.291 13.910 -1.437 1.00 0.00 C ATOM 1192 CE LYS A 74 10.580 13.023 -2.448 1.00 0.00 C ATOM 1193 NZ LYS A 74 9.413 13.712 -3.065 1.00 0.00 N ATOM 0 H LYS A 74 8.354 13.094 1.816 1.00 0.00 H new ATOM 0 HA LYS A 74 9.759 15.374 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.524 13.702 -0.350 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.225 15.237 -0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.271 14.326 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.566 12.781 0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.276 14.943 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.337 13.613 -1.364 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.281 12.727 -3.228 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.245 12.109 -1.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.280 13.367 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.558 13.513 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 9.585 14.738 -3.082 1.00 0.00 H new ATOM 1207 N SER A 75 8.310 17.376 1.735 1.00 0.00 N ATOM 1208 CA SER A 75 7.541 18.609 1.617 1.00 0.00 C ATOM 1209 C SER A 75 7.948 19.385 0.368 1.00 0.00 C ATOM 1210 O SER A 75 9.111 19.753 0.204 1.00 0.00 O ATOM 1211 CB SER A 75 7.738 19.480 2.859 1.00 0.00 C ATOM 1212 OG SER A 75 7.085 20.729 2.716 1.00 0.00 O ATOM 0 H SER A 75 9.111 17.437 2.363 1.00 0.00 H new ATOM 0 HA SER A 75 6.487 18.344 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.350 18.962 3.736 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.803 19.640 3.029 1.00 0.00 H new ATOM 0 HG SER A 75 7.225 21.266 3.524 1.00 0.00 H new ATOM 1218 N GLY A 76 6.981 19.631 -0.510 1.00 0.00 N ATOM 1219 CA GLY A 76 7.257 20.362 -1.733 1.00 0.00 C ATOM 1220 C GLY A 76 6.200 21.405 -2.037 1.00 0.00 C ATOM 1221 O GLY A 76 5.103 21.388 -1.479 1.00 0.00 O ATOM 0 H GLY A 76 6.011 19.337 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.229 20.848 -1.650 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.321 19.661 -2.565 1.00 0.00 H new ATOM 1225 N PRO A 77 6.528 22.340 -2.941 1.00 0.00 N ATOM 1226 CA PRO A 77 5.612 23.414 -3.338 1.00 0.00 C ATOM 1227 C PRO A 77 4.433 22.897 -4.155 1.00 0.00 C ATOM 1228 O PRO A 77 4.377 21.719 -4.505 1.00 0.00 O ATOM 1229 CB PRO A 77 6.491 24.334 -4.189 1.00 0.00 C ATOM 1230 CG PRO A 77 7.568 23.448 -4.715 1.00 0.00 C ATOM 1231 CD PRO A 77 7.819 22.421 -3.646 1.00 0.00 C ATOM 0 HA PRO A 77 5.165 23.908 -2.476 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.921 24.788 -4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.904 25.149 -3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.262 22.974 -5.648 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.472 24.018 -4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 77 8.105 21.459 -4.072 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.624 22.726 -2.977 1.00 0.00 H new ATOM 1239 N SER A 78 3.493 23.787 -4.456 1.00 0.00 N ATOM 1240 CA SER A 78 2.313 23.420 -5.231 1.00 0.00 C ATOM 1241 C SER A 78 2.150 24.336 -6.440 1.00 0.00 C ATOM 1242 O SER A 78 2.083 23.873 -7.578 1.00 0.00 O ATOM 1243 CB SER A 78 1.061 23.487 -4.354 1.00 0.00 C ATOM 1244 OG SER A 78 1.035 22.421 -3.421 1.00 0.00 O ATOM 0 H SER A 78 3.525 24.767 -4.175 1.00 0.00 H new ATOM 0 HA SER A 78 2.445 22.398 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.035 24.439 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.171 23.447 -4.982 1.00 0.00 H new ATOM 0 HG SER A 78 0.226 22.487 -2.871 1.00 0.00 H new ATOM 1250 N SER A 79 2.088 25.639 -6.184 1.00 0.00 N ATOM 1251 CA SER A 79 1.929 26.621 -7.250 1.00 0.00 C ATOM 1252 C SER A 79 3.267 26.916 -7.920 1.00 0.00 C ATOM 1253 O SER A 79 4.111 27.619 -7.365 1.00 0.00 O ATOM 1254 CB SER A 79 1.327 27.914 -6.696 1.00 0.00 C ATOM 1255 OG SER A 79 -0.060 27.763 -6.443 1.00 0.00 O ATOM 0 H SER A 79 2.145 26.039 -5.247 1.00 0.00 H new ATOM 0 HA SER A 79 1.252 26.204 -7.996 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.840 28.192 -5.775 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.484 28.726 -7.406 1.00 0.00 H new ATOM 0 HG SER A 79 -0.421 28.602 -6.088 1.00 0.00 H new ATOM 1261 N GLY A 80 3.454 26.374 -9.119 1.00 0.00 N ATOM 1262 CA GLY A 80 4.691 26.590 -9.847 1.00 0.00 C ATOM 1263 C GLY A 80 5.521 25.327 -9.966 1.00 0.00 C ATOM 1264 O GLY A 80 5.481 24.645 -10.990 1.00 0.00 O ATOM 0 H GLY A 80 2.771 25.789 -9.600 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.461 26.966 -10.844 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.276 27.360 -9.343 1.00 0.00 H new TER 1268 GLY A 80