USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 704 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 69 GLN : amide:sc= 0.259 K(o=0.63,f=-3.7) USER MOD Set 2.2: A 72 LYS NZ :NH3+ -161:sc= 0.37 (180deg=0) USER MOD Set 3.1: A 36 THR OG1 : rot -135:sc= 0.194 USER MOD Set 3.2: A 38 ASN : amide:sc= -1.55 K(o=-1.4,f=-4.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 10 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 12 ASN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.264 K(o=-0.26,f=-1.8!) USER MOD Single : A 14 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.8!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.2!) USER MOD Single : A 18 GLN : amide:sc= 0.386 X(o=0.39,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 168:sc=-0.00841 (180deg=-0.121) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 22 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.8!) USER MOD Single : A 27 GLN : amide:sc= 0.411 K(o=0.41,f=-2) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -126:sc= -0.0695 (180deg=-1.46!) USER MOD Single : A 33 SER OG : rot -72:sc= -0.279 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 95:sc= 0.929 USER MOD Single : A 48 MET CE :methyl -176:sc= -0.849 (180deg=-0.881) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.252 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -119:sc= -0.706 (180deg=-2.63!) USER MOD Single : A 83 LYS NZ :NH3+ -118:sc= -0.521 (180deg=-1.81!) USER MOD Single : A 85 GLN : amide:sc= -0.532 K(o=-0.53,f=-1.7!) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : A 89 THR OG1 : rot 180:sc=0.000875 USER MOD Single : A 91 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.136 -30.329 -10.339 1.00 0.00 N ATOM 2 CA GLY A 1 -3.039 -31.440 -9.931 1.00 0.00 C ATOM 3 C GLY A 1 -3.227 -32.469 -11.031 1.00 0.00 C ATOM 4 O GLY A 1 -3.844 -32.174 -12.055 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.040 -29.653 -9.554 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.200 -30.713 -10.581 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.536 -29.843 -11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.632 -31.929 -9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.010 -31.031 -9.651 1.00 0.00 H new ATOM 10 N PRO A 2 -2.705 -33.696 -10.852 1.00 0.00 N ATOM 11 CA PRO A 2 -2.835 -34.758 -11.857 1.00 0.00 C ATOM 12 C PRO A 2 -4.290 -35.154 -12.092 1.00 0.00 C ATOM 13 O PRO A 2 -4.736 -35.272 -13.233 1.00 0.00 O ATOM 14 CB PRO A 2 -2.052 -35.930 -11.252 1.00 0.00 C ATOM 15 CG PRO A 2 -2.000 -35.646 -9.790 1.00 0.00 C ATOM 16 CD PRO A 2 -1.953 -34.151 -9.668 1.00 0.00 C ATOM 0 HA PRO A 2 -2.462 -34.442 -12.831 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.547 -36.880 -11.452 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.050 -35.997 -11.677 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -2.874 -36.053 -9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.123 -36.104 -9.333 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.413 -33.807 -8.742 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.929 -33.778 -9.673 1.00 0.00 H new ATOM 24 N LEU A 3 -5.021 -35.357 -11.001 1.00 0.00 N ATOM 25 CA LEU A 3 -6.425 -35.743 -11.076 1.00 0.00 C ATOM 26 C LEU A 3 -7.317 -34.522 -11.300 1.00 0.00 C ATOM 27 O LEU A 3 -7.050 -33.442 -10.774 1.00 0.00 O ATOM 28 CB LEU A 3 -6.840 -36.474 -9.794 1.00 0.00 C ATOM 29 CG LEU A 3 -6.807 -35.630 -8.517 1.00 0.00 C ATOM 30 CD1 LEU A 3 -7.929 -36.046 -7.578 1.00 0.00 C ATOM 31 CD2 LEU A 3 -5.459 -35.758 -7.819 1.00 0.00 C ATOM 0 H LEU A 3 -4.662 -35.260 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.550 -36.415 -11.925 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.850 -36.861 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.184 -37.334 -9.658 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.951 -34.586 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.892 -35.437 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.890 -35.903 -8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.810 -37.096 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.459 -35.150 -6.914 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.283 -36.801 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -4.669 -35.415 -8.487 1.00 0.00 H new ATOM 43 N GLY A 4 -8.372 -34.701 -12.092 1.00 0.00 N ATOM 44 CA GLY A 4 -9.283 -33.605 -12.380 1.00 0.00 C ATOM 45 C GLY A 4 -10.507 -33.607 -11.485 1.00 0.00 C ATOM 46 O GLY A 4 -11.093 -34.658 -11.229 1.00 0.00 O ATOM 0 H GLY A 4 -8.612 -35.586 -12.539 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.754 -32.659 -12.263 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.600 -33.666 -13.421 1.00 0.00 H new ATOM 50 N SER A 5 -10.884 -32.424 -11.003 1.00 0.00 N ATOM 51 CA SER A 5 -12.044 -32.282 -10.126 1.00 0.00 C ATOM 52 C SER A 5 -13.246 -31.685 -10.866 1.00 0.00 C ATOM 53 O SER A 5 -13.465 -30.475 -10.819 1.00 0.00 O ATOM 54 CB SER A 5 -11.688 -31.400 -8.926 1.00 0.00 C ATOM 55 OG SER A 5 -11.416 -32.184 -7.778 1.00 0.00 O ATOM 0 H SER A 5 -10.402 -31.548 -11.206 1.00 0.00 H new ATOM 0 HA SER A 5 -12.322 -33.278 -9.782 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.819 -30.788 -9.166 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.511 -30.717 -8.717 1.00 0.00 H new ATOM 0 HG SER A 5 -11.190 -31.597 -7.027 1.00 0.00 H new ATOM 61 N PRO A 6 -14.052 -32.519 -11.550 1.00 0.00 N ATOM 62 CA PRO A 6 -15.233 -32.042 -12.279 1.00 0.00 C ATOM 63 C PRO A 6 -16.144 -31.188 -11.400 1.00 0.00 C ATOM 64 O PRO A 6 -16.608 -31.638 -10.353 1.00 0.00 O ATOM 65 CB PRO A 6 -15.952 -33.329 -12.683 1.00 0.00 C ATOM 66 CG PRO A 6 -14.888 -34.371 -12.711 1.00 0.00 C ATOM 67 CD PRO A 6 -13.884 -33.979 -11.662 1.00 0.00 C ATOM 0 HA PRO A 6 -14.959 -31.408 -13.122 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -16.736 -33.584 -11.970 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -16.429 -33.226 -13.658 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -15.304 -35.357 -12.502 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.422 -34.424 -13.695 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.079 -34.479 -10.713 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.869 -34.244 -11.959 1.00 0.00 H new ATOM 75 N ARG A 7 -16.395 -29.955 -11.831 1.00 0.00 N ATOM 76 CA ARG A 7 -17.251 -29.047 -11.073 1.00 0.00 C ATOM 77 C ARG A 7 -18.727 -29.364 -11.296 1.00 0.00 C ATOM 78 O ARG A 7 -19.277 -29.106 -12.366 1.00 0.00 O ATOM 79 CB ARG A 7 -16.958 -27.593 -11.453 1.00 0.00 C ATOM 80 CG ARG A 7 -17.131 -27.292 -12.935 1.00 0.00 C ATOM 81 CD ARG A 7 -17.878 -25.986 -13.156 1.00 0.00 C ATOM 82 NE ARG A 7 -18.795 -26.065 -14.292 1.00 0.00 N ATOM 83 CZ ARG A 7 -20.124 -26.018 -14.186 1.00 0.00 C ATOM 84 NH1 ARG A 7 -20.708 -25.913 -12.998 1.00 0.00 N ATOM 85 NH2 ARG A 7 -20.873 -26.082 -15.278 1.00 0.00 N ATOM 0 H ARG A 7 -16.021 -29.563 -12.695 1.00 0.00 H new ATOM 0 HA ARG A 7 -17.031 -29.186 -10.014 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -17.616 -26.939 -10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.936 -27.351 -11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -16.153 -27.238 -13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -17.674 -28.108 -13.412 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -18.437 -25.731 -12.256 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.161 -25.182 -13.324 1.00 0.00 H new ATOM 0 HE ARG A 7 -18.393 -26.162 -15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -20.139 -25.867 -12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -21.725 -25.878 -12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.433 -26.167 -16.194 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -21.890 -26.046 -15.202 1.00 0.00 H new ATOM 99 N ASN A 8 -19.363 -29.925 -10.272 1.00 0.00 N ATOM 100 CA ASN A 8 -20.776 -30.276 -10.349 1.00 0.00 C ATOM 101 C ASN A 8 -21.648 -29.045 -10.125 1.00 0.00 C ATOM 102 O ASN A 8 -22.271 -28.534 -11.057 1.00 0.00 O ATOM 103 CB ASN A 8 -21.113 -31.354 -9.316 1.00 0.00 C ATOM 104 CG ASN A 8 -21.386 -32.701 -9.956 1.00 0.00 C ATOM 105 OD1 ASN A 8 -22.249 -32.825 -10.824 1.00 0.00 O ATOM 106 ND2 ASN A 8 -20.649 -33.720 -9.527 1.00 0.00 N ATOM 0 H ASN A 8 -18.922 -30.146 -9.379 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.978 -30.668 -11.346 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.287 -31.450 -8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.986 -31.044 -8.742 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.788 -34.651 -9.920 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.944 -33.571 -8.805 1.00 0.00 H new ATOM 113 N ALA A 9 -21.685 -28.570 -8.885 1.00 0.00 N ATOM 114 CA ALA A 9 -22.476 -27.395 -8.541 1.00 0.00 C ATOM 115 C ALA A 9 -21.870 -26.135 -9.147 1.00 0.00 C ATOM 116 O ALA A 9 -20.945 -26.205 -9.956 1.00 0.00 O ATOM 117 CB ALA A 9 -22.592 -27.257 -7.030 1.00 0.00 C ATOM 0 H ALA A 9 -21.177 -28.981 -8.102 1.00 0.00 H new ATOM 0 HA ALA A 9 -23.475 -27.524 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -23.186 -26.375 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -23.076 -28.143 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -21.597 -27.154 -6.597 1.00 0.00 H new ATOM 123 N ASN A 10 -22.398 -24.983 -8.750 1.00 0.00 N ATOM 124 CA ASN A 10 -21.909 -23.706 -9.256 1.00 0.00 C ATOM 125 C ASN A 10 -20.792 -23.157 -8.372 1.00 0.00 C ATOM 126 O ASN A 10 -21.053 -22.504 -7.361 1.00 0.00 O ATOM 127 CB ASN A 10 -23.052 -22.694 -9.338 1.00 0.00 C ATOM 128 CG ASN A 10 -23.842 -22.816 -10.627 1.00 0.00 C ATOM 129 OD1 ASN A 10 -23.904 -21.878 -11.422 1.00 0.00 O ATOM 130 ND2 ASN A 10 -24.452 -23.975 -10.840 1.00 0.00 N ATOM 0 H ASN A 10 -23.164 -24.907 -8.080 1.00 0.00 H new ATOM 0 HA ASN A 10 -21.507 -23.873 -10.255 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -23.722 -22.837 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -22.647 -21.685 -9.258 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -24.999 -24.115 -11.690 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -24.374 -24.726 -10.154 1.00 0.00 H new ATOM 137 N ASP A 11 -19.550 -23.421 -8.762 1.00 0.00 N ATOM 138 CA ASP A 11 -18.396 -22.948 -8.006 1.00 0.00 C ATOM 139 C ASP A 11 -18.215 -21.446 -8.188 1.00 0.00 C ATOM 140 O ASP A 11 -18.402 -20.918 -9.284 1.00 0.00 O ATOM 141 CB ASP A 11 -17.130 -23.683 -8.450 1.00 0.00 C ATOM 142 CG ASP A 11 -16.948 -23.667 -9.955 1.00 0.00 C ATOM 143 OD1 ASP A 11 -17.512 -24.552 -10.631 1.00 0.00 O ATOM 144 OD2 ASP A 11 -16.242 -22.768 -10.457 1.00 0.00 O ATOM 0 H ASP A 11 -19.316 -23.959 -9.596 1.00 0.00 H new ATOM 0 HA ASP A 11 -18.572 -23.154 -6.950 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -16.262 -23.223 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.172 -24.715 -8.103 1.00 0.00 H new ATOM 149 N ASN A 12 -17.856 -20.762 -7.110 1.00 0.00 N ATOM 150 CA ASN A 12 -17.659 -19.318 -7.159 1.00 0.00 C ATOM 151 C ASN A 12 -16.181 -18.966 -7.296 1.00 0.00 C ATOM 152 O ASN A 12 -15.458 -18.873 -6.303 1.00 0.00 O ATOM 153 CB ASN A 12 -18.240 -18.662 -5.905 1.00 0.00 C ATOM 154 CG ASN A 12 -19.690 -18.261 -6.087 1.00 0.00 C ATOM 155 OD1 ASN A 12 -20.089 -17.151 -5.735 1.00 0.00 O ATOM 156 ND2 ASN A 12 -20.489 -19.167 -6.637 1.00 0.00 N ATOM 0 H ASN A 12 -17.696 -21.181 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 12 -18.181 -18.938 -8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.159 -19.352 -5.065 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.650 -17.781 -5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.476 -18.955 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -20.116 -20.075 -6.914 1.00 0.00 H new ATOM 163 N ASN A 13 -15.741 -18.762 -8.533 1.00 0.00 N ATOM 164 CA ASN A 13 -14.353 -18.408 -8.806 1.00 0.00 C ATOM 165 C ASN A 13 -14.283 -17.250 -9.793 1.00 0.00 C ATOM 166 O ASN A 13 -13.404 -17.204 -10.654 1.00 0.00 O ATOM 167 CB ASN A 13 -13.585 -19.614 -9.352 1.00 0.00 C ATOM 168 CG ASN A 13 -12.347 -19.924 -8.533 1.00 0.00 C ATOM 169 OD1 ASN A 13 -12.291 -19.633 -7.338 1.00 0.00 O ATOM 170 ND2 ASN A 13 -11.346 -20.515 -9.174 1.00 0.00 N ATOM 0 H ASN A 13 -16.327 -18.836 -9.364 1.00 0.00 H new ATOM 0 HA ASN A 13 -13.890 -18.098 -7.869 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.240 -20.485 -9.362 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.296 -19.421 -10.385 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.487 -20.746 -8.675 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -11.436 -20.738 -10.165 1.00 0.00 H new ATOM 177 N GLN A 14 -15.214 -16.314 -9.658 1.00 0.00 N ATOM 178 CA GLN A 14 -15.260 -15.152 -10.533 1.00 0.00 C ATOM 179 C GLN A 14 -14.134 -14.179 -10.200 1.00 0.00 C ATOM 180 O GLN A 14 -14.380 -13.058 -9.754 1.00 0.00 O ATOM 181 CB GLN A 14 -16.612 -14.446 -10.409 1.00 0.00 C ATOM 182 CG GLN A 14 -17.802 -15.350 -10.692 1.00 0.00 C ATOM 183 CD GLN A 14 -18.116 -15.454 -12.172 1.00 0.00 C ATOM 184 OE1 GLN A 14 -17.768 -14.569 -12.955 1.00 0.00 O ATOM 185 NE2 GLN A 14 -18.778 -16.536 -12.563 1.00 0.00 N ATOM 0 H GLN A 14 -15.948 -16.338 -8.950 1.00 0.00 H new ATOM 0 HA GLN A 14 -15.131 -15.495 -11.559 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.708 -14.038 -9.403 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.636 -13.602 -11.099 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.600 -16.345 -10.296 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -18.677 -14.969 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -19.047 -17.244 -11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -19.018 -16.659 -13.547 1.00 0.00 H new ATOM 194 N PHE A 15 -12.894 -14.608 -10.425 1.00 0.00 N ATOM 195 CA PHE A 15 -11.734 -13.765 -10.153 1.00 0.00 C ATOM 196 C PHE A 15 -11.494 -12.787 -11.301 1.00 0.00 C ATOM 197 O PHE A 15 -10.352 -12.536 -11.688 1.00 0.00 O ATOM 198 CB PHE A 15 -10.487 -14.625 -9.932 1.00 0.00 C ATOM 199 CG PHE A 15 -10.427 -15.273 -8.575 1.00 0.00 C ATOM 200 CD1 PHE A 15 -11.476 -16.056 -8.121 1.00 0.00 C ATOM 201 CD2 PHE A 15 -9.321 -15.102 -7.758 1.00 0.00 C ATOM 202 CE1 PHE A 15 -11.424 -16.656 -6.878 1.00 0.00 C ATOM 203 CE2 PHE A 15 -9.263 -15.699 -6.512 1.00 0.00 C ATOM 204 CZ PHE A 15 -10.316 -16.478 -6.072 1.00 0.00 C ATOM 0 H PHE A 15 -12.668 -15.532 -10.794 1.00 0.00 H new ATOM 0 HA PHE A 15 -11.936 -13.195 -9.246 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.453 -15.401 -10.696 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.601 -14.005 -10.067 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -12.345 -16.199 -8.747 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.495 -14.495 -8.098 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -12.249 -17.264 -6.536 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.396 -15.557 -5.884 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.273 -16.947 -5.100 1.00 0.00 H new ATOM 214 N TYR A 16 -12.578 -12.236 -11.842 1.00 0.00 N ATOM 215 CA TYR A 16 -12.496 -11.285 -12.942 1.00 0.00 C ATOM 216 C TYR A 16 -12.546 -9.856 -12.417 1.00 0.00 C ATOM 217 O TYR A 16 -11.776 -8.996 -12.843 1.00 0.00 O ATOM 218 CB TYR A 16 -13.646 -11.519 -13.923 1.00 0.00 C ATOM 219 CG TYR A 16 -13.389 -10.975 -15.311 1.00 0.00 C ATOM 220 CD1 TYR A 16 -13.392 -9.608 -15.554 1.00 0.00 C ATOM 221 CD2 TYR A 16 -13.150 -11.831 -16.379 1.00 0.00 C ATOM 222 CE1 TYR A 16 -13.164 -9.108 -16.822 1.00 0.00 C ATOM 223 CE2 TYR A 16 -12.919 -11.339 -17.648 1.00 0.00 C ATOM 224 CZ TYR A 16 -12.927 -9.978 -17.865 1.00 0.00 C ATOM 225 OH TYR A 16 -12.699 -9.485 -19.129 1.00 0.00 O ATOM 0 H TYR A 16 -13.529 -12.435 -11.532 1.00 0.00 H new ATOM 0 HA TYR A 16 -11.548 -11.434 -13.459 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -13.838 -12.590 -13.993 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -14.550 -11.058 -13.525 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.576 -8.924 -14.739 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.145 -12.898 -16.214 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -13.171 -8.042 -16.995 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.733 -12.018 -18.467 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.548 -10.229 -19.748 1.00 0.00 H new ATOM 235 N GLN A 17 -13.458 -9.615 -11.483 1.00 0.00 N ATOM 236 CA GLN A 17 -13.614 -8.296 -10.887 1.00 0.00 C ATOM 237 C GLN A 17 -12.653 -8.120 -9.721 1.00 0.00 C ATOM 238 O GLN A 17 -12.160 -7.021 -9.467 1.00 0.00 O ATOM 239 CB GLN A 17 -15.052 -8.096 -10.406 1.00 0.00 C ATOM 240 CG GLN A 17 -16.013 -7.687 -11.508 1.00 0.00 C ATOM 241 CD GLN A 17 -17.223 -6.945 -10.976 1.00 0.00 C ATOM 242 OE1 GLN A 17 -17.228 -6.480 -9.837 1.00 0.00 O ATOM 243 NE2 GLN A 17 -18.258 -6.831 -11.801 1.00 0.00 N ATOM 0 H GLN A 17 -14.102 -10.319 -11.122 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.386 -7.549 -11.647 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -15.406 -9.022 -9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -15.062 -7.335 -9.626 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -15.490 -7.055 -12.226 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -16.343 -8.575 -12.046 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -18.210 -7.232 -12.738 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -19.100 -6.342 -11.498 1.00 0.00 H new ATOM 252 N GLN A 18 -12.390 -9.215 -9.015 1.00 0.00 N ATOM 253 CA GLN A 18 -11.487 -9.185 -7.875 1.00 0.00 C ATOM 254 C GLN A 18 -10.046 -8.982 -8.331 1.00 0.00 C ATOM 255 O GLN A 18 -9.237 -8.387 -7.619 1.00 0.00 O ATOM 256 CB GLN A 18 -11.605 -10.476 -7.064 1.00 0.00 C ATOM 257 CG GLN A 18 -12.931 -10.616 -6.334 1.00 0.00 C ATOM 258 CD GLN A 18 -13.239 -12.051 -5.955 1.00 0.00 C ATOM 259 OE1 GLN A 18 -13.098 -12.444 -4.797 1.00 0.00 O ATOM 260 NE2 GLN A 18 -13.662 -12.842 -6.934 1.00 0.00 N ATOM 0 H GLN A 18 -12.790 -10.132 -9.214 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.771 -8.345 -7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.475 -11.328 -7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.794 -10.514 -6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.912 -10.002 -5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.732 -10.231 -6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.764 -12.473 -7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.885 -13.818 -6.741 1.00 0.00 H new ATOM 269 N LYS A 19 -9.736 -9.474 -9.525 1.00 0.00 N ATOM 270 CA LYS A 19 -8.393 -9.340 -10.078 1.00 0.00 C ATOM 271 C LYS A 19 -8.013 -7.871 -10.223 1.00 0.00 C ATOM 272 O LYS A 19 -6.833 -7.521 -10.226 1.00 0.00 O ATOM 273 CB LYS A 19 -8.302 -10.039 -11.434 1.00 0.00 C ATOM 274 CG LYS A 19 -6.889 -10.458 -11.806 1.00 0.00 C ATOM 275 CD LYS A 19 -6.761 -11.969 -11.926 1.00 0.00 C ATOM 276 CE LYS A 19 -7.558 -12.505 -13.104 1.00 0.00 C ATOM 277 NZ LYS A 19 -6.974 -12.081 -14.407 1.00 0.00 N ATOM 0 H LYS A 19 -10.394 -9.968 -10.128 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.694 -9.814 -9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.943 -10.921 -11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.690 -9.372 -12.204 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.609 -9.993 -12.751 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.191 -10.093 -11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.711 -12.238 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.109 -12.439 -11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.589 -13.594 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.588 -12.154 -13.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.414 -12.623 -15.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.151 -11.067 -14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.949 -12.257 -14.402 1.00 0.00 H new ATOM 291 N GLN A 20 -9.021 -7.016 -10.330 1.00 0.00 N ATOM 292 CA GLN A 20 -8.797 -5.583 -10.462 1.00 0.00 C ATOM 293 C GLN A 20 -8.361 -4.992 -9.127 1.00 0.00 C ATOM 294 O GLN A 20 -7.521 -4.094 -9.078 1.00 0.00 O ATOM 295 CB GLN A 20 -10.069 -4.889 -10.957 1.00 0.00 C ATOM 296 CG GLN A 20 -10.123 -4.723 -12.468 1.00 0.00 C ATOM 297 CD GLN A 20 -11.535 -4.519 -12.984 1.00 0.00 C ATOM 298 OE1 GLN A 20 -12.313 -3.755 -12.413 1.00 0.00 O ATOM 299 NE2 GLN A 20 -11.872 -5.204 -14.069 1.00 0.00 N ATOM 0 H GLN A 20 -10.003 -7.291 -10.328 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.004 -5.421 -11.192 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.936 -5.463 -10.632 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.143 -3.907 -10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.508 -3.871 -12.758 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.691 -5.604 -12.942 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.195 -5.826 -14.510 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.808 -5.108 -14.462 1.00 0.00 H new ATOM 308 N ARG A 21 -8.931 -5.513 -8.043 1.00 0.00 N ATOM 309 CA ARG A 21 -8.602 -5.053 -6.698 1.00 0.00 C ATOM 310 C ARG A 21 -7.101 -5.138 -6.445 1.00 0.00 C ATOM 311 O ARG A 21 -6.460 -4.148 -6.090 1.00 0.00 O ATOM 312 CB ARG A 21 -9.342 -5.885 -5.661 1.00 0.00 C ATOM 313 CG ARG A 21 -10.817 -5.536 -5.552 1.00 0.00 C ATOM 314 CD ARG A 21 -11.649 -6.752 -5.193 1.00 0.00 C ATOM 315 NE ARG A 21 -11.314 -7.270 -3.869 1.00 0.00 N ATOM 316 CZ ARG A 21 -12.199 -7.450 -2.891 1.00 0.00 C ATOM 317 NH1 ARG A 21 -13.481 -7.154 -3.071 1.00 0.00 N ATOM 318 NH2 ARG A 21 -11.799 -7.934 -1.724 1.00 0.00 N ATOM 0 H ARG A 21 -9.627 -6.258 -8.072 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.912 -4.011 -6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.243 -6.941 -5.914 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.870 -5.745 -4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.955 -4.763 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.165 -5.122 -6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.707 -6.490 -5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.492 -7.532 -5.938 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.340 -7.509 -3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.798 -6.784 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -14.149 -7.297 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.817 -8.167 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -12.473 -8.074 -0.972 1.00 0.00 H new ATOM 332 N GLN A 22 -6.550 -6.331 -6.633 1.00 0.00 N ATOM 333 CA GLN A 22 -5.125 -6.562 -6.429 1.00 0.00 C ATOM 334 C GLN A 22 -4.296 -5.975 -7.571 1.00 0.00 C ATOM 335 O GLN A 22 -3.066 -5.969 -7.511 1.00 0.00 O ATOM 336 CB GLN A 22 -4.850 -8.063 -6.302 1.00 0.00 C ATOM 337 CG GLN A 22 -4.321 -8.471 -4.939 1.00 0.00 C ATOM 338 CD GLN A 22 -2.808 -8.423 -4.866 1.00 0.00 C ATOM 339 OE1 GLN A 22 -2.135 -8.127 -5.854 1.00 0.00 O ATOM 340 NE2 GLN A 22 -2.264 -8.713 -3.691 1.00 0.00 N ATOM 0 H GLN A 22 -7.071 -7.157 -6.928 1.00 0.00 H new ATOM 0 HA GLN A 22 -4.832 -6.060 -5.507 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.770 -8.611 -6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.130 -8.358 -7.065 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.739 -7.812 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.661 -9.481 -4.708 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.860 -8.953 -2.899 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.250 -8.696 -3.580 1.00 0.00 H new ATOM 349 N ALA A 23 -4.966 -5.488 -8.610 1.00 0.00 N ATOM 350 CA ALA A 23 -4.271 -4.909 -9.756 1.00 0.00 C ATOM 351 C ALA A 23 -3.781 -3.497 -9.450 1.00 0.00 C ATOM 352 O ALA A 23 -2.579 -3.256 -9.344 1.00 0.00 O ATOM 353 CB ALA A 23 -5.174 -4.909 -10.980 1.00 0.00 C ATOM 0 H ALA A 23 -5.983 -5.482 -8.683 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.398 -5.526 -9.967 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.641 -4.474 -11.825 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.462 -5.933 -11.220 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.068 -4.320 -10.773 1.00 0.00 H new ATOM 359 N LEU A 24 -4.717 -2.565 -9.303 1.00 0.00 N ATOM 360 CA LEU A 24 -4.371 -1.183 -9.004 1.00 0.00 C ATOM 361 C LEU A 24 -3.800 -1.065 -7.591 1.00 0.00 C ATOM 362 O LEU A 24 -2.946 -0.223 -7.323 1.00 0.00 O ATOM 363 CB LEU A 24 -5.597 -0.288 -9.173 1.00 0.00 C ATOM 364 CG LEU A 24 -5.906 0.117 -10.611 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.737 0.877 -11.216 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.234 -1.116 -11.439 1.00 0.00 C ATOM 0 H LEU A 24 -5.718 -2.742 -9.386 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.603 -0.854 -9.704 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.465 -0.804 -8.762 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.453 0.615 -8.580 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.773 0.778 -10.611 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.977 1.157 -12.242 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.545 1.776 -10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.850 0.244 -11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.453 -0.818 -12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.382 -1.796 -11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.102 -1.619 -11.014 1.00 0.00 H new ATOM 378 N GLY A 25 -4.266 -1.924 -6.689 1.00 0.00 N ATOM 379 CA GLY A 25 -3.765 -1.891 -5.327 1.00 0.00 C ATOM 380 C GLY A 25 -2.272 -2.157 -5.283 1.00 0.00 C ATOM 381 O GLY A 25 -1.521 -1.473 -4.579 1.00 0.00 O ATOM 0 H GLY A 25 -4.974 -2.635 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.977 -0.918 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.287 -2.636 -4.727 1.00 0.00 H new ATOM 385 N GLU A 26 -1.833 -3.139 -6.065 1.00 0.00 N ATOM 386 CA GLU A 26 -0.421 -3.477 -6.137 1.00 0.00 C ATOM 387 C GLU A 26 0.377 -2.269 -6.615 1.00 0.00 C ATOM 388 O GLU A 26 1.534 -2.086 -6.238 1.00 0.00 O ATOM 389 CB GLU A 26 -0.199 -4.665 -7.076 1.00 0.00 C ATOM 390 CG GLU A 26 0.347 -5.898 -6.373 1.00 0.00 C ATOM 391 CD GLU A 26 0.618 -7.043 -7.328 1.00 0.00 C ATOM 392 OE1 GLU A 26 0.872 -6.775 -8.521 1.00 0.00 O ATOM 393 OE2 GLU A 26 0.578 -8.210 -6.882 1.00 0.00 O ATOM 0 H GLU A 26 -2.436 -3.712 -6.656 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.077 -3.759 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.143 -4.919 -7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.492 -4.370 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.269 -5.637 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.364 -6.224 -5.614 1.00 0.00 H new ATOM 400 N GLN A 27 -0.262 -1.431 -7.435 1.00 0.00 N ATOM 401 CA GLN A 27 0.384 -0.229 -7.944 1.00 0.00 C ATOM 402 C GLN A 27 0.923 0.600 -6.783 1.00 0.00 C ATOM 403 O GLN A 27 2.009 1.172 -6.864 1.00 0.00 O ATOM 404 CB GLN A 27 -0.594 0.598 -8.783 1.00 0.00 C ATOM 405 CG GLN A 27 -0.224 0.671 -10.255 1.00 0.00 C ATOM 406 CD GLN A 27 -0.501 2.033 -10.858 1.00 0.00 C ATOM 407 OE1 GLN A 27 -0.272 3.064 -10.225 1.00 0.00 O ATOM 408 NE2 GLN A 27 -0.999 2.043 -12.088 1.00 0.00 N ATOM 0 H GLN A 27 -1.221 -1.565 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 27 1.215 -0.524 -8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.592 0.170 -8.689 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.641 1.609 -8.379 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.833 0.434 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -0.783 -0.086 -10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.173 1.164 -12.575 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.208 2.930 -12.546 1.00 0.00 H new ATOM 417 N LEU A 28 0.159 0.636 -5.691 1.00 0.00 N ATOM 418 CA LEU A 28 0.560 1.370 -4.495 1.00 0.00 C ATOM 419 C LEU A 28 1.919 0.874 -4.013 1.00 0.00 C ATOM 420 O LEU A 28 2.806 1.662 -3.679 1.00 0.00 O ATOM 421 CB LEU A 28 -0.486 1.191 -3.384 1.00 0.00 C ATOM 422 CG LEU A 28 -0.614 2.368 -2.412 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.192 3.576 -3.126 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.476 1.996 -1.210 1.00 0.00 C ATOM 0 H LEU A 28 -0.742 0.164 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 28 0.632 2.429 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.457 1.015 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.238 0.296 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 28 0.382 2.618 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.278 4.406 -2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.535 3.862 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.178 3.329 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.550 2.850 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.473 1.715 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.022 1.157 -0.683 1.00 0.00 H new ATOM 436 N TYR A 29 2.068 -0.444 -3.978 1.00 0.00 N ATOM 437 CA TYR A 29 3.311 -1.065 -3.531 1.00 0.00 C ATOM 438 C TYR A 29 4.463 -0.832 -4.518 1.00 0.00 C ATOM 439 O TYR A 29 5.521 -0.333 -4.133 1.00 0.00 O ATOM 440 CB TYR A 29 3.090 -2.565 -3.315 1.00 0.00 C ATOM 441 CG TYR A 29 4.353 -3.340 -3.013 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.183 -2.974 -1.961 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.711 -4.438 -3.783 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.337 -3.684 -1.685 1.00 0.00 C ATOM 445 CE2 TYR A 29 5.862 -5.152 -3.514 1.00 0.00 C ATOM 446 CZ TYR A 29 6.672 -4.771 -2.465 1.00 0.00 C ATOM 447 OH TYR A 29 7.817 -5.482 -2.195 1.00 0.00 O ATOM 0 H TYR A 29 1.343 -1.106 -4.254 1.00 0.00 H new ATOM 0 HA TYR A 29 3.597 -0.596 -2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.387 -2.703 -2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.624 -2.984 -4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.923 -2.122 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.079 -4.739 -4.606 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.973 -3.389 -0.863 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.126 -6.004 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 29 7.905 -6.217 -2.837 1.00 0.00 H new ATOM 457 N LYS A 30 4.262 -1.202 -5.781 1.00 0.00 N ATOM 458 CA LYS A 30 5.303 -1.037 -6.800 1.00 0.00 C ATOM 459 C LYS A 30 5.736 0.422 -6.929 1.00 0.00 C ATOM 460 O LYS A 30 6.897 0.708 -7.222 1.00 0.00 O ATOM 461 CB LYS A 30 4.818 -1.553 -8.157 1.00 0.00 C ATOM 462 CG LYS A 30 3.466 -0.999 -8.567 1.00 0.00 C ATOM 463 CD LYS A 30 3.189 -1.210 -10.048 1.00 0.00 C ATOM 464 CE LYS A 30 3.982 -0.237 -10.903 1.00 0.00 C ATOM 465 NZ LYS A 30 3.862 -0.547 -12.354 1.00 0.00 N ATOM 0 H LYS A 30 3.395 -1.616 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 30 6.165 -1.623 -6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.554 -1.295 -8.919 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.761 -2.641 -8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.684 -1.480 -7.980 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.426 0.066 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.444 -2.233 -10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.124 -1.083 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.630 0.778 -10.718 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.032 -0.269 -10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.418 0.140 -12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.221 -1.506 -12.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.863 -0.492 -12.639 1.00 0.00 H new ATOM 479 N LYS A 31 4.800 1.340 -6.714 1.00 0.00 N ATOM 480 CA LYS A 31 5.101 2.765 -6.818 1.00 0.00 C ATOM 481 C LYS A 31 6.164 3.161 -5.800 1.00 0.00 C ATOM 482 O LYS A 31 6.968 4.062 -6.042 1.00 0.00 O ATOM 483 CB LYS A 31 3.834 3.598 -6.604 1.00 0.00 C ATOM 484 CG LYS A 31 3.929 5.006 -7.167 1.00 0.00 C ATOM 485 CD LYS A 31 2.553 5.625 -7.352 1.00 0.00 C ATOM 486 CE LYS A 31 2.649 7.094 -7.728 1.00 0.00 C ATOM 487 NZ LYS A 31 1.385 7.597 -8.334 1.00 0.00 N ATOM 0 H LYS A 31 3.833 1.126 -6.468 1.00 0.00 H new ATOM 0 HA LYS A 31 5.484 2.961 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.990 3.087 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.624 3.656 -5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.522 5.628 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.450 4.982 -8.124 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.011 5.084 -8.128 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.979 5.521 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.885 7.681 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.470 7.236 -8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.592 8.035 -9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.725 6.805 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.955 8.303 -7.703 1.00 0.00 H new ATOM 501 N VAL A 32 6.172 2.471 -4.666 1.00 0.00 N ATOM 502 CA VAL A 32 7.148 2.739 -3.616 1.00 0.00 C ATOM 503 C VAL A 32 8.479 2.067 -3.925 1.00 0.00 C ATOM 504 O VAL A 32 9.527 2.713 -3.926 1.00 0.00 O ATOM 505 CB VAL A 32 6.652 2.255 -2.245 1.00 0.00 C ATOM 506 CG1 VAL A 32 7.596 2.717 -1.148 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.236 2.744 -1.987 1.00 0.00 C ATOM 0 H VAL A 32 5.514 1.722 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 32 7.284 3.820 -3.581 1.00 0.00 H new ATOM 0 HB VAL A 32 6.637 1.165 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.231 2.366 -0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.591 2.311 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.644 3.806 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.901 2.391 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.219 3.834 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.571 2.358 -2.760 1.00 0.00 H new ATOM 517 N SER A 33 8.429 0.768 -4.196 1.00 0.00 N ATOM 518 CA SER A 33 9.631 0.007 -4.517 1.00 0.00 C ATOM 519 C SER A 33 10.117 0.303 -5.937 1.00 0.00 C ATOM 520 O SER A 33 11.037 -0.349 -6.432 1.00 0.00 O ATOM 521 CB SER A 33 9.362 -1.491 -4.363 1.00 0.00 C ATOM 522 OG SER A 33 9.776 -1.961 -3.089 1.00 0.00 O ATOM 0 H SER A 33 7.569 0.219 -4.200 1.00 0.00 H new ATOM 0 HA SER A 33 10.413 0.310 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.298 -1.687 -4.497 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.889 -2.039 -5.144 1.00 0.00 H new ATOM 0 HG SER A 33 10.755 -1.989 -3.053 1.00 0.00 H new ATOM 528 N ALA A 34 9.504 1.288 -6.590 1.00 0.00 N ATOM 529 CA ALA A 34 9.887 1.659 -7.948 1.00 0.00 C ATOM 530 C ALA A 34 11.360 2.051 -8.021 1.00 0.00 C ATOM 531 O ALA A 34 11.951 2.077 -9.100 1.00 0.00 O ATOM 532 CB ALA A 34 9.010 2.796 -8.444 1.00 0.00 C ATOM 0 H ALA A 34 8.741 1.842 -6.200 1.00 0.00 H new ATOM 0 HA ALA A 34 9.742 0.791 -8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.303 3.066 -9.458 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.967 2.479 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.129 3.660 -7.790 1.00 0.00 H new ATOM 538 N LYS A 35 11.951 2.347 -6.868 1.00 0.00 N ATOM 539 CA LYS A 35 13.358 2.728 -6.809 1.00 0.00 C ATOM 540 C LYS A 35 14.212 1.577 -6.275 1.00 0.00 C ATOM 541 O LYS A 35 15.441 1.648 -6.283 1.00 0.00 O ATOM 542 CB LYS A 35 13.540 3.962 -5.924 1.00 0.00 C ATOM 543 CG LYS A 35 12.624 5.118 -6.290 1.00 0.00 C ATOM 544 CD LYS A 35 12.858 6.321 -5.389 1.00 0.00 C ATOM 545 CE LYS A 35 13.476 7.482 -6.152 1.00 0.00 C ATOM 546 NZ LYS A 35 14.014 8.528 -5.239 1.00 0.00 N ATOM 0 H LYS A 35 11.479 2.331 -5.964 1.00 0.00 H new ATOM 0 HA LYS A 35 13.686 2.964 -7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.361 3.683 -4.886 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.576 4.296 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.792 5.402 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.585 4.799 -6.211 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.912 6.637 -4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.513 6.037 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.278 7.110 -6.790 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.726 7.924 -6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.426 9.300 -5.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.244 8.902 -4.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.748 8.113 -4.630 1.00 0.00 H new ATOM 560 N THR A 36 13.554 0.514 -5.816 1.00 0.00 N ATOM 561 CA THR A 36 14.252 -0.650 -5.286 1.00 0.00 C ATOM 562 C THR A 36 13.264 -1.765 -4.962 1.00 0.00 C ATOM 563 O THR A 36 12.126 -1.503 -4.574 1.00 0.00 O ATOM 564 CB THR A 36 15.046 -0.275 -4.033 1.00 0.00 C ATOM 565 OG1 THR A 36 15.644 -1.423 -3.460 1.00 0.00 O ATOM 566 CG2 THR A 36 14.205 0.384 -2.962 1.00 0.00 C ATOM 0 H THR A 36 12.537 0.437 -5.802 1.00 0.00 H new ATOM 0 HA THR A 36 14.946 -1.007 -6.048 1.00 0.00 H new ATOM 0 HB THR A 36 15.797 0.439 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.511 -1.411 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.832 0.623 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.766 1.300 -3.357 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.410 -0.296 -2.654 1.00 0.00 H new ATOM 574 N SER A 37 13.704 -3.009 -5.122 1.00 0.00 N ATOM 575 CA SER A 37 12.853 -4.164 -4.846 1.00 0.00 C ATOM 576 C SER A 37 12.912 -4.546 -3.368 1.00 0.00 C ATOM 577 O SER A 37 12.906 -5.726 -3.019 1.00 0.00 O ATOM 578 CB SER A 37 13.276 -5.351 -5.716 1.00 0.00 C ATOM 579 OG SER A 37 12.315 -5.612 -6.725 1.00 0.00 O ATOM 0 H SER A 37 14.644 -3.244 -5.441 1.00 0.00 H new ATOM 0 HA SER A 37 11.825 -3.895 -5.087 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.243 -5.143 -6.175 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.403 -6.236 -5.092 1.00 0.00 H new ATOM 0 HG SER A 37 12.609 -6.373 -7.268 1.00 0.00 H new ATOM 585 N ASN A 38 12.944 -3.539 -2.507 1.00 0.00 N ATOM 586 CA ASN A 38 12.979 -3.764 -1.070 1.00 0.00 C ATOM 587 C ASN A 38 11.585 -4.095 -0.539 1.00 0.00 C ATOM 588 O ASN A 38 10.768 -3.201 -0.319 1.00 0.00 O ATOM 589 CB ASN A 38 13.551 -2.544 -0.352 1.00 0.00 C ATOM 590 CG ASN A 38 14.984 -2.754 0.088 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.923 -2.455 -0.648 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.156 -3.276 1.296 1.00 0.00 N ATOM 0 H ASN A 38 12.946 -2.556 -2.780 1.00 0.00 H new ATOM 0 HA ASN A 38 13.629 -4.617 -0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.500 -1.679 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.936 -2.316 0.519 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.098 -3.445 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.346 -3.508 1.871 1.00 0.00 H new ATOM 599 N GLU A 39 11.318 -5.381 -0.337 1.00 0.00 N ATOM 600 CA GLU A 39 10.020 -5.818 0.166 1.00 0.00 C ATOM 601 C GLU A 39 9.733 -5.215 1.536 1.00 0.00 C ATOM 602 O GLU A 39 8.575 -5.031 1.912 1.00 0.00 O ATOM 603 CB GLU A 39 9.965 -7.345 0.242 1.00 0.00 C ATOM 604 CG GLU A 39 9.926 -8.016 -1.121 1.00 0.00 C ATOM 605 CD GLU A 39 10.110 -9.520 -1.040 1.00 0.00 C ATOM 606 OE1 GLU A 39 9.132 -10.221 -0.704 1.00 0.00 O ATOM 607 OE2 GLU A 39 11.232 -9.996 -1.316 1.00 0.00 O ATOM 0 H GLU A 39 11.980 -6.137 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 39 9.255 -5.470 -0.528 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.835 -7.706 0.792 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.083 -7.642 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.973 -7.796 -1.602 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.707 -7.592 -1.752 1.00 0.00 H new ATOM 614 N GLU A 40 10.788 -4.901 2.278 1.00 0.00 N ATOM 615 CA GLU A 40 10.636 -4.310 3.601 1.00 0.00 C ATOM 616 C GLU A 40 10.455 -2.798 3.499 1.00 0.00 C ATOM 617 O GLU A 40 9.868 -2.169 4.380 1.00 0.00 O ATOM 618 CB GLU A 40 11.847 -4.643 4.474 1.00 0.00 C ATOM 619 CG GLU A 40 11.595 -5.785 5.445 1.00 0.00 C ATOM 620 CD GLU A 40 12.826 -6.147 6.254 1.00 0.00 C ATOM 621 OE1 GLU A 40 13.883 -6.412 5.643 1.00 0.00 O ATOM 622 OE2 GLU A 40 12.733 -6.168 7.501 1.00 0.00 O ATOM 0 H GLU A 40 11.755 -5.045 1.987 1.00 0.00 H new ATOM 0 HA GLU A 40 9.744 -4.731 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.689 -4.901 3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.136 -3.755 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.788 -5.509 6.123 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.259 -6.661 4.890 1.00 0.00 H new ATOM 629 N ALA A 41 10.961 -2.222 2.415 1.00 0.00 N ATOM 630 CA ALA A 41 10.861 -0.787 2.184 1.00 0.00 C ATOM 631 C ALA A 41 9.449 -0.378 1.799 1.00 0.00 C ATOM 632 O ALA A 41 8.728 0.248 2.578 1.00 0.00 O ATOM 633 CB ALA A 41 11.811 -0.371 1.081 1.00 0.00 C ATOM 0 H ALA A 41 11.448 -2.732 1.678 1.00 0.00 H new ATOM 0 HA ALA A 41 11.125 -0.288 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.729 0.703 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.833 -0.617 1.369 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.556 -0.900 0.163 1.00 0.00 H new ATOM 639 N ALA A 42 9.071 -0.730 0.577 1.00 0.00 N ATOM 640 CA ALA A 42 7.760 -0.402 0.052 1.00 0.00 C ATOM 641 C ALA A 42 6.662 -0.999 0.913 1.00 0.00 C ATOM 642 O ALA A 42 5.587 -0.415 1.049 1.00 0.00 O ATOM 643 CB ALA A 42 7.642 -0.864 -1.392 1.00 0.00 C ATOM 0 H ALA A 42 9.664 -1.248 -0.072 1.00 0.00 H new ATOM 0 HA ALA A 42 7.639 0.681 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.653 -0.612 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.402 -0.368 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.786 -1.943 -1.442 1.00 0.00 H new ATOM 649 N GLY A 43 6.941 -2.143 1.527 1.00 0.00 N ATOM 650 CA GLY A 43 5.960 -2.759 2.394 1.00 0.00 C ATOM 651 C GLY A 43 5.702 -1.898 3.611 1.00 0.00 C ATOM 652 O GLY A 43 4.628 -1.954 4.212 1.00 0.00 O ATOM 0 H GLY A 43 7.822 -2.650 1.440 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.030 -2.912 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.311 -3.742 2.707 1.00 0.00 H new ATOM 656 N LYS A 44 6.695 -1.086 3.964 1.00 0.00 N ATOM 657 CA LYS A 44 6.584 -0.190 5.105 1.00 0.00 C ATOM 658 C LYS A 44 5.646 0.963 4.779 1.00 0.00 C ATOM 659 O LYS A 44 4.649 1.186 5.467 1.00 0.00 O ATOM 660 CB LYS A 44 7.961 0.350 5.488 1.00 0.00 C ATOM 661 CG LYS A 44 8.062 0.781 6.939 1.00 0.00 C ATOM 662 CD LYS A 44 8.561 -0.351 7.822 1.00 0.00 C ATOM 663 CE LYS A 44 7.538 -1.470 7.922 1.00 0.00 C ATOM 664 NZ LYS A 44 7.514 -2.081 9.278 1.00 0.00 N ATOM 0 H LYS A 44 7.587 -1.032 3.473 1.00 0.00 H new ATOM 0 HA LYS A 44 6.177 -0.748 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.710 -0.417 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.200 1.199 4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.737 1.633 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.085 1.114 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.494 -0.744 7.419 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.781 0.033 8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.549 -1.080 7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.766 -2.237 7.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.803 -2.840 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.451 -2.476 9.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.271 -1.355 9.982 1.00 0.00 H new ATOM 678 N ILE A 45 5.977 1.689 3.719 1.00 0.00 N ATOM 679 CA ILE A 45 5.172 2.820 3.281 1.00 0.00 C ATOM 680 C ILE A 45 3.774 2.360 2.888 1.00 0.00 C ATOM 681 O ILE A 45 2.785 3.031 3.179 1.00 0.00 O ATOM 682 CB ILE A 45 5.828 3.538 2.089 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.185 4.109 2.503 1.00 0.00 C ATOM 684 CG2 ILE A 45 4.920 4.635 1.545 1.00 0.00 C ATOM 685 CD1 ILE A 45 8.017 4.563 1.335 1.00 0.00 C ATOM 0 H ILE A 45 6.801 1.513 3.145 1.00 0.00 H new ATOM 0 HA ILE A 45 5.102 3.518 4.115 1.00 0.00 H new ATOM 0 HB ILE A 45 5.984 2.812 1.291 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.028 4.950 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.736 3.352 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.408 5.127 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.978 4.197 1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.724 5.367 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.967 4.957 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.204 3.719 0.671 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.484 5.342 0.790 1.00 0.00 H new ATOM 697 N THR A 46 3.700 1.202 2.237 1.00 0.00 N ATOM 698 CA THR A 46 2.416 0.648 1.821 1.00 0.00 C ATOM 699 C THR A 46 1.481 0.555 3.020 1.00 0.00 C ATOM 700 O THR A 46 0.306 0.907 2.931 1.00 0.00 O ATOM 701 CB THR A 46 2.594 -0.737 1.190 1.00 0.00 C ATOM 702 OG1 THR A 46 3.433 -0.668 0.047 1.00 0.00 O ATOM 703 CG2 THR A 46 1.284 -1.377 0.768 1.00 0.00 C ATOM 0 H THR A 46 4.509 0.633 1.988 1.00 0.00 H new ATOM 0 HA THR A 46 1.983 1.311 1.072 1.00 0.00 H new ATOM 0 HB THR A 46 3.044 -1.353 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.355 -0.879 0.305 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.482 -2.355 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.639 -1.494 1.639 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.789 -0.743 0.033 1.00 0.00 H new ATOM 711 N GLY A 47 2.020 0.095 4.147 1.00 0.00 N ATOM 712 CA GLY A 47 1.223 -0.027 5.352 1.00 0.00 C ATOM 713 C GLY A 47 0.696 1.314 5.817 1.00 0.00 C ATOM 714 O GLY A 47 -0.330 1.386 6.493 1.00 0.00 O ATOM 0 H GLY A 47 2.993 -0.194 4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.387 -0.702 5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.826 -0.474 6.142 1.00 0.00 H new ATOM 718 N MET A 48 1.390 2.381 5.435 1.00 0.00 N ATOM 719 CA MET A 48 0.975 3.730 5.797 1.00 0.00 C ATOM 720 C MET A 48 -0.112 4.204 4.844 1.00 0.00 C ATOM 721 O MET A 48 -1.125 4.762 5.268 1.00 0.00 O ATOM 722 CB MET A 48 2.166 4.685 5.762 1.00 0.00 C ATOM 723 CG MET A 48 3.384 4.167 6.510 1.00 0.00 C ATOM 724 SD MET A 48 4.027 5.352 7.707 1.00 0.00 S ATOM 725 CE MET A 48 5.705 4.755 7.905 1.00 0.00 C ATOM 0 H MET A 48 2.242 2.337 4.875 1.00 0.00 H new ATOM 0 HA MET A 48 0.579 3.717 6.812 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.440 4.872 4.724 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.867 5.642 6.190 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.122 3.243 7.025 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.167 3.921 5.793 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.212 5.343 8.670 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.685 3.707 8.206 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.239 4.851 6.960 1.00 0.00 H new ATOM 735 N ILE A 49 0.093 3.952 3.552 1.00 0.00 N ATOM 736 CA ILE A 49 -0.879 4.328 2.535 1.00 0.00 C ATOM 737 C ILE A 49 -2.029 3.315 2.490 1.00 0.00 C ATOM 738 O ILE A 49 -2.880 3.364 1.603 1.00 0.00 O ATOM 739 CB ILE A 49 -0.222 4.426 1.137 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.103 5.191 1.217 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.162 5.103 0.148 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.156 4.687 0.251 1.00 0.00 C ATOM 0 H ILE A 49 0.925 3.488 3.188 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.271 5.309 2.803 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.019 3.414 0.785 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.916 6.246 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.492 5.122 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.681 5.162 -0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.082 4.524 0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.396 6.108 0.498 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.066 5.276 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.373 3.640 0.463 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.788 4.782 -0.771 1.00 0.00 H new ATOM 754 N LEU A 50 -2.054 2.409 3.471 1.00 0.00 N ATOM 755 CA LEU A 50 -3.101 1.399 3.569 1.00 0.00 C ATOM 756 C LEU A 50 -4.423 2.037 4.009 1.00 0.00 C ATOM 757 O LEU A 50 -5.425 1.349 4.193 1.00 0.00 O ATOM 758 CB LEU A 50 -2.686 0.309 4.567 1.00 0.00 C ATOM 759 CG LEU A 50 -2.781 -1.131 4.049 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.166 -1.415 3.485 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.712 -1.397 3.001 1.00 0.00 C ATOM 0 H LEU A 50 -1.354 2.358 4.211 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.243 0.949 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.658 0.498 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.310 0.399 5.456 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.612 -1.804 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.208 -2.443 3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.913 -1.274 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.370 -0.732 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.797 -2.424 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.845 -0.712 2.163 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.726 -1.245 3.440 1.00 0.00 H new ATOM 773 N ASP A 51 -4.418 3.360 4.170 1.00 0.00 N ATOM 774 CA ASP A 51 -5.611 4.084 4.580 1.00 0.00 C ATOM 775 C ASP A 51 -6.646 4.088 3.458 1.00 0.00 C ATOM 776 O ASP A 51 -7.847 4.172 3.713 1.00 0.00 O ATOM 777 CB ASP A 51 -5.245 5.518 4.968 1.00 0.00 C ATOM 778 CG ASP A 51 -5.839 5.926 6.302 1.00 0.00 C ATOM 779 OD1 ASP A 51 -5.282 5.527 7.347 1.00 0.00 O ATOM 780 OD2 ASP A 51 -6.861 6.644 6.302 1.00 0.00 O ATOM 0 H ASP A 51 -3.598 3.949 4.022 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.044 3.583 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.160 5.614 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.594 6.201 4.194 1.00 0.00 H new ATOM 785 N LEU A 52 -6.176 3.992 2.217 1.00 0.00 N ATOM 786 CA LEU A 52 -7.066 3.979 1.063 1.00 0.00 C ATOM 787 C LEU A 52 -7.526 2.552 0.754 1.00 0.00 C ATOM 788 O LEU A 52 -6.712 1.694 0.411 1.00 0.00 O ATOM 789 CB LEU A 52 -6.359 4.570 -0.162 1.00 0.00 C ATOM 790 CG LEU A 52 -5.757 5.968 0.026 1.00 0.00 C ATOM 791 CD1 LEU A 52 -6.717 6.879 0.776 1.00 0.00 C ATOM 792 CD2 LEU A 52 -4.422 5.882 0.750 1.00 0.00 C ATOM 0 H LEU A 52 -5.185 3.922 1.986 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.939 4.587 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.562 3.889 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.072 4.609 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.587 6.398 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.265 7.864 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.646 6.972 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.929 6.455 1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.010 6.884 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.568 5.426 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.730 5.275 0.166 1.00 0.00 H new ATOM 804 N PRO A 53 -8.841 2.276 0.866 1.00 0.00 N ATOM 805 CA PRO A 53 -9.390 0.943 0.592 1.00 0.00 C ATOM 806 C PRO A 53 -8.867 0.367 -0.724 1.00 0.00 C ATOM 807 O PRO A 53 -8.167 1.053 -1.465 1.00 0.00 O ATOM 808 CB PRO A 53 -10.897 1.187 0.508 1.00 0.00 C ATOM 809 CG PRO A 53 -11.145 2.411 1.322 1.00 0.00 C ATOM 810 CD PRO A 53 -9.885 3.236 1.269 1.00 0.00 C ATOM 0 HA PRO A 53 -9.108 0.219 1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.215 1.331 -0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.455 0.336 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.991 2.973 0.926 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.391 2.147 2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.973 4.052 0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.662 3.684 2.237 1.00 0.00 H new ATOM 818 N PRO A 54 -9.196 -0.903 -1.033 1.00 0.00 N ATOM 819 CA PRO A 54 -8.746 -1.562 -2.263 1.00 0.00 C ATOM 820 C PRO A 54 -9.031 -0.738 -3.517 1.00 0.00 C ATOM 821 O PRO A 54 -8.110 -0.292 -4.194 1.00 0.00 O ATOM 822 CB PRO A 54 -9.537 -2.882 -2.289 1.00 0.00 C ATOM 823 CG PRO A 54 -10.588 -2.742 -1.239 1.00 0.00 C ATOM 824 CD PRO A 54 -10.026 -1.799 -0.216 1.00 0.00 C ATOM 0 HA PRO A 54 -7.665 -1.703 -2.264 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.983 -3.052 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.887 -3.732 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.514 -2.352 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.824 -3.708 -0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.811 -1.257 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.438 -2.322 0.538 1.00 0.00 H new ATOM 832 N GLN A 55 -10.308 -0.545 -3.825 1.00 0.00 N ATOM 833 CA GLN A 55 -10.698 0.226 -5.004 1.00 0.00 C ATOM 834 C GLN A 55 -10.535 1.731 -4.777 1.00 0.00 C ATOM 835 O GLN A 55 -10.114 2.460 -5.675 1.00 0.00 O ATOM 836 CB GLN A 55 -12.142 -0.084 -5.400 1.00 0.00 C ATOM 837 CG GLN A 55 -12.413 -1.564 -5.618 1.00 0.00 C ATOM 838 CD GLN A 55 -13.713 -1.812 -6.360 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.703 -2.250 -5.773 1.00 0.00 O ATOM 840 NE2 GLN A 55 -13.716 -1.534 -7.660 1.00 0.00 N ATOM 0 H GLN A 55 -11.089 -0.909 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.032 -0.069 -5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.810 0.288 -4.623 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.383 0.459 -6.314 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.588 -2.003 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.446 -2.070 -4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.873 -1.173 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.561 -1.682 -8.211 1.00 0.00 H new ATOM 849 N GLU A 56 -10.893 2.190 -3.579 1.00 0.00 N ATOM 850 CA GLU A 56 -10.812 3.612 -3.231 1.00 0.00 C ATOM 851 C GLU A 56 -9.385 4.158 -3.319 1.00 0.00 C ATOM 852 O GLU A 56 -9.182 5.372 -3.359 1.00 0.00 O ATOM 853 CB GLU A 56 -11.357 3.836 -1.819 1.00 0.00 C ATOM 854 CG GLU A 56 -12.568 4.751 -1.770 1.00 0.00 C ATOM 855 CD GLU A 56 -13.165 4.847 -0.380 1.00 0.00 C ATOM 856 OE1 GLU A 56 -13.888 3.912 0.022 1.00 0.00 O ATOM 857 OE2 GLU A 56 -12.908 5.858 0.307 1.00 0.00 O ATOM 0 H GLU A 56 -11.244 1.596 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.416 4.153 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.623 2.872 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.568 4.259 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.281 5.747 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.325 4.384 -2.463 1.00 0.00 H new ATOM 864 N VAL A 57 -8.400 3.270 -3.356 1.00 0.00 N ATOM 865 CA VAL A 57 -7.006 3.689 -3.445 1.00 0.00 C ATOM 866 C VAL A 57 -6.575 3.830 -4.899 1.00 0.00 C ATOM 867 O VAL A 57 -5.657 4.587 -5.217 1.00 0.00 O ATOM 868 CB VAL A 57 -6.068 2.689 -2.736 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.134 1.321 -3.403 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.637 3.214 -2.715 1.00 0.00 C ATOM 0 H VAL A 57 -8.538 2.260 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.931 4.656 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.404 2.579 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.465 0.632 -2.887 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.154 0.941 -3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.830 1.410 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.993 2.494 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.288 3.360 -3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.606 4.164 -2.182 1.00 0.00 H new ATOM 880 N PHE A 58 -7.240 3.082 -5.774 1.00 0.00 N ATOM 881 CA PHE A 58 -6.936 3.092 -7.202 1.00 0.00 C ATOM 882 C PHE A 58 -6.742 4.510 -7.745 1.00 0.00 C ATOM 883 O PHE A 58 -5.707 4.813 -8.339 1.00 0.00 O ATOM 884 CB PHE A 58 -8.042 2.384 -7.985 1.00 0.00 C ATOM 885 CG PHE A 58 -8.061 0.892 -7.813 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.322 0.273 -6.815 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.833 0.109 -8.652 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.353 -1.099 -6.663 1.00 0.00 C ATOM 889 CE2 PHE A 58 -8.869 -1.261 -8.504 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.128 -1.864 -7.508 1.00 0.00 C ATOM 0 H PHE A 58 -8.001 2.454 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.995 2.558 -7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.006 2.786 -7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.927 2.615 -9.044 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.716 0.871 -6.150 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.415 0.577 -9.433 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.772 -1.571 -5.885 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.476 -1.861 -9.166 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.155 -2.937 -7.390 1.00 0.00 H new ATOM 900 N PRO A 59 -7.734 5.401 -7.564 1.00 0.00 N ATOM 901 CA PRO A 59 -7.644 6.780 -8.055 1.00 0.00 C ATOM 902 C PRO A 59 -6.404 7.493 -7.535 1.00 0.00 C ATOM 903 O PRO A 59 -5.760 8.249 -8.262 1.00 0.00 O ATOM 904 CB PRO A 59 -8.906 7.446 -7.504 1.00 0.00 C ATOM 905 CG PRO A 59 -9.856 6.326 -7.265 1.00 0.00 C ATOM 906 CD PRO A 59 -9.013 5.145 -6.874 1.00 0.00 C ATOM 0 HA PRO A 59 -7.569 6.818 -9.142 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.696 7.989 -6.583 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.314 8.166 -8.213 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.565 6.577 -6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.438 6.110 -8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.882 5.083 -5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.463 4.205 -7.195 1.00 0.00 H new ATOM 914 N LEU A 60 -6.082 7.252 -6.271 1.00 0.00 N ATOM 915 CA LEU A 60 -4.924 7.872 -5.643 1.00 0.00 C ATOM 916 C LEU A 60 -3.625 7.286 -6.187 1.00 0.00 C ATOM 917 O LEU A 60 -2.717 8.023 -6.571 1.00 0.00 O ATOM 918 CB LEU A 60 -4.991 7.685 -4.122 1.00 0.00 C ATOM 919 CG LEU A 60 -3.674 7.919 -3.371 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.746 9.188 -2.541 1.00 0.00 C ATOM 921 CD2 LEU A 60 -3.339 6.720 -2.493 1.00 0.00 C ATOM 0 H LEU A 60 -6.609 6.629 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.938 8.937 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.743 8.365 -3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.334 6.672 -3.912 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.878 8.039 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.801 9.334 -2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.934 10.040 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.554 9.102 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.402 6.904 -1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.137 6.566 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.238 5.831 -3.115 1.00 0.00 H new ATOM 933 N LEU A 61 -3.529 5.960 -6.192 1.00 0.00 N ATOM 934 CA LEU A 61 -2.322 5.285 -6.661 1.00 0.00 C ATOM 935 C LEU A 61 -2.042 5.537 -8.146 1.00 0.00 C ATOM 936 O LEU A 61 -1.042 5.053 -8.675 1.00 0.00 O ATOM 937 CB LEU A 61 -2.401 3.777 -6.396 1.00 0.00 C ATOM 938 CG LEU A 61 -3.698 3.092 -6.839 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.564 2.549 -8.252 1.00 0.00 C ATOM 940 CD2 LEU A 61 -4.069 1.975 -5.874 1.00 0.00 C ATOM 0 H LEU A 61 -4.269 5.333 -5.878 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.493 5.710 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.565 3.294 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.268 3.607 -5.328 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.495 3.835 -6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.496 2.067 -8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.347 3.368 -8.938 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.753 1.822 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.993 1.500 -6.205 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.269 1.235 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.211 2.389 -4.876 1.00 0.00 H new ATOM 952 N GLU A 62 -2.907 6.295 -8.820 1.00 0.00 N ATOM 953 CA GLU A 62 -2.708 6.587 -10.237 1.00 0.00 C ATOM 954 C GLU A 62 -2.200 8.016 -10.440 1.00 0.00 C ATOM 955 O GLU A 62 -1.815 8.394 -11.548 1.00 0.00 O ATOM 956 CB GLU A 62 -4.012 6.383 -11.010 1.00 0.00 C ATOM 957 CG GLU A 62 -4.381 4.923 -11.207 1.00 0.00 C ATOM 958 CD GLU A 62 -3.537 4.245 -12.270 1.00 0.00 C ATOM 959 OE1 GLU A 62 -2.295 4.347 -12.194 1.00 0.00 O ATOM 960 OE2 GLU A 62 -4.119 3.614 -13.177 1.00 0.00 O ATOM 0 H GLU A 62 -3.743 6.713 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.954 5.898 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.821 6.885 -10.480 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.925 6.862 -11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.264 4.392 -10.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.433 4.852 -11.484 1.00 0.00 H new ATOM 967 N SER A 63 -2.200 8.809 -9.367 1.00 0.00 N ATOM 968 CA SER A 63 -1.735 10.191 -9.435 1.00 0.00 C ATOM 969 C SER A 63 -0.462 10.377 -8.611 1.00 0.00 C ATOM 970 O SER A 63 -0.431 10.071 -7.420 1.00 0.00 O ATOM 971 CB SER A 63 -2.827 11.143 -8.939 1.00 0.00 C ATOM 972 OG SER A 63 -4.028 10.975 -9.677 1.00 0.00 O ATOM 0 H SER A 63 -2.517 8.516 -8.443 1.00 0.00 H new ATOM 0 HA SER A 63 -1.508 10.423 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.018 10.962 -7.881 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.483 12.173 -9.029 1.00 0.00 H new ATOM 0 HG SER A 63 -4.709 11.593 -9.339 1.00 0.00 H new ATOM 978 N ASP A 64 0.587 10.873 -9.260 1.00 0.00 N ATOM 979 CA ASP A 64 1.869 11.093 -8.594 1.00 0.00 C ATOM 980 C ASP A 64 1.743 12.116 -7.468 1.00 0.00 C ATOM 981 O ASP A 64 2.293 11.929 -6.383 1.00 0.00 O ATOM 982 CB ASP A 64 2.915 11.570 -9.604 1.00 0.00 C ATOM 983 CG ASP A 64 2.515 12.870 -10.275 1.00 0.00 C ATOM 984 OD1 ASP A 64 1.646 12.833 -11.172 1.00 0.00 O ATOM 985 OD2 ASP A 64 3.071 13.925 -9.903 1.00 0.00 O ATOM 0 H ASP A 64 0.576 11.131 -10.247 1.00 0.00 H new ATOM 0 HA ASP A 64 2.185 10.143 -8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.871 11.704 -9.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.061 10.802 -10.363 1.00 0.00 H new ATOM 990 N GLU A 65 1.025 13.199 -7.737 1.00 0.00 N ATOM 991 CA GLU A 65 0.836 14.255 -6.750 1.00 0.00 C ATOM 992 C GLU A 65 0.215 13.711 -5.466 1.00 0.00 C ATOM 993 O GLU A 65 0.717 13.959 -4.370 1.00 0.00 O ATOM 994 CB GLU A 65 -0.039 15.366 -7.329 1.00 0.00 C ATOM 995 CG GLU A 65 0.736 16.627 -7.677 1.00 0.00 C ATOM 996 CD GLU A 65 0.008 17.502 -8.678 1.00 0.00 C ATOM 997 OE1 GLU A 65 0.079 17.203 -9.888 1.00 0.00 O ATOM 998 OE2 GLU A 65 -0.633 18.485 -8.251 1.00 0.00 O ATOM 0 H GLU A 65 0.564 13.369 -8.631 1.00 0.00 H new ATOM 0 HA GLU A 65 1.816 14.663 -6.502 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.537 14.996 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.820 15.615 -6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.920 17.198 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.709 16.350 -8.082 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.879 12.970 -5.607 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.562 12.397 -4.454 1.00 0.00 C ATOM 1007 C LEU A 66 -0.656 11.421 -3.710 1.00 0.00 C ATOM 1008 O LEU A 66 -0.778 11.248 -2.497 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.855 11.698 -4.888 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.144 12.400 -4.454 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -5.361 11.580 -4.847 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.135 12.648 -2.953 1.00 0.00 C ATOM 0 H LEU A 66 -1.310 12.753 -6.506 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.815 13.211 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.855 11.608 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.856 10.685 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.198 13.361 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.266 12.097 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.378 11.450 -5.929 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.313 10.603 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.059 13.148 -2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.056 11.696 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.284 13.278 -2.693 1.00 0.00 H new ATOM 1024 N PHE A 67 0.259 10.785 -4.439 1.00 0.00 N ATOM 1025 CA PHE A 67 1.180 9.833 -3.829 1.00 0.00 C ATOM 1026 C PHE A 67 2.198 10.552 -2.956 1.00 0.00 C ATOM 1027 O PHE A 67 2.337 10.248 -1.774 1.00 0.00 O ATOM 1028 CB PHE A 67 1.916 9.010 -4.893 1.00 0.00 C ATOM 1029 CG PHE A 67 2.232 7.614 -4.438 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.210 6.720 -4.187 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.545 7.199 -4.244 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.483 5.440 -3.757 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.820 5.916 -3.809 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.784 5.035 -3.566 1.00 0.00 C ATOM 0 H PHE A 67 0.381 10.911 -5.444 1.00 0.00 H new ATOM 0 HA PHE A 67 0.587 9.158 -3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.306 8.963 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.843 9.518 -5.161 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.185 7.028 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.357 7.885 -4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.672 4.752 -3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.843 5.603 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.995 4.031 -3.227 1.00 0.00 H new ATOM 1044 N GLU A 68 2.907 11.503 -3.551 1.00 0.00 N ATOM 1045 CA GLU A 68 3.926 12.270 -2.841 1.00 0.00 C ATOM 1046 C GLU A 68 3.450 12.705 -1.455 1.00 0.00 C ATOM 1047 O GLU A 68 4.189 12.592 -0.481 1.00 0.00 O ATOM 1048 CB GLU A 68 4.331 13.492 -3.665 1.00 0.00 C ATOM 1049 CG GLU A 68 5.366 13.184 -4.737 1.00 0.00 C ATOM 1050 CD GLU A 68 5.171 14.012 -5.992 1.00 0.00 C ATOM 1051 OE1 GLU A 68 5.482 15.222 -5.959 1.00 0.00 O ATOM 1052 OE2 GLU A 68 4.711 13.452 -7.009 1.00 0.00 O ATOM 0 H GLU A 68 2.795 11.764 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 68 4.791 11.621 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.443 13.912 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.728 14.256 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.363 13.367 -4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.314 12.126 -4.993 1.00 0.00 H new ATOM 1059 N GLN A 69 2.220 13.202 -1.375 1.00 0.00 N ATOM 1060 CA GLN A 69 1.658 13.656 -0.103 1.00 0.00 C ATOM 1061 C GLN A 69 1.599 12.513 0.909 1.00 0.00 C ATOM 1062 O GLN A 69 2.222 12.570 1.972 1.00 0.00 O ATOM 1063 CB GLN A 69 0.256 14.236 -0.313 1.00 0.00 C ATOM 1064 CG GLN A 69 0.173 15.253 -1.442 1.00 0.00 C ATOM 1065 CD GLN A 69 0.914 16.540 -1.131 1.00 0.00 C ATOM 1066 OE1 GLN A 69 1.394 16.742 -0.015 1.00 0.00 O ATOM 1067 NE2 GLN A 69 1.009 17.418 -2.123 1.00 0.00 N ATOM 0 H GLN A 69 1.592 13.302 -2.173 1.00 0.00 H new ATOM 0 HA GLN A 69 2.311 14.435 0.291 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.437 13.420 -0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.074 14.707 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.583 14.814 -2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.874 15.481 -1.643 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.596 17.208 -3.031 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.495 18.303 -1.976 1.00 0.00 H new ATOM 1076 N HIS A 70 0.838 11.479 0.576 1.00 0.00 N ATOM 1077 CA HIS A 70 0.696 10.331 1.462 1.00 0.00 C ATOM 1078 C HIS A 70 2.046 9.643 1.647 1.00 0.00 C ATOM 1079 O HIS A 70 2.481 9.399 2.772 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.340 9.349 0.907 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.685 9.467 1.560 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -1.938 9.042 2.847 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.857 9.973 1.100 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.201 9.279 3.151 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.782 9.844 2.109 1.00 0.00 N ATOM 0 H HIS A 70 0.312 11.411 -0.296 1.00 0.00 H new ATOM 0 HA HIS A 70 0.346 10.679 2.434 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.449 9.515 -0.165 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.030 8.332 1.036 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.031 10.398 0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.678 9.049 4.092 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.758 10.137 2.060 1.00 0.00 H new ATOM 1093 N TYR A 71 2.708 9.341 0.533 1.00 0.00 N ATOM 1094 CA TYR A 71 4.015 8.691 0.560 1.00 0.00 C ATOM 1095 C TYR A 71 5.072 9.598 1.200 1.00 0.00 C ATOM 1096 O TYR A 71 6.166 9.142 1.534 1.00 0.00 O ATOM 1097 CB TYR A 71 4.421 8.293 -0.869 1.00 0.00 C ATOM 1098 CG TYR A 71 5.913 8.177 -1.104 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.645 7.131 -0.564 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.584 9.115 -1.881 1.00 0.00 C ATOM 1101 CE1 TYR A 71 8.003 7.019 -0.787 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.942 9.009 -2.110 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.647 7.960 -1.560 1.00 0.00 C ATOM 1104 OH TYR A 71 10.000 7.851 -1.784 1.00 0.00 O ATOM 0 H TYR A 71 2.358 9.538 -0.405 1.00 0.00 H new ATOM 0 HA TYR A 71 3.948 7.792 1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.956 7.337 -1.109 1.00 0.00 H new ATOM 0 HB3 TYR A 71 4.016 9.029 -1.564 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.144 6.390 0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.035 9.939 -2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.558 6.198 -0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.449 9.744 -2.717 1.00 0.00 H new ATOM 0 HH TYR A 71 10.299 8.594 -2.349 1.00 0.00 H new ATOM 1114 N LYS A 72 4.743 10.879 1.383 1.00 0.00 N ATOM 1115 CA LYS A 72 5.675 11.822 1.997 1.00 0.00 C ATOM 1116 C LYS A 72 5.980 11.409 3.431 1.00 0.00 C ATOM 1117 O LYS A 72 7.119 11.088 3.767 1.00 0.00 O ATOM 1118 CB LYS A 72 5.103 13.244 1.983 1.00 0.00 C ATOM 1119 CG LYS A 72 5.980 14.252 1.255 1.00 0.00 C ATOM 1120 CD LYS A 72 5.508 15.677 1.500 1.00 0.00 C ATOM 1121 CE LYS A 72 4.264 16.001 0.688 1.00 0.00 C ATOM 1122 NZ LYS A 72 4.208 17.438 0.301 1.00 0.00 N ATOM 0 H LYS A 72 3.845 11.283 1.116 1.00 0.00 H new ATOM 0 HA LYS A 72 6.597 11.809 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.120 13.225 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.959 13.578 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.012 14.147 1.589 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.968 14.042 0.186 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.297 15.814 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.304 16.375 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.246 15.383 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.377 15.747 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.233 17.690 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.518 18.025 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.835 17.603 -0.512 1.00 0.00 H new ATOM 1136 N GLU A 73 4.953 11.419 4.274 1.00 0.00 N ATOM 1137 CA GLU A 73 5.115 11.042 5.675 1.00 0.00 C ATOM 1138 C GLU A 73 5.759 9.663 5.792 1.00 0.00 C ATOM 1139 O GLU A 73 6.669 9.459 6.597 1.00 0.00 O ATOM 1140 CB GLU A 73 3.759 11.056 6.385 1.00 0.00 C ATOM 1141 CG GLU A 73 3.699 12.009 7.569 1.00 0.00 C ATOM 1142 CD GLU A 73 3.868 11.297 8.898 1.00 0.00 C ATOM 1143 OE1 GLU A 73 3.247 10.229 9.081 1.00 0.00 O ATOM 1144 OE2 GLU A 73 4.620 11.809 9.754 1.00 0.00 O ATOM 0 H GLU A 73 4.003 11.683 4.014 1.00 0.00 H new ATOM 0 HA GLU A 73 5.772 11.768 6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.986 11.332 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.529 10.048 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.478 12.764 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.744 12.534 7.561 1.00 0.00 H new ATOM 1151 N ALA A 74 5.289 8.723 4.980 1.00 0.00 N ATOM 1152 CA ALA A 74 5.829 7.370 4.993 1.00 0.00 C ATOM 1153 C ALA A 74 7.257 7.349 4.459 1.00 0.00 C ATOM 1154 O ALA A 74 8.077 6.534 4.885 1.00 0.00 O ATOM 1155 CB ALA A 74 4.949 6.440 4.176 1.00 0.00 C ATOM 0 H ALA A 74 4.538 8.873 4.307 1.00 0.00 H new ATOM 0 HA ALA A 74 5.845 7.022 6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.366 5.433 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.944 6.425 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.904 6.794 3.146 1.00 0.00 H new ATOM 1161 N SER A 75 7.551 8.254 3.526 1.00 0.00 N ATOM 1162 CA SER A 75 8.885 8.339 2.943 1.00 0.00 C ATOM 1163 C SER A 75 9.918 8.562 4.040 1.00 0.00 C ATOM 1164 O SER A 75 10.892 7.823 4.150 1.00 0.00 O ATOM 1165 CB SER A 75 8.957 9.468 1.911 1.00 0.00 C ATOM 1166 OG SER A 75 10.286 9.654 1.454 1.00 0.00 O ATOM 0 H SER A 75 6.885 8.935 3.160 1.00 0.00 H new ATOM 0 HA SER A 75 9.101 7.399 2.435 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.307 9.236 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.588 10.393 2.353 1.00 0.00 H new ATOM 0 HG SER A 75 10.307 10.379 0.795 1.00 0.00 H new ATOM 1172 N ALA A 76 9.695 9.589 4.855 1.00 0.00 N ATOM 1173 CA ALA A 76 10.602 9.901 5.956 1.00 0.00 C ATOM 1174 C ALA A 76 10.929 8.640 6.754 1.00 0.00 C ATOM 1175 O ALA A 76 12.057 8.448 7.204 1.00 0.00 O ATOM 1176 CB ALA A 76 9.993 10.965 6.857 1.00 0.00 C ATOM 0 H ALA A 76 8.896 10.218 4.775 1.00 0.00 H new ATOM 0 HA ALA A 76 11.531 10.292 5.541 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.680 11.187 7.673 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.811 11.871 6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.051 10.600 7.265 1.00 0.00 H new ATOM 1182 N ALA A 77 9.930 7.774 6.903 1.00 0.00 N ATOM 1183 CA ALA A 77 10.103 6.515 7.622 1.00 0.00 C ATOM 1184 C ALA A 77 10.846 5.499 6.754 1.00 0.00 C ATOM 1185 O ALA A 77 11.483 4.575 7.260 1.00 0.00 O ATOM 1186 CB ALA A 77 8.754 5.963 8.045 1.00 0.00 C ATOM 0 H ALA A 77 8.990 7.922 6.535 1.00 0.00 H new ATOM 0 HA ALA A 77 10.699 6.705 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.897 5.024 8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.256 6.680 8.697 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.140 5.788 7.162 1.00 0.00 H new ATOM 1192 N TYR A 78 10.772 5.700 5.444 1.00 0.00 N ATOM 1193 CA TYR A 78 11.447 4.834 4.484 1.00 0.00 C ATOM 1194 C TYR A 78 12.919 4.698 4.859 1.00 0.00 C ATOM 1195 O TYR A 78 13.438 3.592 5.009 1.00 0.00 O ATOM 1196 CB TYR A 78 11.318 5.432 3.076 1.00 0.00 C ATOM 1197 CG TYR A 78 11.591 4.468 1.938 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.512 3.436 2.066 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.926 4.604 0.722 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.762 2.568 1.023 1.00 0.00 C ATOM 1201 CE2 TYR A 78 11.171 3.739 -0.330 1.00 0.00 C ATOM 1202 CZ TYR A 78 12.090 2.724 -0.173 1.00 0.00 C ATOM 1203 OH TYR A 78 12.343 1.865 -1.219 1.00 0.00 O ATOM 0 H TYR A 78 10.246 6.463 5.019 1.00 0.00 H new ATOM 0 HA TYR A 78 10.985 3.847 4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.310 5.831 2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 78 12.006 6.273 2.991 1.00 0.00 H new ATOM 0 HD1 TYR A 78 13.042 3.311 2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.206 5.399 0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.480 1.770 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.646 3.858 -1.266 1.00 0.00 H new ATOM 0 HH TYR A 78 11.786 2.112 -1.987 1.00 0.00 H new ATOM 1213 N GLU A 79 13.578 5.838 5.014 1.00 0.00 N ATOM 1214 CA GLU A 79 14.989 5.873 5.371 1.00 0.00 C ATOM 1215 C GLU A 79 15.225 5.319 6.770 1.00 0.00 C ATOM 1216 O GLU A 79 16.174 4.573 6.997 1.00 0.00 O ATOM 1217 CB GLU A 79 15.514 7.307 5.291 1.00 0.00 C ATOM 1218 CG GLU A 79 15.841 7.760 3.878 1.00 0.00 C ATOM 1219 CD GLU A 79 16.970 8.770 3.838 1.00 0.00 C ATOM 1220 OE1 GLU A 79 16.939 9.727 4.640 1.00 0.00 O ATOM 1221 OE2 GLU A 79 17.888 8.603 3.008 1.00 0.00 O ATOM 0 H GLU A 79 13.153 6.758 4.897 1.00 0.00 H new ATOM 0 HA GLU A 79 15.527 5.245 4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.770 7.981 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.410 7.391 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.112 6.893 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.951 8.197 3.425 1.00 0.00 H new ATOM 1228 N SER A 80 14.363 5.696 7.708 1.00 0.00 N ATOM 1229 CA SER A 80 14.497 5.246 9.085 1.00 0.00 C ATOM 1230 C SER A 80 14.486 3.726 9.170 1.00 0.00 C ATOM 1231 O SER A 80 15.388 3.121 9.745 1.00 0.00 O ATOM 1232 CB SER A 80 13.371 5.824 9.946 1.00 0.00 C ATOM 1233 OG SER A 80 13.892 6.531 11.058 1.00 0.00 O ATOM 0 H SER A 80 13.567 6.310 7.539 1.00 0.00 H new ATOM 0 HA SER A 80 15.455 5.604 9.462 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.754 6.491 9.344 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.724 5.018 10.294 1.00 0.00 H new ATOM 0 HG SER A 80 13.153 6.892 11.591 1.00 0.00 H new ATOM 1239 N PHE A 81 13.462 3.115 8.594 1.00 0.00 N ATOM 1240 CA PHE A 81 13.342 1.668 8.608 1.00 0.00 C ATOM 1241 C PHE A 81 14.460 1.029 7.793 1.00 0.00 C ATOM 1242 O PHE A 81 15.186 0.171 8.291 1.00 0.00 O ATOM 1243 CB PHE A 81 11.977 1.243 8.067 1.00 0.00 C ATOM 1244 CG PHE A 81 10.871 1.376 9.077 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.777 0.494 10.142 1.00 0.00 C ATOM 1246 CD2 PHE A 81 9.929 2.385 8.964 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.762 0.615 11.074 1.00 0.00 C ATOM 1248 CE2 PHE A 81 8.912 2.512 9.892 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.829 1.626 10.949 1.00 0.00 C ATOM 0 H PHE A 81 12.704 3.599 8.112 1.00 0.00 H new ATOM 0 HA PHE A 81 13.430 1.325 9.639 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.736 1.847 7.192 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.032 0.207 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 81 11.505 -0.297 10.245 1.00 0.00 H new ATOM 0 HD2 PHE A 81 9.990 3.081 8.141 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.699 -0.080 11.898 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.183 3.303 9.791 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.036 1.724 11.676 1.00 0.00 H new ATOM 1259 N LYS A 82 14.600 1.461 6.542 1.00 0.00 N ATOM 1260 CA LYS A 82 15.637 0.933 5.661 1.00 0.00 C ATOM 1261 C LYS A 82 17.016 1.047 6.308 1.00 0.00 C ATOM 1262 O LYS A 82 17.790 0.090 6.318 1.00 0.00 O ATOM 1263 CB LYS A 82 15.632 1.674 4.323 1.00 0.00 C ATOM 1264 CG LYS A 82 14.686 1.075 3.296 1.00 0.00 C ATOM 1265 CD LYS A 82 15.107 -0.335 2.907 1.00 0.00 C ATOM 1266 CE LYS A 82 16.374 -0.327 2.067 1.00 0.00 C ATOM 1267 NZ LYS A 82 17.602 -0.339 2.910 1.00 0.00 N ATOM 0 H LYS A 82 14.009 2.175 6.116 1.00 0.00 H new ATOM 0 HA LYS A 82 15.421 -0.121 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.356 2.714 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.643 1.676 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.674 1.055 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.663 1.707 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.270 -0.928 3.807 1.00 0.00 H new ATOM 0 HD3 LYS A 82 14.303 -0.815 2.350 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.378 -1.195 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 82 16.381 0.557 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 18.159 0.520 2.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.333 -0.368 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.173 -1.177 2.680 1.00 0.00 H new ATOM 1281 N LYS A 83 17.316 2.227 6.844 1.00 0.00 N ATOM 1282 CA LYS A 83 18.605 2.468 7.488 1.00 0.00 C ATOM 1283 C LYS A 83 18.760 1.617 8.744 1.00 0.00 C ATOM 1284 O LYS A 83 19.754 0.910 8.905 1.00 0.00 O ATOM 1285 CB LYS A 83 18.760 3.948 7.846 1.00 0.00 C ATOM 1286 CG LYS A 83 19.038 4.841 6.647 1.00 0.00 C ATOM 1287 CD LYS A 83 19.898 6.034 7.029 1.00 0.00 C ATOM 1288 CE LYS A 83 21.327 5.615 7.342 1.00 0.00 C ATOM 1289 NZ LYS A 83 21.571 5.509 8.808 1.00 0.00 N ATOM 0 H LYS A 83 16.686 3.030 6.846 1.00 0.00 H new ATOM 0 HA LYS A 83 19.385 2.188 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.851 4.290 8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.573 4.056 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.539 4.263 5.870 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.095 5.191 6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 83 19.900 6.758 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 83 19.466 6.532 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 83 21.535 4.655 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 83 22.019 6.338 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 22.303 6.192 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 20.691 5.714 9.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.890 4.546 9.038 1.00 0.00 H new ATOM 1303 N GLU A 84 17.774 1.690 9.633 1.00 0.00 N ATOM 1304 CA GLU A 84 17.810 0.927 10.878 1.00 0.00 C ATOM 1305 C GLU A 84 17.303 -0.501 10.667 1.00 0.00 C ATOM 1306 O GLU A 84 16.445 -0.984 11.406 1.00 0.00 O ATOM 1307 CB GLU A 84 16.982 1.632 11.959 1.00 0.00 C ATOM 1308 CG GLU A 84 17.806 2.110 13.144 1.00 0.00 C ATOM 1309 CD GLU A 84 17.656 3.597 13.396 1.00 0.00 C ATOM 1310 OE1 GLU A 84 17.719 4.374 12.419 1.00 0.00 O ATOM 1311 OE2 GLU A 84 17.473 3.985 14.569 1.00 0.00 O ATOM 0 H GLU A 84 16.942 2.268 9.516 1.00 0.00 H new ATOM 0 HA GLU A 84 18.847 0.871 11.208 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.472 2.486 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.210 0.950 12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.504 1.562 14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.857 1.879 12.968 1.00 0.00 H new ATOM 1318 N GLN A 85 17.848 -1.175 9.658 1.00 0.00 N ATOM 1319 CA GLN A 85 17.459 -2.547 9.352 1.00 0.00 C ATOM 1320 C GLN A 85 18.325 -3.534 10.128 1.00 0.00 C ATOM 1321 O GLN A 85 19.531 -3.628 9.900 1.00 0.00 O ATOM 1322 CB GLN A 85 17.588 -2.812 7.850 1.00 0.00 C ATOM 1323 CG GLN A 85 16.325 -2.500 7.065 1.00 0.00 C ATOM 1324 CD GLN A 85 15.352 -3.663 7.036 1.00 0.00 C ATOM 1325 OE1 GLN A 85 15.513 -4.604 6.260 1.00 0.00 O ATOM 1326 NE2 GLN A 85 14.332 -3.600 7.884 1.00 0.00 N ATOM 0 H GLN A 85 18.561 -0.792 9.038 1.00 0.00 H new ATOM 0 HA GLN A 85 16.419 -2.683 9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 85 18.409 -2.214 7.454 1.00 0.00 H new ATOM 0 HB3 GLN A 85 17.852 -3.858 7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 85 15.834 -1.632 7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 85 16.594 -2.231 6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.238 -2.800 8.510 1.00 0.00 H new ATOM 0 HE22 GLN A 85 13.643 -4.351 7.909 1.00 0.00 H new ATOM 1335 N GLU A 86 17.706 -4.266 11.047 1.00 0.00 N ATOM 1336 CA GLU A 86 18.427 -5.246 11.852 1.00 0.00 C ATOM 1337 C GLU A 86 18.650 -6.537 11.072 1.00 0.00 C ATOM 1338 O GLU A 86 19.560 -7.309 11.376 1.00 0.00 O ATOM 1339 CB GLU A 86 17.662 -5.541 13.145 1.00 0.00 C ATOM 1340 CG GLU A 86 18.135 -4.719 14.333 1.00 0.00 C ATOM 1341 CD GLU A 86 17.347 -5.008 15.593 1.00 0.00 C ATOM 1342 OE1 GLU A 86 16.154 -5.359 15.480 1.00 0.00 O ATOM 1343 OE2 GLU A 86 17.924 -4.884 16.694 1.00 0.00 O ATOM 0 H GLU A 86 16.709 -4.200 11.253 1.00 0.00 H new ATOM 0 HA GLU A 86 19.400 -4.824 12.103 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.601 -5.351 12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.763 -6.600 13.383 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.190 -4.923 14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.052 -3.659 14.092 1.00 0.00 H new ATOM 1350 N GLN A 87 17.815 -6.766 10.066 1.00 0.00 N ATOM 1351 CA GLN A 87 17.917 -7.964 9.241 1.00 0.00 C ATOM 1352 C GLN A 87 18.858 -7.742 8.060 1.00 0.00 C ATOM 1353 O GLN A 87 19.999 -8.203 8.069 1.00 0.00 O ATOM 1354 CB GLN A 87 16.535 -8.378 8.735 1.00 0.00 C ATOM 1355 CG GLN A 87 15.746 -9.210 9.731 1.00 0.00 C ATOM 1356 CD GLN A 87 14.736 -8.386 10.506 1.00 0.00 C ATOM 1357 OE1 GLN A 87 13.629 -8.132 10.032 1.00 0.00 O ATOM 1358 NE2 GLN A 87 15.116 -7.961 11.706 1.00 0.00 N ATOM 0 H GLN A 87 17.058 -6.136 9.801 1.00 0.00 H new ATOM 0 HA GLN A 87 18.327 -8.763 9.859 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.964 -7.483 8.490 1.00 0.00 H new ATOM 0 HB3 GLN A 87 16.651 -8.945 7.811 1.00 0.00 H new ATOM 0 HG2 GLN A 87 15.228 -10.010 9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 87 16.435 -9.685 10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.044 -8.195 12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 87 14.480 -7.401 12.273 1.00 0.00 H new ATOM 1367 N GLN A 88 18.370 -7.038 7.043 1.00 0.00 N ATOM 1368 CA GLN A 88 19.166 -6.760 5.853 1.00 0.00 C ATOM 1369 C GLN A 88 20.143 -5.617 6.103 1.00 0.00 C ATOM 1370 O GLN A 88 19.737 -4.499 6.424 1.00 0.00 O ATOM 1371 CB GLN A 88 18.255 -6.418 4.672 1.00 0.00 C ATOM 1372 CG GLN A 88 18.989 -6.330 3.344 1.00 0.00 C ATOM 1373 CD GLN A 88 19.430 -7.687 2.835 1.00 0.00 C ATOM 1374 OE1 GLN A 88 20.576 -8.094 3.027 1.00 0.00 O ATOM 1375 NE2 GLN A 88 18.517 -8.399 2.183 1.00 0.00 N ATOM 0 H GLN A 88 17.427 -6.650 7.020 1.00 0.00 H new ATOM 0 HA GLN A 88 19.739 -7.656 5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 88 17.473 -7.174 4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 88 17.761 -5.466 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 88 18.340 -5.861 2.604 1.00 0.00 H new ATOM 0 HG3 GLN A 88 19.861 -5.686 3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.579 -8.023 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.754 -9.322 1.819 1.00 0.00 H new ATOM 1384 N THR A 89 21.430 -5.901 5.947 1.00 0.00 N ATOM 1385 CA THR A 89 22.464 -4.902 6.145 1.00 0.00 C ATOM 1386 C THR A 89 23.078 -4.514 4.800 1.00 0.00 C ATOM 1387 O THR A 89 22.417 -4.599 3.765 1.00 0.00 O ATOM 1388 CB THR A 89 23.528 -5.443 7.107 1.00 0.00 C ATOM 1389 OG1 THR A 89 23.925 -6.751 6.735 1.00 0.00 O ATOM 1390 CG2 THR A 89 23.059 -5.498 8.545 1.00 0.00 C ATOM 0 H THR A 89 21.781 -6.822 5.682 1.00 0.00 H new ATOM 0 HA THR A 89 22.028 -4.006 6.587 1.00 0.00 H new ATOM 0 HB THR A 89 24.362 -4.744 7.038 1.00 0.00 H new ATOM 0 HG1 THR A 89 24.605 -7.077 7.361 1.00 0.00 H new ATOM 0 HG21 THR A 89 23.859 -5.890 9.174 1.00 0.00 H new ATOM 0 HG22 THR A 89 22.793 -4.495 8.879 1.00 0.00 H new ATOM 0 HG23 THR A 89 22.188 -6.149 8.619 1.00 0.00 H new ATOM 1398 N GLU A 90 24.336 -4.090 4.810 1.00 0.00 N ATOM 1399 CA GLU A 90 25.016 -3.696 3.584 1.00 0.00 C ATOM 1400 C GLU A 90 25.667 -4.904 2.915 1.00 0.00 C ATOM 1401 O GLU A 90 25.748 -5.982 3.503 1.00 0.00 O ATOM 1402 CB GLU A 90 26.071 -2.627 3.879 1.00 0.00 C ATOM 1403 CG GLU A 90 25.480 -1.296 4.320 1.00 0.00 C ATOM 1404 CD GLU A 90 26.500 -0.175 4.328 1.00 0.00 C ATOM 1405 OE1 GLU A 90 27.580 -0.358 4.929 1.00 0.00 O ATOM 1406 OE2 GLU A 90 26.220 0.887 3.733 1.00 0.00 O ATOM 0 H GLU A 90 24.905 -4.011 5.653 1.00 0.00 H new ATOM 0 HA GLU A 90 24.274 -3.280 2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 90 26.741 -2.994 4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 90 26.676 -2.469 2.986 1.00 0.00 H new ATOM 0 HG2 GLU A 90 24.659 -1.030 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 90 25.058 -1.404 5.319 1.00 0.00 H new ATOM 1413 N GLN A 91 26.127 -4.718 1.682 1.00 0.00 N ATOM 1414 CA GLN A 91 26.766 -5.795 0.936 1.00 0.00 C ATOM 1415 C GLN A 91 28.153 -6.102 1.493 1.00 0.00 C ATOM 1416 O GLN A 91 28.369 -7.151 2.099 1.00 0.00 O ATOM 1417 CB GLN A 91 26.869 -5.430 -0.547 1.00 0.00 C ATOM 1418 CG GLN A 91 26.620 -6.603 -1.481 1.00 0.00 C ATOM 1419 CD GLN A 91 27.505 -7.793 -1.166 1.00 0.00 C ATOM 1420 OE1 GLN A 91 27.100 -8.713 -0.455 1.00 0.00 O ATOM 1421 NE2 GLN A 91 28.721 -7.779 -1.695 1.00 0.00 N ATOM 0 H GLN A 91 26.069 -3.832 1.179 1.00 0.00 H new ATOM 0 HA GLN A 91 26.148 -6.687 1.042 1.00 0.00 H new ATOM 0 HB2 GLN A 91 26.151 -4.641 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 91 27.861 -5.023 -0.744 1.00 0.00 H new ATOM 0 HG2 GLN A 91 25.574 -6.903 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 91 26.793 -6.287 -2.510 1.00 0.00 H new ATOM 0 HE21 GLN A 91 29.014 -6.995 -2.278 1.00 0.00 H new ATOM 0 HE22 GLN A 91 29.363 -8.552 -1.518 1.00 0.00 H new ATOM 1430 N ALA A 92 29.091 -5.185 1.282 1.00 0.00 N ATOM 1431 CA ALA A 92 30.454 -5.369 1.762 1.00 0.00 C ATOM 1432 C ALA A 92 30.700 -4.581 3.043 1.00 0.00 C ATOM 1433 O ALA A 92 31.878 -4.442 3.434 1.00 0.00 O ATOM 1434 CB ALA A 92 31.449 -4.957 0.688 1.00 0.00 C ATOM 1435 OXT ALA A 92 29.713 -4.108 3.646 1.00 0.00 O ATOM 0 H ALA A 92 28.932 -4.310 0.783 1.00 0.00 H new ATOM 0 HA ALA A 92 30.593 -6.426 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 92 32.464 -5.099 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 92 31.299 -5.569 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 92 31.298 -3.907 0.436 1.00 0.00 H new TER 1441 ALA A 92