USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= -1.01 K(o=1,f=-3!) USER MOD Set 1.2: A 48 THR OG1 : rot 86:sc= 1.26 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.789 K(o=1,f=-2.8!) USER MOD Single : A 11 SER OG : rot -180:sc= 1.42 USER MOD Single : A 15 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.071) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot -139:sc= 1.21 USER MOD Single : A 24 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.7!) USER MOD Single : A 37 THR OG1 : rot 96:sc= 0.305 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -130:sc= 0.227 (180deg=-1.39!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -144:sc= 0 (180deg=-0.546) USER MOD Single : A 61 MET CE :methyl -168:sc= -0.0913 (180deg=-0.27) USER MOD Single : A 72 LYS NZ :NH3+ -105:sc= 0.58 (180deg=-0.207!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 30:sc= 0.736 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -162:sc= 0.384 (180deg=-0.277) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= -0.572 (180deg=-0.766) USER MOD Single : A 109 LYS NZ :NH3+ -173:sc= 0.43 (180deg=0.274) USER MOD Single : A 112 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.0601) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 8.719 2.227 7.704 1.00 2.04 N ATOM 56 CA GLU A 5 8.081 1.014 7.210 1.00 1.44 C ATOM 57 C GLU A 5 6.744 0.741 7.904 1.00 1.61 C ATOM 58 O GLU A 5 6.592 0.777 9.133 1.00 2.64 O ATOM 59 CB GLU A 5 9.017 -0.204 7.186 1.00 2.83 C ATOM 60 CG GLU A 5 10.150 -0.210 8.215 1.00 3.59 C ATOM 61 CD GLU A 5 9.642 -0.087 9.651 1.00 4.69 C ATOM 62 OE1 GLU A 5 9.112 -1.090 10.176 1.00 6.22 O ATOM 63 OE2 GLU A 5 9.758 1.021 10.225 1.00 4.79 O ATOM 0 HA GLU A 5 7.846 1.201 6.162 1.00 1.44 H new ATOM 0 HB2 GLU A 5 8.415 -1.101 7.335 1.00 2.83 H new ATOM 0 HB3 GLU A 5 9.458 -0.277 6.192 1.00 2.83 H new ATOM 0 HG2 GLU A 5 10.722 -1.132 8.114 1.00 3.59 H new ATOM 0 HG3 GLU A 5 10.832 0.613 8.003 1.00 3.59 H new ATOM 70 N GLY A 6 5.764 0.395 7.076 1.00 1.71 N ATOM 71 CA GLY A 6 4.382 0.162 7.467 1.00 1.97 C ATOM 72 C GLY A 6 3.974 -1.253 7.113 1.00 1.54 C ATOM 73 O GLY A 6 4.594 -1.921 6.281 1.00 2.13 O ATOM 0 H GLY A 6 5.919 0.265 6.076 1.00 1.71 H new ATOM 0 HA2 GLY A 6 4.266 0.325 8.539 1.00 1.97 H new ATOM 0 HA3 GLY A 6 3.728 0.874 6.964 1.00 1.97 H new ATOM 77 N TRP A 7 2.953 -1.736 7.802 1.00 1.51 N ATOM 78 CA TRP A 7 2.660 -3.143 7.920 1.00 1.09 C ATOM 79 C TRP A 7 1.686 -3.621 6.852 1.00 0.81 C ATOM 80 O TRP A 7 0.944 -2.857 6.245 1.00 0.92 O ATOM 81 CB TRP A 7 2.117 -3.395 9.328 1.00 1.36 C ATOM 82 CG TRP A 7 0.962 -2.540 9.766 1.00 1.47 C ATOM 83 CD1 TRP A 7 -0.343 -2.889 9.747 1.00 1.59 C ATOM 84 CD2 TRP A 7 0.997 -1.203 10.346 1.00 1.79 C ATOM 85 NE1 TRP A 7 -1.119 -1.860 10.244 1.00 1.80 N ATOM 86 CE2 TRP A 7 -0.341 -0.785 10.617 1.00 1.93 C ATOM 87 CE3 TRP A 7 2.035 -0.303 10.679 1.00 2.21 C ATOM 88 CZ2 TRP A 7 -0.637 0.470 11.170 1.00 2.33 C ATOM 89 CZ3 TRP A 7 1.750 0.960 11.235 1.00 2.69 C ATOM 90 CH2 TRP A 7 0.421 1.345 11.483 1.00 2.71 C ATOM 0 H TRP A 7 2.294 -1.141 8.304 1.00 1.51 H new ATOM 0 HA TRP A 7 3.573 -3.717 7.762 1.00 1.09 H new ATOM 0 HB2 TRP A 7 1.812 -4.439 9.394 1.00 1.36 H new ATOM 0 HB3 TRP A 7 2.932 -3.256 10.038 1.00 1.36 H new ATOM 0 HD1 TRP A 7 -0.724 -3.836 9.394 1.00 1.59 H new ATOM 0 HE1 TRP A 7 -2.135 -1.892 10.325 1.00 1.80 H new ATOM 0 HE3 TRP A 7 3.062 -0.588 10.505 1.00 2.21 H new ATOM 0 HZ2 TRP A 7 -1.661 0.761 11.353 1.00 2.33 H new ATOM 0 HZ3 TRP A 7 2.558 1.637 11.472 1.00 2.69 H new ATOM 0 HH2 TRP A 7 0.211 2.313 11.914 1.00 2.71 H new ATOM 101 N VAL A 8 1.644 -4.928 6.663 1.00 0.74 N ATOM 102 CA VAL A 8 0.492 -5.612 6.074 1.00 0.82 C ATOM 103 C VAL A 8 -0.556 -5.784 7.179 1.00 0.94 C ATOM 104 O VAL A 8 -0.210 -6.196 8.285 1.00 1.17 O ATOM 105 CB VAL A 8 0.924 -6.939 5.427 1.00 0.88 C ATOM 106 CG1 VAL A 8 -0.241 -7.618 4.691 1.00 1.08 C ATOM 107 CG2 VAL A 8 2.078 -6.647 4.450 1.00 0.87 C ATOM 0 H VAL A 8 2.410 -5.554 6.913 1.00 0.74 H new ATOM 0 HA VAL A 8 0.050 -5.029 5.266 1.00 0.82 H new ATOM 0 HB VAL A 8 1.250 -7.626 6.207 1.00 0.88 H new ATOM 0 HG11 VAL A 8 0.104 -8.552 4.247 1.00 1.08 H new ATOM 0 HG12 VAL A 8 -1.045 -7.827 5.397 1.00 1.08 H new ATOM 0 HG13 VAL A 8 -0.610 -6.958 3.906 1.00 1.08 H new ATOM 0 HG21 VAL A 8 2.400 -7.576 3.979 1.00 0.87 H new ATOM 0 HG22 VAL A 8 1.738 -5.951 3.683 1.00 0.87 H new ATOM 0 HG23 VAL A 8 2.914 -6.207 4.995 1.00 0.87 H new ATOM 117 N ARG A 9 -1.817 -5.438 6.883 1.00 1.00 N ATOM 118 CA ARG A 9 -2.891 -5.205 7.871 1.00 1.12 C ATOM 119 C ARG A 9 -3.233 -6.393 8.796 1.00 1.13 C ATOM 120 O ARG A 9 -3.891 -6.178 9.810 1.00 2.51 O ATOM 121 CB ARG A 9 -4.134 -4.701 7.099 1.00 1.44 C ATOM 122 CG ARG A 9 -5.247 -4.096 7.978 1.00 1.60 C ATOM 123 CD ARG A 9 -6.280 -5.109 8.503 1.00 2.55 C ATOM 124 NE ARG A 9 -7.580 -4.981 7.812 1.00 3.65 N ATOM 125 CZ ARG A 9 -8.353 -5.964 7.352 1.00 5.01 C ATOM 126 NH1 ARG A 9 -8.015 -7.237 7.440 1.00 5.69 N ATOM 127 NH2 ARG A 9 -9.505 -5.668 6.782 1.00 6.28 N ATOM 0 H ARG A 9 -2.132 -5.308 5.922 1.00 1.00 H new ATOM 0 HA ARG A 9 -2.522 -4.460 8.575 1.00 1.12 H new ATOM 0 HB2 ARG A 9 -3.814 -3.950 6.376 1.00 1.44 H new ATOM 0 HB3 ARG A 9 -4.552 -5.532 6.531 1.00 1.44 H new ATOM 0 HG2 ARG A 9 -4.786 -3.595 8.829 1.00 1.60 H new ATOM 0 HG3 ARG A 9 -5.769 -3.331 7.403 1.00 1.60 H new ATOM 0 HD2 ARG A 9 -5.896 -6.120 8.370 1.00 2.55 H new ATOM 0 HD3 ARG A 9 -6.422 -4.961 9.573 1.00 2.55 H new ATOM 0 HE ARG A 9 -7.925 -4.032 7.671 1.00 3.65 H new ATOM 0 HH11 ARG A 9 -7.131 -7.501 7.874 1.00 5.69 H new ATOM 0 HH12 ARG A 9 -8.638 -7.957 7.074 1.00 5.69 H new ATOM 0 HH21 ARG A 9 -9.797 -4.694 6.697 1.00 6.28 H new ATOM 0 HH22 ARG A 9 -10.104 -6.413 6.426 1.00 6.28 H new ATOM 141 N PHE A 10 -2.889 -7.624 8.390 1.00 1.05 N ATOM 142 CA PHE A 10 -3.221 -8.926 8.995 1.00 1.10 C ATOM 143 C PHE A 10 -4.588 -9.437 8.502 1.00 1.06 C ATOM 144 O PHE A 10 -5.526 -8.668 8.260 1.00 1.12 O ATOM 145 CB PHE A 10 -3.096 -8.961 10.538 1.00 1.42 C ATOM 146 CG PHE A 10 -3.541 -10.270 11.160 1.00 1.61 C ATOM 147 CD1 PHE A 10 -2.869 -11.469 10.851 1.00 2.67 C ATOM 148 CD2 PHE A 10 -4.693 -10.305 11.969 1.00 1.79 C ATOM 149 CE1 PHE A 10 -3.367 -12.695 11.328 1.00 2.77 C ATOM 150 CE2 PHE A 10 -5.178 -11.531 12.459 1.00 1.97 C ATOM 151 CZ PHE A 10 -4.516 -12.726 12.135 1.00 1.95 C ATOM 0 H PHE A 10 -2.319 -7.747 7.553 1.00 1.05 H new ATOM 0 HA PHE A 10 -2.457 -9.621 8.646 1.00 1.10 H new ATOM 0 HB2 PHE A 10 -2.058 -8.773 10.813 1.00 1.42 H new ATOM 0 HB3 PHE A 10 -3.689 -8.149 10.959 1.00 1.42 H new ATOM 0 HD1 PHE A 10 -1.973 -11.447 10.249 1.00 2.67 H new ATOM 0 HD2 PHE A 10 -5.206 -9.387 12.214 1.00 1.79 H new ATOM 0 HE1 PHE A 10 -2.864 -13.616 11.073 1.00 2.77 H new ATOM 0 HE2 PHE A 10 -6.059 -11.553 13.084 1.00 1.97 H new ATOM 0 HZ PHE A 10 -4.890 -13.669 12.506 1.00 1.95 H new ATOM 161 N SER A 11 -4.691 -10.758 8.326 1.00 1.17 N ATOM 162 CA SER A 11 -5.868 -11.436 7.782 1.00 1.25 C ATOM 163 C SER A 11 -5.765 -12.972 7.902 1.00 1.43 C ATOM 164 O SER A 11 -4.654 -13.511 7.830 1.00 1.83 O ATOM 165 CB SER A 11 -6.050 -11.051 6.300 1.00 1.53 C ATOM 166 OG SER A 11 -7.391 -11.225 5.896 1.00 2.15 O ATOM 0 H SER A 11 -3.936 -11.401 8.565 1.00 1.17 H new ATOM 0 HA SER A 11 -6.729 -11.114 8.367 1.00 1.25 H new ATOM 0 HB2 SER A 11 -5.753 -10.013 6.151 1.00 1.53 H new ATOM 0 HB3 SER A 11 -5.396 -11.663 5.678 1.00 1.53 H new ATOM 0 HG SER A 11 -7.483 -10.976 4.953 1.00 2.15 H new ATOM 172 N PRO A 12 -6.899 -13.692 8.021 1.00 1.31 N ATOM 173 CA PRO A 12 -6.988 -15.115 7.686 1.00 1.40 C ATOM 174 C PRO A 12 -7.167 -15.344 6.176 1.00 1.34 C ATOM 175 O PRO A 12 -6.956 -16.450 5.686 1.00 1.50 O ATOM 176 CB PRO A 12 -8.231 -15.584 8.435 1.00 1.46 C ATOM 177 CG PRO A 12 -9.167 -14.377 8.382 1.00 1.32 C ATOM 178 CD PRO A 12 -8.199 -13.196 8.472 1.00 1.23 C ATOM 0 HA PRO A 12 -6.080 -15.652 7.959 1.00 1.40 H new ATOM 0 HB2 PRO A 12 -8.678 -16.458 7.961 1.00 1.46 H new ATOM 0 HB3 PRO A 12 -7.997 -15.864 9.462 1.00 1.46 H new ATOM 0 HG2 PRO A 12 -9.748 -14.355 7.460 1.00 1.32 H new ATOM 0 HG3 PRO A 12 -9.879 -14.380 9.207 1.00 1.32 H new ATOM 0 HD2 PRO A 12 -8.537 -12.369 7.848 1.00 1.23 H new ATOM 0 HD3 PRO A 12 -8.138 -12.821 9.494 1.00 1.23 H new ATOM 186 N GLY A 13 -7.592 -14.300 5.461 1.00 1.28 N ATOM 187 CA GLY A 13 -8.015 -14.312 4.060 1.00 1.28 C ATOM 188 C GLY A 13 -9.479 -13.875 3.907 1.00 1.26 C ATOM 189 O GLY A 13 -10.059 -13.354 4.859 1.00 1.26 O ATOM 0 H GLY A 13 -7.653 -13.368 5.870 1.00 1.28 H new ATOM 0 HA2 GLY A 13 -7.374 -13.648 3.480 1.00 1.28 H new ATOM 0 HA3 GLY A 13 -7.889 -15.314 3.650 1.00 1.28 H new ATOM 193 N PRO A 14 -10.087 -14.020 2.713 1.00 1.34 N ATOM 194 CA PRO A 14 -9.450 -14.383 1.447 1.00 1.42 C ATOM 195 C PRO A 14 -8.663 -13.213 0.827 1.00 1.25 C ATOM 196 O PRO A 14 -8.050 -13.379 -0.222 1.00 1.30 O ATOM 197 CB PRO A 14 -10.617 -14.790 0.542 1.00 1.65 C ATOM 198 CG PRO A 14 -11.742 -13.858 0.996 1.00 1.57 C ATOM 199 CD PRO A 14 -11.504 -13.755 2.502 1.00 1.41 C ATOM 0 HA PRO A 14 -8.716 -15.177 1.584 1.00 1.42 H new ATOM 0 HB2 PRO A 14 -10.378 -14.651 -0.512 1.00 1.65 H new ATOM 0 HB3 PRO A 14 -10.883 -15.839 0.673 1.00 1.65 H new ATOM 0 HG2 PRO A 14 -11.683 -12.885 0.509 1.00 1.57 H new ATOM 0 HG3 PRO A 14 -12.725 -14.269 0.768 1.00 1.57 H new ATOM 0 HD2 PRO A 14 -11.773 -12.765 2.871 1.00 1.41 H new ATOM 0 HD3 PRO A 14 -12.119 -14.475 3.043 1.00 1.41 H new ATOM 207 N ASN A 15 -8.693 -12.016 1.429 1.00 1.06 N ATOM 208 CA ASN A 15 -7.986 -10.825 0.955 1.00 0.93 C ATOM 209 C ASN A 15 -7.299 -10.092 2.126 1.00 0.90 C ATOM 210 O ASN A 15 -7.440 -10.452 3.301 1.00 1.24 O ATOM 211 CB ASN A 15 -8.931 -9.859 0.204 1.00 0.97 C ATOM 212 CG ASN A 15 -9.993 -10.464 -0.707 1.00 2.53 C ATOM 213 OD1 ASN A 15 -11.135 -10.039 -0.700 1.00 2.97 O ATOM 214 ND2 ASN A 15 -9.674 -11.445 -1.523 1.00 4.39 N ATOM 0 H ASN A 15 -9.225 -11.848 2.283 1.00 1.06 H new ATOM 0 HA ASN A 15 -7.223 -11.162 0.253 1.00 0.93 H new ATOM 0 HB2 ASN A 15 -9.439 -9.243 0.947 1.00 0.97 H new ATOM 0 HB3 ASN A 15 -8.316 -9.190 -0.398 1.00 0.97 H new ATOM 0 HD21 ASN A 15 -10.380 -11.843 -2.142 1.00 4.39 H new ATOM 0 HD22 ASN A 15 -8.721 -11.808 -1.536 1.00 4.39 H new ATOM 221 N ALA A 16 -6.575 -9.029 1.788 1.00 0.57 N ATOM 222 CA ALA A 16 -5.742 -8.195 2.666 1.00 0.58 C ATOM 223 C ALA A 16 -5.529 -6.776 2.091 1.00 0.55 C ATOM 224 O ALA A 16 -6.140 -6.396 1.098 1.00 0.45 O ATOM 225 CB ALA A 16 -4.421 -8.935 2.951 1.00 0.61 C ATOM 0 H ALA A 16 -6.549 -8.699 0.823 1.00 0.57 H new ATOM 0 HA ALA A 16 -6.259 -8.038 3.613 1.00 0.58 H new ATOM 0 HB1 ALA A 16 -3.795 -8.325 3.602 1.00 0.61 H new ATOM 0 HB2 ALA A 16 -4.635 -9.885 3.440 1.00 0.61 H new ATOM 0 HB3 ALA A 16 -3.897 -9.119 2.013 1.00 0.61 H new ATOM 231 N ALA A 17 -4.694 -5.977 2.758 1.00 0.66 N ATOM 232 CA ALA A 17 -4.286 -4.608 2.415 1.00 0.58 C ATOM 233 C ALA A 17 -2.881 -4.355 3.003 1.00 0.54 C ATOM 234 O ALA A 17 -2.576 -4.941 4.047 1.00 0.71 O ATOM 235 CB ALA A 17 -5.305 -3.618 2.997 1.00 0.63 C ATOM 0 H ALA A 17 -4.249 -6.293 3.620 1.00 0.66 H new ATOM 0 HA ALA A 17 -4.252 -4.474 1.334 1.00 0.58 H new ATOM 0 HB1 ALA A 17 -5.008 -2.600 2.746 1.00 0.63 H new ATOM 0 HB2 ALA A 17 -6.290 -3.822 2.578 1.00 0.63 H new ATOM 0 HB3 ALA A 17 -5.341 -3.728 4.081 1.00 0.63 H new ATOM 241 N ALA A 18 -2.039 -3.519 2.382 1.00 0.49 N ATOM 242 CA ALA A 18 -0.649 -3.297 2.809 1.00 0.51 C ATOM 243 C ALA A 18 -0.243 -1.817 2.819 1.00 0.52 C ATOM 244 O ALA A 18 -0.514 -1.082 1.867 1.00 0.66 O ATOM 245 CB ALA A 18 0.279 -4.111 1.891 1.00 0.57 C ATOM 0 H ALA A 18 -2.304 -2.973 1.562 1.00 0.49 H new ATOM 0 HA ALA A 18 -0.558 -3.631 3.843 1.00 0.51 H new ATOM 0 HB1 ALA A 18 1.315 -3.958 2.193 1.00 0.57 H new ATOM 0 HB2 ALA A 18 0.031 -5.169 1.969 1.00 0.57 H new ATOM 0 HB3 ALA A 18 0.150 -3.783 0.860 1.00 0.57 H new ATOM 251 N TYR A 19 0.457 -1.404 3.877 1.00 0.51 N ATOM 252 CA TYR A 19 0.781 -0.005 4.200 1.00 0.53 C ATOM 253 C TYR A 19 2.260 0.375 3.949 1.00 0.65 C ATOM 254 O TYR A 19 2.915 1.034 4.753 1.00 1.43 O ATOM 255 CB TYR A 19 0.314 0.267 5.650 1.00 0.65 C ATOM 256 CG TYR A 19 -1.158 -0.037 5.879 1.00 0.79 C ATOM 257 CD1 TYR A 19 -2.127 0.549 5.043 1.00 1.62 C ATOM 258 CD2 TYR A 19 -1.570 -0.909 6.904 1.00 2.16 C ATOM 259 CE1 TYR A 19 -3.493 0.251 5.214 1.00 1.72 C ATOM 260 CE2 TYR A 19 -2.935 -1.186 7.106 1.00 2.32 C ATOM 261 CZ TYR A 19 -3.903 -0.608 6.254 1.00 1.28 C ATOM 262 OH TYR A 19 -5.232 -0.838 6.444 1.00 1.54 O ATOM 0 H TYR A 19 0.831 -2.059 4.563 1.00 0.51 H new ATOM 0 HA TYR A 19 0.244 0.649 3.513 1.00 0.53 H new ATOM 0 HB2 TYR A 19 0.912 -0.334 6.335 1.00 0.65 H new ATOM 0 HB3 TYR A 19 0.504 1.312 5.895 1.00 0.65 H new ATOM 0 HD1 TYR A 19 -1.821 1.232 4.265 1.00 1.62 H new ATOM 0 HD2 TYR A 19 -0.831 -1.370 7.542 1.00 2.16 H new ATOM 0 HE1 TYR A 19 -4.227 0.681 4.548 1.00 1.72 H new ATOM 0 HE2 TYR A 19 -3.242 -1.839 7.910 1.00 2.32 H new ATOM 0 HH TYR A 19 -5.702 -0.769 5.587 1.00 1.54 H new ATOM 272 N LEU A 20 2.821 -0.105 2.835 1.00 1.08 N ATOM 273 CA LEU A 20 4.267 -0.087 2.560 1.00 1.18 C ATOM 274 C LEU A 20 4.893 1.319 2.399 1.00 1.12 C ATOM 275 O LEU A 20 4.215 2.265 2.003 1.00 1.02 O ATOM 276 CB LEU A 20 4.536 -1.017 1.365 1.00 1.32 C ATOM 277 CG LEU A 20 4.055 -0.505 -0.004 1.00 1.21 C ATOM 278 CD1 LEU A 20 5.183 0.218 -0.743 1.00 1.69 C ATOM 279 CD2 LEU A 20 3.618 -1.685 -0.869 1.00 1.75 C ATOM 0 H LEU A 20 2.275 -0.526 2.083 1.00 1.08 H new ATOM 0 HA LEU A 20 4.781 -0.459 3.446 1.00 1.18 H new ATOM 0 HB2 LEU A 20 5.609 -1.201 1.306 1.00 1.32 H new ATOM 0 HB3 LEU A 20 4.058 -1.977 1.561 1.00 1.32 H new ATOM 0 HG LEU A 20 3.227 0.182 0.169 1.00 1.21 H new ATOM 0 HD11 LEU A 20 4.818 0.571 -1.708 1.00 1.69 H new ATOM 0 HD12 LEU A 20 5.520 1.068 -0.150 1.00 1.69 H new ATOM 0 HD13 LEU A 20 6.015 -0.469 -0.898 1.00 1.69 H new ATOM 0 HD21 LEU A 20 3.278 -1.320 -1.838 1.00 1.75 H new ATOM 0 HD22 LEU A 20 4.460 -2.363 -1.012 1.00 1.75 H new ATOM 0 HD23 LEU A 20 2.804 -2.216 -0.375 1.00 1.75 H new ATOM 291 N THR A 21 6.207 1.443 2.641 1.00 1.27 N ATOM 292 CA THR A 21 6.956 2.717 2.562 1.00 1.21 C ATOM 293 C THR A 21 7.722 2.856 1.240 1.00 1.27 C ATOM 294 O THR A 21 8.215 1.874 0.686 1.00 1.60 O ATOM 295 CB THR A 21 7.814 2.917 3.830 1.00 1.32 C ATOM 296 OG1 THR A 21 6.855 3.053 4.856 1.00 1.56 O ATOM 297 CG2 THR A 21 8.711 4.158 3.780 1.00 1.54 C ATOM 0 H THR A 21 6.793 0.650 2.902 1.00 1.27 H new ATOM 0 HA THR A 21 6.247 3.545 2.545 1.00 1.21 H new ATOM 0 HB THR A 21 8.508 2.087 3.965 1.00 1.32 H new ATOM 0 HG1 THR A 21 7.132 3.765 5.470 1.00 1.56 H new ATOM 0 HG21 THR A 21 9.283 4.231 4.705 1.00 1.54 H new ATOM 0 HG22 THR A 21 9.396 4.078 2.936 1.00 1.54 H new ATOM 0 HG23 THR A 21 8.094 5.049 3.664 1.00 1.54 H new ATOM 305 N LEU A 22 7.772 4.091 0.721 1.00 1.17 N ATOM 306 CA LEU A 22 8.428 4.521 -0.525 1.00 1.41 C ATOM 307 C LEU A 22 9.569 5.512 -0.256 1.00 1.19 C ATOM 308 O LEU A 22 9.326 6.627 0.220 1.00 1.19 O ATOM 309 CB LEU A 22 7.414 5.247 -1.455 1.00 1.86 C ATOM 310 CG LEU A 22 6.664 4.416 -2.497 1.00 2.62 C ATOM 311 CD1 LEU A 22 7.586 4.035 -3.654 1.00 3.09 C ATOM 312 CD2 LEU A 22 6.025 3.175 -1.880 1.00 3.29 C ATOM 0 H LEU A 22 7.322 4.874 1.195 1.00 1.17 H new ATOM 0 HA LEU A 22 8.818 3.617 -0.992 1.00 1.41 H new ATOM 0 HB2 LEU A 22 6.673 5.735 -0.822 1.00 1.86 H new ATOM 0 HB3 LEU A 22 7.951 6.035 -1.982 1.00 1.86 H new ATOM 0 HG LEU A 22 5.858 5.036 -2.889 1.00 2.62 H new ATOM 0 HD11 LEU A 22 7.031 3.444 -4.383 1.00 3.09 H new ATOM 0 HD12 LEU A 22 7.963 4.939 -4.132 1.00 3.09 H new ATOM 0 HD13 LEU A 22 8.423 3.449 -3.274 1.00 3.09 H new ATOM 0 HD21 LEU A 22 5.502 2.612 -2.653 1.00 3.29 H new ATOM 0 HD22 LEU A 22 6.800 2.549 -1.437 1.00 3.29 H new ATOM 0 HD23 LEU A 22 5.316 3.476 -1.109 1.00 3.29 H new ATOM 324 N GLU A 23 10.762 5.161 -0.731 1.00 1.22 N ATOM 325 CA GLU A 23 11.847 6.114 -0.983 1.00 1.27 C ATOM 326 C GLU A 23 11.947 6.390 -2.484 1.00 1.13 C ATOM 327 O GLU A 23 11.899 5.466 -3.298 1.00 1.39 O ATOM 328 CB GLU A 23 13.221 5.584 -0.533 1.00 1.94 C ATOM 329 CG GLU A 23 13.311 5.016 0.881 1.00 2.51 C ATOM 330 CD GLU A 23 12.818 6.013 1.912 1.00 2.81 C ATOM 331 OE1 GLU A 23 13.536 6.979 2.239 1.00 3.42 O ATOM 332 OE2 GLU A 23 11.699 5.812 2.420 1.00 3.72 O ATOM 0 H GLU A 23 11.008 4.197 -0.955 1.00 1.22 H new ATOM 0 HA GLU A 23 11.607 7.011 -0.413 1.00 1.27 H new ATOM 0 HB2 GLU A 23 13.530 4.807 -1.232 1.00 1.94 H new ATOM 0 HB3 GLU A 23 13.943 6.396 -0.619 1.00 1.94 H new ATOM 0 HG2 GLU A 23 12.721 4.102 0.946 1.00 2.51 H new ATOM 0 HG3 GLU A 23 14.344 4.745 1.100 1.00 2.51 H new ATOM 339 N ASN A 24 12.209 7.640 -2.858 1.00 0.96 N ATOM 340 CA ASN A 24 12.744 7.977 -4.168 1.00 0.92 C ATOM 341 C ASN A 24 14.214 8.419 -4.037 1.00 1.00 C ATOM 342 O ASN A 24 14.499 9.613 -3.972 1.00 1.16 O ATOM 343 CB ASN A 24 11.875 9.054 -4.824 1.00 0.88 C ATOM 344 CG ASN A 24 12.189 9.170 -6.308 1.00 0.97 C ATOM 345 OD1 ASN A 24 13.166 8.634 -6.826 1.00 1.53 O ATOM 346 ND2 ASN A 24 11.334 9.828 -7.058 1.00 1.17 N ATOM 0 H ASN A 24 12.054 8.449 -2.256 1.00 0.96 H new ATOM 0 HA ASN A 24 12.722 7.099 -4.813 1.00 0.92 H new ATOM 0 HB2 ASN A 24 10.821 8.810 -4.688 1.00 0.88 H new ATOM 0 HB3 ASN A 24 12.046 10.013 -4.335 1.00 0.88 H new ATOM 0 HD21 ASN A 24 11.483 9.892 -8.065 1.00 1.17 H new ATOM 0 HD22 ASN A 24 10.521 10.275 -6.633 1.00 1.17 H new ATOM 353 N PRO A 25 15.178 7.481 -4.010 1.00 1.01 N ATOM 354 CA PRO A 25 16.597 7.818 -3.910 1.00 1.13 C ATOM 355 C PRO A 25 17.171 8.411 -5.207 1.00 1.24 C ATOM 356 O PRO A 25 18.300 8.902 -5.193 1.00 1.40 O ATOM 357 CB PRO A 25 17.281 6.494 -3.550 1.00 1.23 C ATOM 358 CG PRO A 25 16.383 5.451 -4.216 1.00 1.23 C ATOM 359 CD PRO A 25 14.992 6.038 -4.019 1.00 1.07 C ATOM 0 HA PRO A 25 16.763 8.597 -3.166 1.00 1.13 H new ATOM 0 HB2 PRO A 25 18.301 6.450 -3.931 1.00 1.23 H new ATOM 0 HB3 PRO A 25 17.337 6.349 -2.471 1.00 1.23 H new ATOM 0 HG2 PRO A 25 16.624 5.323 -5.271 1.00 1.23 H new ATOM 0 HG3 PRO A 25 16.481 4.472 -3.746 1.00 1.23 H new ATOM 0 HD2 PRO A 25 14.320 5.734 -4.822 1.00 1.07 H new ATOM 0 HD3 PRO A 25 14.549 5.693 -3.085 1.00 1.07 H new ATOM 367 N GLY A 26 16.428 8.375 -6.323 1.00 1.23 N ATOM 368 CA GLY A 26 16.882 8.860 -7.618 1.00 1.36 C ATOM 369 C GLY A 26 16.631 10.347 -7.820 1.00 1.26 C ATOM 370 O GLY A 26 16.051 11.043 -6.992 1.00 1.39 O ATOM 0 H GLY A 26 15.480 8.000 -6.343 1.00 1.23 H new ATOM 0 HA2 GLY A 26 17.949 8.661 -7.720 1.00 1.36 H new ATOM 0 HA3 GLY A 26 16.376 8.302 -8.406 1.00 1.36 H new ATOM 374 N ASP A 27 17.108 10.812 -8.964 1.00 1.39 N ATOM 375 CA ASP A 27 17.215 12.203 -9.387 1.00 1.64 C ATOM 376 C ASP A 27 16.103 12.597 -10.373 1.00 1.61 C ATOM 377 O ASP A 27 15.907 13.766 -10.688 1.00 1.76 O ATOM 378 CB ASP A 27 18.604 12.314 -10.028 1.00 2.07 C ATOM 379 CG ASP A 27 19.710 12.003 -9.013 1.00 2.50 C ATOM 380 OD1 ASP A 27 19.936 10.801 -8.741 1.00 3.37 O ATOM 381 OD2 ASP A 27 20.208 12.932 -8.345 1.00 2.75 O ATOM 0 H ASP A 27 17.459 10.176 -9.680 1.00 1.39 H new ATOM 0 HA ASP A 27 17.096 12.887 -8.546 1.00 1.64 H new ATOM 0 HB2 ASP A 27 18.675 11.625 -10.870 1.00 2.07 H new ATOM 0 HB3 ASP A 27 18.744 13.319 -10.426 1.00 2.07 H new ATOM 386 N LEU A 28 15.338 11.602 -10.827 1.00 1.50 N ATOM 387 CA LEU A 28 14.162 11.731 -11.681 1.00 1.46 C ATOM 388 C LEU A 28 13.011 10.891 -11.092 1.00 1.67 C ATOM 389 O LEU A 28 13.265 9.886 -10.414 1.00 2.01 O ATOM 390 CB LEU A 28 14.532 11.284 -13.105 1.00 1.47 C ATOM 391 CG LEU A 28 15.544 12.193 -13.838 1.00 2.63 C ATOM 392 CD1 LEU A 28 15.956 11.525 -15.156 1.00 3.96 C ATOM 393 CD2 LEU A 28 14.954 13.582 -14.136 1.00 3.59 C ATOM 0 H LEU A 28 15.537 10.629 -10.593 1.00 1.50 H new ATOM 0 HA LEU A 28 13.826 12.767 -11.727 1.00 1.46 H new ATOM 0 HB2 LEU A 28 14.942 10.275 -13.057 1.00 1.47 H new ATOM 0 HB3 LEU A 28 13.620 11.229 -13.700 1.00 1.47 H new ATOM 0 HG LEU A 28 16.409 12.329 -13.188 1.00 2.63 H new ATOM 0 HD11 LEU A 28 16.670 12.161 -15.679 1.00 3.96 H new ATOM 0 HD12 LEU A 28 16.416 10.559 -14.946 1.00 3.96 H new ATOM 0 HD13 LEU A 28 15.075 11.379 -15.781 1.00 3.96 H new ATOM 0 HD21 LEU A 28 15.697 14.190 -14.652 1.00 3.59 H new ATOM 0 HD22 LEU A 28 14.072 13.475 -14.767 1.00 3.59 H new ATOM 0 HD23 LEU A 28 14.674 14.067 -13.201 1.00 3.59 H new ATOM 405 N PRO A 29 11.747 11.265 -11.343 1.00 1.58 N ATOM 406 CA PRO A 29 10.639 10.977 -10.443 1.00 1.41 C ATOM 407 C PRO A 29 10.150 9.524 -10.512 1.00 1.27 C ATOM 408 O PRO A 29 10.499 8.753 -11.413 1.00 1.48 O ATOM 409 CB PRO A 29 9.544 11.988 -10.808 1.00 1.39 C ATOM 410 CG PRO A 29 9.810 12.304 -12.278 1.00 1.48 C ATOM 411 CD PRO A 29 11.318 12.115 -12.443 1.00 1.57 C ATOM 0 HA PRO A 29 10.952 11.081 -9.404 1.00 1.41 H new ATOM 0 HB2 PRO A 29 8.549 11.568 -10.664 1.00 1.39 H new ATOM 0 HB3 PRO A 29 9.605 12.884 -10.190 1.00 1.39 H new ATOM 0 HG2 PRO A 29 9.252 11.637 -12.935 1.00 1.48 H new ATOM 0 HG3 PRO A 29 9.508 13.321 -12.526 1.00 1.48 H new ATOM 0 HD2 PRO A 29 11.549 11.654 -13.403 1.00 1.57 H new ATOM 0 HD3 PRO A 29 11.835 13.074 -12.417 1.00 1.57 H new ATOM 419 N LEU A 30 9.320 9.170 -9.527 1.00 1.05 N ATOM 420 CA LEU A 30 8.523 7.949 -9.466 1.00 0.95 C ATOM 421 C LEU A 30 7.041 8.328 -9.514 1.00 0.81 C ATOM 422 O LEU A 30 6.598 9.321 -8.939 1.00 0.82 O ATOM 423 CB LEU A 30 8.782 7.187 -8.151 1.00 0.97 C ATOM 424 CG LEU A 30 9.986 6.221 -8.065 1.00 1.27 C ATOM 425 CD1 LEU A 30 11.219 6.664 -8.849 1.00 1.93 C ATOM 426 CD2 LEU A 30 10.335 5.954 -6.596 1.00 2.37 C ATOM 0 H LEU A 30 9.181 9.762 -8.708 1.00 1.05 H new ATOM 0 HA LEU A 30 8.797 7.312 -10.307 1.00 0.95 H new ATOM 0 HB2 LEU A 30 8.898 7.928 -7.360 1.00 0.97 H new ATOM 0 HB3 LEU A 30 7.884 6.614 -7.921 1.00 0.97 H new ATOM 0 HG LEU A 30 9.667 5.298 -8.549 1.00 1.27 H new ATOM 0 HD11 LEU A 30 12.011 5.925 -8.729 1.00 1.93 H new ATOM 0 HD12 LEU A 30 10.965 6.756 -9.905 1.00 1.93 H new ATOM 0 HD13 LEU A 30 11.562 7.628 -8.473 1.00 1.93 H new ATOM 0 HD21 LEU A 30 11.184 5.273 -6.542 1.00 2.37 H new ATOM 0 HD22 LEU A 30 10.592 6.893 -6.106 1.00 2.37 H new ATOM 0 HD23 LEU A 30 9.478 5.506 -6.094 1.00 2.37 H new ATOM 438 N ARG A 31 6.294 7.413 -10.121 1.00 0.83 N ATOM 439 CA ARG A 31 4.839 7.416 -10.239 1.00 0.77 C ATOM 440 C ARG A 31 4.337 5.977 -10.152 1.00 0.89 C ATOM 441 O ARG A 31 4.484 5.208 -11.105 1.00 1.09 O ATOM 442 CB ARG A 31 4.413 8.089 -11.551 1.00 0.77 C ATOM 443 CG ARG A 31 2.889 8.274 -11.563 1.00 0.81 C ATOM 444 CD ARG A 31 2.387 9.162 -12.704 1.00 0.89 C ATOM 445 NE ARG A 31 2.672 10.588 -12.467 1.00 1.34 N ATOM 446 CZ ARG A 31 2.234 11.618 -13.179 1.00 1.82 C ATOM 447 NH1 ARG A 31 1.522 11.446 -14.278 1.00 2.39 N ATOM 448 NH2 ARG A 31 2.505 12.845 -12.796 1.00 2.52 N ATOM 0 H ARG A 31 6.713 6.599 -10.572 1.00 0.83 H new ATOM 0 HA ARG A 31 4.396 7.990 -9.425 1.00 0.77 H new ATOM 0 HB2 ARG A 31 4.908 9.055 -11.653 1.00 0.77 H new ATOM 0 HB3 ARG A 31 4.722 7.481 -12.401 1.00 0.77 H new ATOM 0 HG2 ARG A 31 2.414 7.296 -11.639 1.00 0.81 H new ATOM 0 HG3 ARG A 31 2.577 8.707 -10.613 1.00 0.81 H new ATOM 0 HD2 ARG A 31 2.855 8.850 -13.638 1.00 0.89 H new ATOM 0 HD3 ARG A 31 1.313 9.023 -12.824 1.00 0.89 H new ATOM 0 HE ARG A 31 3.270 10.807 -11.670 1.00 1.34 H new ATOM 0 HH11 ARG A 31 1.297 10.504 -14.598 1.00 2.39 H new ATOM 0 HH12 ARG A 31 1.197 12.255 -14.807 1.00 2.39 H new ATOM 0 HH21 ARG A 31 3.053 13.006 -11.951 1.00 2.52 H new ATOM 0 HH22 ARG A 31 2.168 13.637 -13.344 1.00 2.52 H new ATOM 462 N LEU A 32 3.875 5.583 -8.972 1.00 0.73 N ATOM 463 CA LEU A 32 3.568 4.214 -8.563 1.00 0.70 C ATOM 464 C LEU A 32 2.162 3.846 -9.037 1.00 0.68 C ATOM 465 O LEU A 32 1.183 4.282 -8.442 1.00 0.69 O ATOM 466 CB LEU A 32 3.739 4.182 -7.036 1.00 0.66 C ATOM 467 CG LEU A 32 3.421 2.846 -6.334 1.00 0.88 C ATOM 468 CD1 LEU A 32 4.412 1.745 -6.729 1.00 2.12 C ATOM 469 CD2 LEU A 32 3.491 3.079 -4.817 1.00 2.00 C ATOM 0 H LEU A 32 3.692 6.253 -8.225 1.00 0.73 H new ATOM 0 HA LEU A 32 4.228 3.469 -9.008 1.00 0.70 H new ATOM 0 HB2 LEU A 32 4.769 4.453 -6.803 1.00 0.66 H new ATOM 0 HB3 LEU A 32 3.101 4.954 -6.605 1.00 0.66 H new ATOM 0 HG LEU A 32 2.428 2.515 -6.638 1.00 0.88 H new ATOM 0 HD11 LEU A 32 4.153 0.820 -6.213 1.00 2.12 H new ATOM 0 HD12 LEU A 32 4.367 1.584 -7.806 1.00 2.12 H new ATOM 0 HD13 LEU A 32 5.421 2.046 -6.449 1.00 2.12 H new ATOM 0 HD21 LEU A 32 3.270 2.148 -4.295 1.00 2.00 H new ATOM 0 HD22 LEU A 32 4.491 3.418 -4.547 1.00 2.00 H new ATOM 0 HD23 LEU A 32 2.762 3.837 -4.531 1.00 2.00 H new ATOM 481 N VAL A 33 2.094 3.073 -10.119 1.00 0.71 N ATOM 482 CA VAL A 33 0.844 2.679 -10.799 1.00 0.67 C ATOM 483 C VAL A 33 0.336 1.311 -10.309 1.00 0.56 C ATOM 484 O VAL A 33 -0.855 1.031 -10.413 1.00 0.59 O ATOM 485 CB VAL A 33 1.018 2.612 -12.341 1.00 0.74 C ATOM 486 CG1 VAL A 33 1.075 4.011 -12.971 1.00 1.21 C ATOM 487 CG2 VAL A 33 2.266 1.826 -12.791 1.00 0.61 C ATOM 0 H VAL A 33 2.926 2.688 -10.566 1.00 0.71 H new ATOM 0 HA VAL A 33 0.115 3.450 -10.551 1.00 0.67 H new ATOM 0 HB VAL A 33 0.135 2.077 -12.690 1.00 0.74 H new ATOM 0 HG11 VAL A 33 1.197 3.919 -14.050 1.00 1.21 H new ATOM 0 HG12 VAL A 33 0.150 4.545 -12.755 1.00 1.21 H new ATOM 0 HG13 VAL A 33 1.918 4.563 -12.556 1.00 1.21 H new ATOM 0 HG21 VAL A 33 2.321 1.822 -13.880 1.00 0.61 H new ATOM 0 HG22 VAL A 33 3.160 2.299 -12.384 1.00 0.61 H new ATOM 0 HG23 VAL A 33 2.201 0.800 -12.428 1.00 0.61 H new ATOM 497 N GLY A 34 1.226 0.443 -9.802 1.00 0.53 N ATOM 498 CA GLY A 34 0.872 -0.890 -9.302 1.00 0.52 C ATOM 499 C GLY A 34 1.896 -1.487 -8.341 1.00 0.53 C ATOM 500 O GLY A 34 2.906 -0.872 -8.006 1.00 0.53 O ATOM 0 H GLY A 34 2.222 0.652 -9.728 1.00 0.53 H new ATOM 0 HA2 GLY A 34 -0.093 -0.833 -8.798 1.00 0.52 H new ATOM 0 HA3 GLY A 34 0.750 -1.564 -10.150 1.00 0.52 H new ATOM 504 N ALA A 35 1.617 -2.721 -7.934 1.00 0.57 N ATOM 505 CA ALA A 35 2.485 -3.574 -7.128 1.00 0.54 C ATOM 506 C ALA A 35 2.343 -5.046 -7.561 1.00 0.49 C ATOM 507 O ALA A 35 1.591 -5.351 -8.488 1.00 0.53 O ATOM 508 CB ALA A 35 2.141 -3.357 -5.644 1.00 0.56 C ATOM 0 H ALA A 35 0.735 -3.177 -8.169 1.00 0.57 H new ATOM 0 HA ALA A 35 3.532 -3.310 -7.279 1.00 0.54 H new ATOM 0 HB1 ALA A 35 2.781 -3.987 -5.026 1.00 0.56 H new ATOM 0 HB2 ALA A 35 2.301 -2.311 -5.383 1.00 0.56 H new ATOM 0 HB3 ALA A 35 1.097 -3.619 -5.470 1.00 0.56 H new ATOM 514 N ARG A 36 3.048 -5.953 -6.880 1.00 0.48 N ATOM 515 CA ARG A 36 2.830 -7.397 -6.836 1.00 0.49 C ATOM 516 C ARG A 36 3.455 -7.935 -5.522 1.00 0.43 C ATOM 517 O ARG A 36 4.030 -7.171 -4.750 1.00 0.51 O ATOM 518 CB ARG A 36 3.365 -8.008 -8.154 1.00 0.87 C ATOM 519 CG ARG A 36 3.329 -9.533 -8.282 1.00 1.51 C ATOM 520 CD ARG A 36 1.891 -10.101 -8.253 1.00 2.98 C ATOM 521 NE ARG A 36 1.812 -11.553 -7.964 1.00 3.80 N ATOM 522 CZ ARG A 36 0.850 -12.396 -8.354 1.00 4.90 C ATOM 523 NH1 ARG A 36 -0.094 -12.024 -9.192 1.00 5.77 N ATOM 524 NH2 ARG A 36 0.796 -13.634 -7.902 1.00 5.87 N ATOM 0 H ARG A 36 3.843 -5.675 -6.304 1.00 0.48 H new ATOM 0 HA ARG A 36 1.780 -7.686 -6.796 1.00 0.49 H new ATOM 0 HB2 ARG A 36 2.792 -7.586 -8.979 1.00 0.87 H new ATOM 0 HB3 ARG A 36 4.397 -7.682 -8.283 1.00 0.87 H new ATOM 0 HG2 ARG A 36 3.812 -9.827 -9.214 1.00 1.51 H new ATOM 0 HG3 ARG A 36 3.906 -9.975 -7.470 1.00 1.51 H new ATOM 0 HD2 ARG A 36 1.315 -9.561 -7.501 1.00 2.98 H new ATOM 0 HD3 ARG A 36 1.418 -9.908 -9.216 1.00 2.98 H new ATOM 0 HE ARG A 36 2.571 -11.950 -7.410 1.00 3.80 H new ATOM 0 HH11 ARG A 36 -0.103 -11.073 -9.560 1.00 5.77 H new ATOM 0 HH12 ARG A 36 -0.816 -12.687 -9.473 1.00 5.77 H new ATOM 0 HH21 ARG A 36 1.498 -13.966 -7.240 1.00 5.87 H new ATOM 0 HH22 ARG A 36 0.053 -14.259 -8.214 1.00 5.87 H new ATOM 538 N THR A 37 3.283 -9.226 -5.234 1.00 0.43 N ATOM 539 CA THR A 37 3.982 -10.049 -4.229 1.00 0.75 C ATOM 540 C THR A 37 3.730 -11.508 -4.601 1.00 0.89 C ATOM 541 O THR A 37 2.694 -11.779 -5.228 1.00 0.71 O ATOM 542 CB THR A 37 3.546 -9.716 -2.794 1.00 1.01 C ATOM 543 OG1 THR A 37 4.002 -10.689 -1.889 1.00 1.41 O ATOM 544 CG2 THR A 37 2.033 -9.607 -2.597 1.00 1.02 C ATOM 0 H THR A 37 2.590 -9.777 -5.740 1.00 0.43 H new ATOM 0 HA THR A 37 5.052 -9.839 -4.240 1.00 0.75 H new ATOM 0 HB THR A 37 3.990 -8.738 -2.606 1.00 1.01 H new ATOM 0 HG1 THR A 37 4.840 -10.388 -1.479 1.00 1.41 H new ATOM 0 HG21 THR A 37 1.818 -9.370 -1.555 1.00 1.02 H new ATOM 0 HG22 THR A 37 1.639 -8.818 -3.238 1.00 1.02 H new ATOM 0 HG23 THR A 37 1.563 -10.555 -2.858 1.00 1.02 H new ATOM 552 N PRO A 38 4.615 -12.467 -4.274 1.00 1.30 N ATOM 553 CA PRO A 38 4.344 -13.864 -4.584 1.00 1.44 C ATOM 554 C PRO A 38 3.169 -14.412 -3.771 1.00 1.41 C ATOM 555 O PRO A 38 2.432 -15.257 -4.281 1.00 1.56 O ATOM 556 CB PRO A 38 5.657 -14.614 -4.352 1.00 1.74 C ATOM 557 CG PRO A 38 6.447 -13.714 -3.405 1.00 1.91 C ATOM 558 CD PRO A 38 5.941 -12.300 -3.691 1.00 1.63 C ATOM 0 HA PRO A 38 4.025 -13.992 -5.618 1.00 1.44 H new ATOM 0 HB2 PRO A 38 5.481 -15.596 -3.913 1.00 1.74 H new ATOM 0 HB3 PRO A 38 6.193 -14.775 -5.287 1.00 1.74 H new ATOM 0 HG2 PRO A 38 6.278 -13.991 -2.364 1.00 1.91 H new ATOM 0 HG3 PRO A 38 7.519 -13.794 -3.586 1.00 1.91 H new ATOM 0 HD2 PRO A 38 5.895 -11.708 -2.777 1.00 1.63 H new ATOM 0 HD3 PRO A 38 6.607 -11.777 -4.377 1.00 1.63 H new ATOM 566 N VAL A 39 2.938 -13.893 -2.558 1.00 1.47 N ATOM 567 CA VAL A 39 1.883 -14.383 -1.658 1.00 1.55 C ATOM 568 C VAL A 39 0.490 -13.749 -1.867 1.00 1.40 C ATOM 569 O VAL A 39 -0.390 -13.960 -1.031 1.00 1.55 O ATOM 570 CB VAL A 39 2.312 -14.337 -0.177 1.00 1.76 C ATOM 571 CG1 VAL A 39 3.477 -15.303 0.104 1.00 1.93 C ATOM 572 CG2 VAL A 39 2.678 -12.923 0.261 1.00 1.84 C ATOM 0 H VAL A 39 3.478 -13.119 -2.171 1.00 1.47 H new ATOM 0 HA VAL A 39 1.757 -15.427 -1.945 1.00 1.55 H new ATOM 0 HB VAL A 39 1.452 -14.660 0.410 1.00 1.76 H new ATOM 0 HG11 VAL A 39 3.753 -15.244 1.157 1.00 1.93 H new ATOM 0 HG12 VAL A 39 3.171 -16.322 -0.134 1.00 1.93 H new ATOM 0 HG13 VAL A 39 4.334 -15.028 -0.511 1.00 1.93 H new ATOM 0 HG21 VAL A 39 2.975 -12.932 1.310 1.00 1.84 H new ATOM 0 HG22 VAL A 39 3.505 -12.556 -0.347 1.00 1.84 H new ATOM 0 HG23 VAL A 39 1.816 -12.268 0.134 1.00 1.84 H new ATOM 582 N ALA A 40 0.218 -13.049 -2.980 1.00 1.16 N ATOM 583 CA ALA A 40 -1.152 -12.648 -3.343 1.00 1.01 C ATOM 584 C ALA A 40 -1.414 -12.629 -4.855 1.00 0.79 C ATOM 585 O ALA A 40 -0.585 -12.184 -5.640 1.00 0.99 O ATOM 586 CB ALA A 40 -1.482 -11.293 -2.700 1.00 1.01 C ATOM 0 H ALA A 40 0.930 -12.748 -3.646 1.00 1.16 H new ATOM 0 HA ALA A 40 -1.821 -13.413 -2.950 1.00 1.01 H new ATOM 0 HB1 ALA A 40 -2.496 -10.999 -2.971 1.00 1.01 H new ATOM 0 HB2 ALA A 40 -1.405 -11.376 -1.616 1.00 1.01 H new ATOM 0 HB3 ALA A 40 -0.779 -10.540 -3.057 1.00 1.01 H new ATOM 592 N GLU A 41 -2.586 -13.116 -5.270 1.00 0.87 N ATOM 593 CA GLU A 41 -2.849 -13.453 -6.671 1.00 0.94 C ATOM 594 C GLU A 41 -3.182 -12.252 -7.573 1.00 0.92 C ATOM 595 O GLU A 41 -2.929 -12.272 -8.781 1.00 1.27 O ATOM 596 CB GLU A 41 -3.989 -14.481 -6.709 1.00 1.19 C ATOM 597 CG GLU A 41 -3.946 -15.317 -7.994 1.00 1.46 C ATOM 598 CD GLU A 41 -2.789 -16.320 -7.969 1.00 2.65 C ATOM 599 OE1 GLU A 41 -1.598 -15.921 -8.033 1.00 4.01 O ATOM 600 OE2 GLU A 41 -3.067 -17.519 -7.762 1.00 3.18 O ATOM 0 H GLU A 41 -3.376 -13.287 -4.648 1.00 0.87 H new ATOM 0 HA GLU A 41 -1.924 -13.858 -7.081 1.00 0.94 H new ATOM 0 HB2 GLU A 41 -3.917 -15.139 -5.843 1.00 1.19 H new ATOM 0 HB3 GLU A 41 -4.947 -13.966 -6.640 1.00 1.19 H new ATOM 0 HG2 GLU A 41 -4.889 -15.850 -8.115 1.00 1.46 H new ATOM 0 HG3 GLU A 41 -3.840 -14.658 -8.856 1.00 1.46 H new ATOM 607 N ARG A 42 -3.730 -11.192 -6.979 1.00 0.84 N ATOM 608 CA ARG A 42 -4.033 -9.909 -7.590 1.00 0.87 C ATOM 609 C ARG A 42 -3.840 -8.817 -6.537 1.00 0.75 C ATOM 610 O ARG A 42 -3.743 -9.082 -5.341 1.00 1.14 O ATOM 611 CB ARG A 42 -5.466 -9.915 -8.164 1.00 1.03 C ATOM 612 CG ARG A 42 -5.443 -10.178 -9.675 1.00 1.64 C ATOM 613 CD ARG A 42 -6.854 -10.145 -10.285 1.00 1.83 C ATOM 614 NE ARG A 42 -6.840 -9.964 -11.753 1.00 2.88 N ATOM 615 CZ ARG A 42 -6.401 -10.817 -12.676 1.00 4.05 C ATOM 616 NH1 ARG A 42 -5.864 -11.982 -12.373 1.00 5.00 N ATOM 617 NH2 ARG A 42 -6.507 -10.495 -13.949 1.00 5.06 N ATOM 0 H ARG A 42 -3.989 -11.214 -5.993 1.00 0.84 H new ATOM 0 HA ARG A 42 -3.361 -9.713 -8.425 1.00 0.87 H new ATOM 0 HB2 ARG A 42 -6.060 -10.681 -7.665 1.00 1.03 H new ATOM 0 HB3 ARG A 42 -5.948 -8.958 -7.964 1.00 1.03 H new ATOM 0 HG2 ARG A 42 -4.819 -9.430 -10.164 1.00 1.64 H new ATOM 0 HG3 ARG A 42 -4.987 -11.149 -9.867 1.00 1.64 H new ATOM 0 HD2 ARG A 42 -7.371 -11.073 -10.043 1.00 1.83 H new ATOM 0 HD3 ARG A 42 -7.423 -9.335 -9.829 1.00 1.83 H new ATOM 0 HE ARG A 42 -7.211 -9.079 -12.100 1.00 2.88 H new ATOM 0 HH11 ARG A 42 -5.771 -12.262 -11.397 1.00 5.00 H new ATOM 0 HH12 ARG A 42 -5.541 -12.603 -13.115 1.00 5.00 H new ATOM 0 HH21 ARG A 42 -6.921 -9.602 -14.216 1.00 5.06 H new ATOM 0 HH22 ARG A 42 -6.175 -11.139 -14.667 1.00 5.06 H new ATOM 631 N VAL A 43 -3.789 -7.581 -7.006 1.00 0.61 N ATOM 632 CA VAL A 43 -3.582 -6.386 -6.194 1.00 0.60 C ATOM 633 C VAL A 43 -4.249 -5.188 -6.874 1.00 0.77 C ATOM 634 O VAL A 43 -4.266 -5.124 -8.105 1.00 1.10 O ATOM 635 CB VAL A 43 -2.075 -6.163 -5.914 1.00 0.64 C ATOM 636 CG1 VAL A 43 -1.245 -5.893 -7.176 1.00 0.81 C ATOM 637 CG2 VAL A 43 -1.788 -5.057 -4.892 1.00 0.76 C ATOM 0 H VAL A 43 -3.894 -7.371 -7.999 1.00 0.61 H new ATOM 0 HA VAL A 43 -4.052 -6.514 -5.219 1.00 0.60 H new ATOM 0 HB VAL A 43 -1.765 -7.117 -5.488 1.00 0.64 H new ATOM 0 HG11 VAL A 43 -0.201 -5.747 -6.900 1.00 0.81 H new ATOM 0 HG12 VAL A 43 -1.326 -6.743 -7.853 1.00 0.81 H new ATOM 0 HG13 VAL A 43 -1.618 -4.997 -7.672 1.00 0.81 H new ATOM 0 HG21 VAL A 43 -0.711 -4.962 -4.751 1.00 0.76 H new ATOM 0 HG22 VAL A 43 -2.191 -4.112 -5.256 1.00 0.76 H new ATOM 0 HG23 VAL A 43 -2.258 -5.309 -3.941 1.00 0.76 H new ATOM 647 N GLU A 44 -4.809 -4.289 -6.068 1.00 0.62 N ATOM 648 CA GLU A 44 -5.331 -2.975 -6.452 1.00 0.50 C ATOM 649 C GLU A 44 -4.556 -1.883 -5.716 1.00 0.52 C ATOM 650 O GLU A 44 -4.028 -2.116 -4.627 1.00 0.80 O ATOM 651 CB GLU A 44 -6.786 -2.788 -6.004 1.00 0.69 C ATOM 652 CG GLU A 44 -7.785 -3.812 -6.525 1.00 1.36 C ATOM 653 CD GLU A 44 -9.101 -3.578 -5.790 1.00 2.12 C ATOM 654 OE1 GLU A 44 -9.844 -2.678 -6.242 1.00 2.71 O ATOM 655 OE2 GLU A 44 -9.285 -4.165 -4.701 1.00 3.28 O ATOM 0 H GLU A 44 -4.918 -4.467 -5.070 1.00 0.62 H new ATOM 0 HA GLU A 44 -5.242 -2.912 -7.537 1.00 0.50 H new ATOM 0 HB2 GLU A 44 -6.814 -2.805 -4.914 1.00 0.69 H new ATOM 0 HB3 GLU A 44 -7.116 -1.797 -6.316 1.00 0.69 H new ATOM 0 HG2 GLU A 44 -7.921 -3.703 -7.601 1.00 1.36 H new ATOM 0 HG3 GLU A 44 -7.423 -4.825 -6.351 1.00 1.36 H new ATOM 662 N LEU A 45 -4.578 -0.668 -6.261 1.00 0.53 N ATOM 663 CA LEU A 45 -4.064 0.529 -5.591 1.00 0.56 C ATOM 664 C LEU A 45 -5.222 1.418 -5.129 1.00 0.47 C ATOM 665 O LEU A 45 -5.988 1.935 -5.946 1.00 0.45 O ATOM 666 CB LEU A 45 -3.112 1.265 -6.546 1.00 0.77 C ATOM 667 CG LEU A 45 -2.596 2.604 -5.987 1.00 0.54 C ATOM 668 CD1 LEU A 45 -1.809 2.487 -4.675 1.00 0.62 C ATOM 669 CD2 LEU A 45 -1.700 3.248 -7.045 1.00 0.87 C ATOM 0 H LEU A 45 -4.957 -0.483 -7.190 1.00 0.53 H new ATOM 0 HA LEU A 45 -3.504 0.250 -4.698 1.00 0.56 H new ATOM 0 HB2 LEU A 45 -2.261 0.620 -6.767 1.00 0.77 H new ATOM 0 HB3 LEU A 45 -3.626 1.448 -7.489 1.00 0.77 H new ATOM 0 HG LEU A 45 -3.474 3.207 -5.757 1.00 0.54 H new ATOM 0 HD11 LEU A 45 -1.485 3.477 -4.356 1.00 0.62 H new ATOM 0 HD12 LEU A 45 -2.446 2.048 -3.907 1.00 0.62 H new ATOM 0 HD13 LEU A 45 -0.937 1.852 -4.829 1.00 0.62 H new ATOM 0 HD21 LEU A 45 -1.322 4.200 -6.671 1.00 0.87 H new ATOM 0 HD22 LEU A 45 -0.863 2.586 -7.265 1.00 0.87 H new ATOM 0 HD23 LEU A 45 -2.276 3.419 -7.955 1.00 0.87 H new ATOM 681 N HIS A 46 -5.333 1.617 -3.814 1.00 0.50 N ATOM 682 CA HIS A 46 -6.388 2.403 -3.177 1.00 0.48 C ATOM 683 C HIS A 46 -5.868 3.607 -2.370 1.00 0.54 C ATOM 684 O HIS A 46 -4.718 3.682 -1.919 1.00 0.68 O ATOM 685 CB HIS A 46 -7.188 1.503 -2.214 1.00 0.48 C ATOM 686 CG HIS A 46 -8.035 0.396 -2.778 1.00 0.43 C ATOM 687 ND1 HIS A 46 -8.717 -0.520 -1.995 1.00 0.45 N ATOM 688 CD2 HIS A 46 -8.276 0.086 -4.084 1.00 0.39 C ATOM 689 CE1 HIS A 46 -9.327 -1.372 -2.821 1.00 0.44 C ATOM 690 NE2 HIS A 46 -9.114 -1.010 -4.094 1.00 0.42 N ATOM 0 H HIS A 46 -4.671 1.224 -3.145 1.00 0.50 H new ATOM 0 HA HIS A 46 -7.004 2.790 -3.989 1.00 0.48 H new ATOM 0 HB2 HIS A 46 -6.478 1.052 -1.520 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -7.841 2.149 -1.627 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -7.884 0.602 -4.948 1.00 0.39 H new ATOM 0 HE1 HIS A 46 -9.907 -2.228 -2.510 1.00 0.44 H new ATOM 0 HE2 HIS A 46 -9.502 -1.463 -4.921 1.00 0.42 H new ATOM 698 N GLU A 47 -6.820 4.482 -2.064 1.00 0.50 N ATOM 699 CA GLU A 47 -6.771 5.424 -0.953 1.00 0.64 C ATOM 700 C GLU A 47 -7.951 5.224 0.006 1.00 0.51 C ATOM 701 O GLU A 47 -8.955 4.592 -0.335 1.00 0.56 O ATOM 702 CB GLU A 47 -6.654 6.849 -1.504 1.00 0.93 C ATOM 703 CG GLU A 47 -7.966 7.477 -1.975 1.00 1.04 C ATOM 704 CD GLU A 47 -7.779 8.838 -2.649 1.00 1.85 C ATOM 705 OE1 GLU A 47 -6.646 9.310 -2.880 1.00 3.59 O ATOM 706 OE2 GLU A 47 -8.834 9.411 -2.989 1.00 1.83 O ATOM 0 H GLU A 47 -7.681 4.557 -2.605 1.00 0.50 H new ATOM 0 HA GLU A 47 -5.884 5.237 -0.347 1.00 0.64 H new ATOM 0 HB2 GLU A 47 -6.222 7.485 -0.731 1.00 0.93 H new ATOM 0 HB3 GLU A 47 -5.953 6.842 -2.339 1.00 0.93 H new ATOM 0 HG2 GLU A 47 -8.455 6.798 -2.673 1.00 1.04 H new ATOM 0 HG3 GLU A 47 -8.633 7.591 -1.121 1.00 1.04 H new ATOM 713 N THR A 48 -7.798 5.775 1.211 1.00 0.70 N ATOM 714 CA THR A 48 -8.803 5.860 2.286 1.00 0.64 C ATOM 715 C THR A 48 -9.042 7.347 2.527 1.00 0.63 C ATOM 716 O THR A 48 -8.076 8.108 2.521 1.00 0.71 O ATOM 717 CB THR A 48 -8.295 5.222 3.587 1.00 0.66 C ATOM 718 OG1 THR A 48 -7.752 3.953 3.324 1.00 0.93 O ATOM 719 CG2 THR A 48 -9.386 5.029 4.637 1.00 0.70 C ATOM 0 H THR A 48 -6.914 6.203 1.486 1.00 0.70 H new ATOM 0 HA THR A 48 -9.709 5.329 1.994 1.00 0.64 H new ATOM 0 HB THR A 48 -7.551 5.915 3.978 1.00 0.66 H new ATOM 0 HG1 THR A 48 -6.812 4.047 3.062 1.00 0.93 H new ATOM 0 HG21 THR A 48 -8.956 4.574 5.529 1.00 0.70 H new ATOM 0 HG22 THR A 48 -9.818 5.996 4.895 1.00 0.70 H new ATOM 0 HG23 THR A 48 -10.165 4.379 4.238 1.00 0.70 H new ATOM 727 N PHE A 49 -10.290 7.757 2.744 1.00 0.61 N ATOM 728 CA PHE A 49 -10.683 9.161 2.880 1.00 0.65 C ATOM 729 C PHE A 49 -11.667 9.418 4.027 1.00 0.71 C ATOM 730 O PHE A 49 -12.261 8.509 4.607 1.00 0.71 O ATOM 731 CB PHE A 49 -11.235 9.683 1.537 1.00 0.64 C ATOM 732 CG PHE A 49 -12.515 9.035 1.020 1.00 0.63 C ATOM 733 CD1 PHE A 49 -13.758 9.434 1.551 1.00 1.75 C ATOM 734 CD2 PHE A 49 -12.487 8.088 -0.026 1.00 1.90 C ATOM 735 CE1 PHE A 49 -14.956 8.897 1.051 1.00 1.87 C ATOM 736 CE2 PHE A 49 -13.688 7.561 -0.536 1.00 1.84 C ATOM 737 CZ PHE A 49 -14.924 7.974 -0.006 1.00 0.77 C ATOM 0 H PHE A 49 -11.074 7.110 2.832 1.00 0.61 H new ATOM 0 HA PHE A 49 -9.784 9.718 3.144 1.00 0.65 H new ATOM 0 HB2 PHE A 49 -11.413 10.754 1.636 1.00 0.64 H new ATOM 0 HB3 PHE A 49 -10.461 9.557 0.780 1.00 0.64 H new ATOM 0 HD1 PHE A 49 -13.790 10.160 2.350 1.00 1.75 H new ATOM 0 HD2 PHE A 49 -11.541 7.767 -0.436 1.00 1.90 H new ATOM 0 HE1 PHE A 49 -15.902 9.194 1.480 1.00 1.87 H new ATOM 0 HE2 PHE A 49 -13.661 6.837 -1.337 1.00 1.84 H new ATOM 0 HZ PHE A 49 -15.845 7.582 -0.411 1.00 0.77 H new ATOM 747 N MET A 50 -11.874 10.703 4.323 1.00 0.83 N ATOM 748 CA MET A 50 -12.893 11.227 5.222 1.00 0.92 C ATOM 749 C MET A 50 -13.936 12.004 4.402 1.00 0.91 C ATOM 750 O MET A 50 -13.604 12.599 3.379 1.00 0.93 O ATOM 751 CB MET A 50 -12.202 12.106 6.276 1.00 1.12 C ATOM 752 CG MET A 50 -13.234 12.658 7.256 1.00 1.70 C ATOM 753 SD MET A 50 -12.578 13.499 8.717 1.00 2.31 S ATOM 754 CE MET A 50 -11.946 15.007 7.942 1.00 3.36 C ATOM 0 H MET A 50 -11.301 11.443 3.917 1.00 0.83 H new ATOM 0 HA MET A 50 -13.419 10.426 5.741 1.00 0.92 H new ATOM 0 HB2 MET A 50 -11.454 11.523 6.813 1.00 1.12 H new ATOM 0 HB3 MET A 50 -11.676 12.927 5.788 1.00 1.12 H new ATOM 0 HG2 MET A 50 -13.877 13.355 6.719 1.00 1.70 H new ATOM 0 HG3 MET A 50 -13.865 11.834 7.589 1.00 1.70 H new ATOM 0 HE1 MET A 50 -11.502 15.649 8.703 1.00 3.36 H new ATOM 0 HE2 MET A 50 -11.190 14.746 7.201 1.00 3.36 H new ATOM 0 HE3 MET A 50 -12.765 15.536 7.454 1.00 3.36 H new ATOM 764 N ARG A 51 -15.199 11.979 4.841 1.00 0.98 N ATOM 765 CA ARG A 51 -16.343 12.563 4.133 1.00 0.98 C ATOM 766 C ARG A 51 -17.396 13.054 5.129 1.00 1.04 C ATOM 767 O ARG A 51 -17.520 12.524 6.233 1.00 1.10 O ATOM 768 CB ARG A 51 -16.948 11.488 3.206 1.00 1.06 C ATOM 769 CG ARG A 51 -17.313 11.967 1.790 1.00 1.57 C ATOM 770 CD ARG A 51 -18.825 12.139 1.626 1.00 2.11 C ATOM 771 NE ARG A 51 -19.163 12.654 0.288 1.00 3.20 N ATOM 772 CZ ARG A 51 -20.144 13.500 -0.016 1.00 4.27 C ATOM 773 NH1 ARG A 51 -20.949 14.026 0.883 1.00 4.69 N ATOM 774 NH2 ARG A 51 -20.341 13.838 -1.272 1.00 5.44 N ATOM 0 H ARG A 51 -15.461 11.540 5.723 1.00 0.98 H new ATOM 0 HA ARG A 51 -16.011 13.418 3.544 1.00 0.98 H new ATOM 0 HB2 ARG A 51 -16.239 10.665 3.121 1.00 1.06 H new ATOM 0 HB3 ARG A 51 -17.845 11.088 3.679 1.00 1.06 H new ATOM 0 HG2 ARG A 51 -16.814 12.914 1.586 1.00 1.57 H new ATOM 0 HG3 ARG A 51 -16.946 11.249 1.056 1.00 1.57 H new ATOM 0 HD2 ARG A 51 -19.321 11.182 1.786 1.00 2.11 H new ATOM 0 HD3 ARG A 51 -19.200 12.823 2.387 1.00 2.11 H new ATOM 0 HE ARG A 51 -18.585 12.328 -0.486 1.00 3.20 H new ATOM 0 HH11 ARG A 51 -20.836 13.790 1.869 1.00 4.69 H new ATOM 0 HH12 ARG A 51 -21.685 14.670 0.594 1.00 4.69 H new ATOM 0 HH21 ARG A 51 -19.744 13.452 -2.004 1.00 5.44 H new ATOM 0 HH22 ARG A 51 -21.091 14.486 -1.514 1.00 5.44 H new ATOM 788 N GLU A 52 -18.185 14.043 4.728 1.00 1.11 N ATOM 789 CA GLU A 52 -19.303 14.574 5.472 1.00 1.34 C ATOM 790 C GLU A 52 -20.624 14.097 4.858 1.00 1.39 C ATOM 791 O GLU A 52 -20.758 14.114 3.633 1.00 1.42 O ATOM 792 CB GLU A 52 -19.194 16.091 5.324 1.00 1.67 C ATOM 793 CG GLU A 52 -20.049 16.800 6.349 1.00 1.90 C ATOM 794 CD GLU A 52 -19.349 16.783 7.696 1.00 2.19 C ATOM 795 OE1 GLU A 52 -18.442 17.608 7.923 1.00 3.49 O ATOM 796 OE2 GLU A 52 -19.676 15.857 8.463 1.00 2.18 O ATOM 0 H GLU A 52 -18.050 14.513 3.833 1.00 1.11 H new ATOM 0 HA GLU A 52 -19.286 14.251 6.513 1.00 1.34 H new ATOM 0 HB2 GLU A 52 -18.154 16.397 5.439 1.00 1.67 H new ATOM 0 HB3 GLU A 52 -19.504 16.385 4.321 1.00 1.67 H new ATOM 0 HG2 GLU A 52 -20.232 17.828 6.036 1.00 1.90 H new ATOM 0 HG3 GLU A 52 -21.021 16.312 6.427 1.00 1.90 H new ATOM 803 N VAL A 53 -21.602 13.723 5.679 1.00 1.58 N ATOM 804 CA VAL A 53 -22.990 13.464 5.258 1.00 1.82 C ATOM 805 C VAL A 53 -23.918 14.098 6.302 1.00 2.11 C ATOM 806 O VAL A 53 -23.879 13.701 7.457 1.00 2.47 O ATOM 807 CB VAL A 53 -23.263 11.944 5.111 1.00 1.94 C ATOM 808 CG1 VAL A 53 -24.706 11.679 4.659 1.00 2.45 C ATOM 809 CG2 VAL A 53 -22.314 11.290 4.086 1.00 2.36 C ATOM 0 H VAL A 53 -21.456 13.587 6.679 1.00 1.58 H new ATOM 0 HA VAL A 53 -23.171 13.904 4.277 1.00 1.82 H new ATOM 0 HB VAL A 53 -23.094 11.508 6.095 1.00 1.94 H new ATOM 0 HG11 VAL A 53 -24.866 10.605 4.565 1.00 2.45 H new ATOM 0 HG12 VAL A 53 -25.399 12.086 5.396 1.00 2.45 H new ATOM 0 HG13 VAL A 53 -24.879 12.157 3.695 1.00 2.45 H new ATOM 0 HG21 VAL A 53 -22.537 10.226 4.011 1.00 2.36 H new ATOM 0 HG22 VAL A 53 -22.452 11.759 3.112 1.00 2.36 H new ATOM 0 HG23 VAL A 53 -21.282 11.423 4.410 1.00 2.36 H new ATOM 819 N GLU A 54 -24.678 15.129 5.906 1.00 2.34 N ATOM 820 CA GLU A 54 -25.615 15.906 6.756 1.00 2.76 C ATOM 821 C GLU A 54 -24.927 16.743 7.865 1.00 2.81 C ATOM 822 O GLU A 54 -25.581 17.177 8.810 1.00 3.18 O ATOM 823 CB GLU A 54 -26.680 15.003 7.413 1.00 2.99 C ATOM 824 CG GLU A 54 -27.529 14.097 6.511 1.00 2.94 C ATOM 825 CD GLU A 54 -28.061 12.953 7.371 1.00 3.14 C ATOM 826 OE1 GLU A 54 -28.947 13.184 8.222 1.00 3.86 O ATOM 827 OE2 GLU A 54 -27.427 11.877 7.400 1.00 3.43 O ATOM 0 H GLU A 54 -24.662 15.465 4.943 1.00 2.34 H new ATOM 0 HA GLU A 54 -26.085 16.601 6.061 1.00 2.76 H new ATOM 0 HB2 GLU A 54 -26.173 14.367 8.139 1.00 2.99 H new ATOM 0 HB3 GLU A 54 -27.360 15.645 7.972 1.00 2.99 H new ATOM 0 HG2 GLU A 54 -28.352 14.659 6.071 1.00 2.94 H new ATOM 0 HG3 GLU A 54 -26.931 13.709 5.686 1.00 2.94 H new ATOM 834 N GLY A 55 -23.605 16.934 7.790 1.00 2.56 N ATOM 835 CA GLY A 55 -22.798 17.475 8.902 1.00 2.65 C ATOM 836 C GLY A 55 -22.360 16.408 9.915 1.00 2.31 C ATOM 837 O GLY A 55 -22.026 16.728 11.055 1.00 2.41 O ATOM 0 H GLY A 55 -23.058 16.719 6.956 1.00 2.56 H new ATOM 0 HA2 GLY A 55 -21.913 17.963 8.494 1.00 2.65 H new ATOM 0 HA3 GLY A 55 -23.375 18.242 9.420 1.00 2.65 H new ATOM 841 N LYS A 56 -22.366 15.138 9.502 1.00 1.99 N ATOM 842 CA LYS A 56 -21.853 13.988 10.250 1.00 1.81 C ATOM 843 C LYS A 56 -20.719 13.324 9.448 1.00 1.49 C ATOM 844 O LYS A 56 -20.870 12.952 8.278 1.00 1.41 O ATOM 845 CB LYS A 56 -22.980 12.981 10.558 1.00 1.91 C ATOM 846 CG LYS A 56 -24.085 13.554 11.470 1.00 2.41 C ATOM 847 CD LYS A 56 -25.334 12.660 11.510 1.00 2.14 C ATOM 848 CE LYS A 56 -26.117 12.803 10.198 1.00 2.47 C ATOM 849 NZ LYS A 56 -27.340 11.972 10.136 1.00 2.44 N ATOM 0 H LYS A 56 -22.747 14.871 8.594 1.00 1.99 H new ATOM 0 HA LYS A 56 -21.457 14.332 11.206 1.00 1.81 H new ATOM 0 HB2 LYS A 56 -23.428 12.651 9.621 1.00 1.91 H new ATOM 0 HB3 LYS A 56 -22.549 12.099 11.033 1.00 1.91 H new ATOM 0 HG2 LYS A 56 -23.693 13.672 12.480 1.00 2.41 H new ATOM 0 HG3 LYS A 56 -24.364 14.547 11.118 1.00 2.41 H new ATOM 0 HD2 LYS A 56 -25.044 11.620 11.660 1.00 2.14 H new ATOM 0 HD3 LYS A 56 -25.965 12.939 12.353 1.00 2.14 H new ATOM 0 HE2 LYS A 56 -26.393 13.849 10.063 1.00 2.47 H new ATOM 0 HE3 LYS A 56 -25.465 12.536 9.366 1.00 2.47 H new ATOM 0 HZ1 LYS A 56 -27.350 11.435 9.245 1.00 2.44 H new ATOM 0 HZ2 LYS A 56 -27.352 11.311 10.939 1.00 2.44 H new ATOM 0 HZ3 LYS A 56 -28.179 12.585 10.180 1.00 2.44 H new ATOM 863 N LYS A 57 -19.570 13.172 10.098 1.00 1.44 N ATOM 864 CA LYS A 57 -18.310 12.753 9.480 1.00 1.29 C ATOM 865 C LYS A 57 -18.181 11.226 9.462 1.00 1.18 C ATOM 866 O LYS A 57 -18.234 10.584 10.504 1.00 1.36 O ATOM 867 CB LYS A 57 -17.119 13.443 10.179 1.00 1.52 C ATOM 868 CG LYS A 57 -17.234 14.955 9.950 1.00 2.29 C ATOM 869 CD LYS A 57 -16.175 15.860 10.571 1.00 3.06 C ATOM 870 CE LYS A 57 -16.625 17.267 10.146 1.00 3.78 C ATOM 871 NZ LYS A 57 -15.868 18.371 10.771 1.00 4.86 N ATOM 0 H LYS A 57 -19.484 13.341 11.100 1.00 1.44 H new ATOM 0 HA LYS A 57 -18.304 13.071 8.437 1.00 1.29 H new ATOM 0 HB2 LYS A 57 -17.124 13.219 11.246 1.00 1.52 H new ATOM 0 HB3 LYS A 57 -16.176 13.069 9.779 1.00 1.52 H new ATOM 0 HG2 LYS A 57 -17.232 15.130 8.874 1.00 2.29 H new ATOM 0 HG3 LYS A 57 -18.207 15.275 10.324 1.00 2.29 H new ATOM 0 HD2 LYS A 57 -16.143 15.758 11.656 1.00 3.06 H new ATOM 0 HD3 LYS A 57 -15.177 15.627 10.199 1.00 3.06 H new ATOM 0 HE2 LYS A 57 -16.536 17.351 9.063 1.00 3.78 H new ATOM 0 HE3 LYS A 57 -17.681 17.385 10.389 1.00 3.78 H new ATOM 0 HZ1 LYS A 57 -16.236 19.282 10.429 1.00 4.86 H new ATOM 0 HZ2 LYS A 57 -15.972 18.321 11.805 1.00 4.86 H new ATOM 0 HZ3 LYS A 57 -14.862 18.288 10.520 1.00 4.86 H new ATOM 885 N VAL A 58 -18.000 10.671 8.269 1.00 0.98 N ATOM 886 CA VAL A 58 -17.919 9.228 7.984 1.00 0.98 C ATOM 887 C VAL A 58 -16.861 8.976 6.909 1.00 0.87 C ATOM 888 O VAL A 58 -16.709 9.768 5.980 1.00 1.03 O ATOM 889 CB VAL A 58 -19.292 8.660 7.534 1.00 1.06 C ATOM 890 CG1 VAL A 58 -19.242 7.141 7.285 1.00 1.90 C ATOM 891 CG2 VAL A 58 -20.412 8.939 8.556 1.00 2.31 C ATOM 0 H VAL A 58 -17.900 11.237 7.426 1.00 0.98 H new ATOM 0 HA VAL A 58 -17.635 8.713 8.902 1.00 0.98 H new ATOM 0 HB VAL A 58 -19.516 9.178 6.602 1.00 1.06 H new ATOM 0 HG11 VAL A 58 -20.226 6.791 6.972 1.00 1.90 H new ATOM 0 HG12 VAL A 58 -18.514 6.924 6.503 1.00 1.90 H new ATOM 0 HG13 VAL A 58 -18.950 6.631 8.203 1.00 1.90 H new ATOM 0 HG21 VAL A 58 -21.350 8.520 8.191 1.00 2.31 H new ATOM 0 HG22 VAL A 58 -20.156 8.479 9.511 1.00 2.31 H new ATOM 0 HG23 VAL A 58 -20.523 10.015 8.690 1.00 2.31 H new ATOM 901 N MET A 59 -16.100 7.892 7.063 1.00 0.83 N ATOM 902 CA MET A 59 -14.944 7.570 6.227 1.00 0.74 C ATOM 903 C MET A 59 -15.292 6.653 5.049 1.00 0.72 C ATOM 904 O MET A 59 -16.394 6.116 4.952 1.00 0.80 O ATOM 905 CB MET A 59 -13.825 6.980 7.099 1.00 0.82 C ATOM 906 CG MET A 59 -13.263 8.010 8.094 1.00 0.92 C ATOM 907 SD MET A 59 -14.285 8.405 9.540 1.00 2.52 S ATOM 908 CE MET A 59 -13.478 9.933 10.083 1.00 3.17 C ATOM 0 H MET A 59 -16.275 7.198 7.789 1.00 0.83 H new ATOM 0 HA MET A 59 -14.592 8.498 5.776 1.00 0.74 H new ATOM 0 HB2 MET A 59 -14.209 6.119 7.647 1.00 0.82 H new ATOM 0 HB3 MET A 59 -13.020 6.618 6.459 1.00 0.82 H new ATOM 0 HG2 MET A 59 -12.299 7.645 8.450 1.00 0.92 H new ATOM 0 HG3 MET A 59 -13.073 8.936 7.551 1.00 0.92 H new ATOM 0 HE1 MET A 59 -13.483 9.980 11.172 1.00 3.17 H new ATOM 0 HE2 MET A 59 -12.449 9.948 9.724 1.00 3.17 H new ATOM 0 HE3 MET A 59 -14.015 10.791 9.680 1.00 3.17 H new ATOM 918 N GLY A 60 -14.342 6.520 4.124 1.00 0.68 N ATOM 919 CA GLY A 60 -14.483 5.764 2.884 1.00 0.68 C ATOM 920 C GLY A 60 -13.154 5.309 2.291 1.00 0.60 C ATOM 921 O GLY A 60 -12.094 5.542 2.860 1.00 0.64 O ATOM 0 H GLY A 60 -13.423 6.951 4.222 1.00 0.68 H new ATOM 0 HA2 GLY A 60 -15.106 4.889 3.071 1.00 0.68 H new ATOM 0 HA3 GLY A 60 -15.007 6.378 2.151 1.00 0.68 H new ATOM 925 N MET A 61 -13.214 4.636 1.144 1.00 0.57 N ATOM 926 CA MET A 61 -12.078 4.060 0.426 1.00 0.51 C ATOM 927 C MET A 61 -12.417 3.998 -1.067 1.00 0.50 C ATOM 928 O MET A 61 -13.588 3.855 -1.422 1.00 0.58 O ATOM 929 CB MET A 61 -11.821 2.669 1.028 1.00 0.57 C ATOM 930 CG MET A 61 -10.760 1.835 0.302 1.00 0.61 C ATOM 931 SD MET A 61 -10.636 0.086 0.801 1.00 0.57 S ATOM 932 CE MET A 61 -10.961 0.193 2.578 1.00 1.15 C ATOM 0 H MET A 61 -14.100 4.469 0.666 1.00 0.57 H new ATOM 0 HA MET A 61 -11.174 4.660 0.526 1.00 0.51 H new ATOM 0 HB2 MET A 61 -11.517 2.790 2.068 1.00 0.57 H new ATOM 0 HB3 MET A 61 -12.758 2.113 1.032 1.00 0.57 H new ATOM 0 HG2 MET A 61 -10.966 1.873 -0.768 1.00 0.61 H new ATOM 0 HG3 MET A 61 -9.789 2.306 0.456 1.00 0.61 H new ATOM 0 HE1 MET A 61 -10.711 -0.756 3.051 1.00 1.15 H new ATOM 0 HE2 MET A 61 -10.353 0.986 3.012 1.00 1.15 H new ATOM 0 HE3 MET A 61 -12.016 0.413 2.742 1.00 1.15 H new ATOM 942 N ARG A 62 -11.412 4.099 -1.941 1.00 0.49 N ATOM 943 CA ARG A 62 -11.584 3.974 -3.396 1.00 0.50 C ATOM 944 C ARG A 62 -10.269 3.599 -4.095 1.00 0.44 C ATOM 945 O ARG A 62 -9.206 3.929 -3.557 1.00 0.43 O ATOM 946 CB ARG A 62 -12.185 5.268 -3.980 1.00 0.57 C ATOM 947 CG ARG A 62 -11.262 6.494 -3.891 1.00 1.83 C ATOM 948 CD ARG A 62 -11.923 7.707 -4.550 1.00 2.03 C ATOM 949 NE ARG A 62 -11.053 8.878 -4.431 1.00 3.03 N ATOM 950 CZ ARG A 62 -11.192 10.090 -4.933 1.00 3.82 C ATOM 951 NH1 ARG A 62 -12.225 10.427 -5.673 1.00 3.82 N ATOM 952 NH2 ARG A 62 -10.261 10.974 -4.667 1.00 4.83 N ATOM 0 H ARG A 62 -10.447 4.271 -1.659 1.00 0.49 H new ATOM 0 HA ARG A 62 -12.283 3.159 -3.582 1.00 0.50 H new ATOM 0 HB2 ARG A 62 -12.440 5.096 -5.026 1.00 0.57 H new ATOM 0 HB3 ARG A 62 -13.115 5.490 -3.457 1.00 0.57 H new ATOM 0 HG2 ARG A 62 -11.040 6.715 -2.847 1.00 1.83 H new ATOM 0 HG3 ARG A 62 -10.312 6.279 -4.380 1.00 1.83 H new ATOM 0 HD2 ARG A 62 -12.122 7.497 -5.601 1.00 2.03 H new ATOM 0 HD3 ARG A 62 -12.885 7.909 -4.078 1.00 2.03 H new ATOM 0 HE ARG A 62 -10.210 8.735 -3.875 1.00 3.03 H new ATOM 0 HH11 ARG A 62 -12.952 9.741 -5.876 1.00 3.82 H new ATOM 0 HH12 ARG A 62 -12.299 11.374 -6.044 1.00 3.82 H new ATOM 0 HH21 ARG A 62 -9.462 10.715 -4.089 1.00 4.83 H new ATOM 0 HH22 ARG A 62 -10.336 11.921 -5.039 1.00 4.83 H new ATOM 966 N PRO A 63 -10.308 2.951 -5.272 1.00 0.44 N ATOM 967 CA PRO A 63 -9.126 2.770 -6.096 1.00 0.39 C ATOM 968 C PRO A 63 -8.684 4.091 -6.724 1.00 0.36 C ATOM 969 O PRO A 63 -9.493 5.006 -6.883 1.00 0.39 O ATOM 970 CB PRO A 63 -9.496 1.714 -7.134 1.00 0.41 C ATOM 971 CG PRO A 63 -10.992 1.951 -7.332 1.00 0.45 C ATOM 972 CD PRO A 63 -11.463 2.349 -5.928 1.00 0.52 C ATOM 0 HA PRO A 63 -8.269 2.438 -5.511 1.00 0.39 H new ATOM 0 HB2 PRO A 63 -8.939 1.845 -8.062 1.00 0.41 H new ATOM 0 HB3 PRO A 63 -9.289 0.705 -6.777 1.00 0.41 H new ATOM 0 HG2 PRO A 63 -11.184 2.738 -8.061 1.00 0.45 H new ATOM 0 HG3 PRO A 63 -11.499 1.055 -7.690 1.00 0.45 H new ATOM 0 HD2 PRO A 63 -12.293 3.053 -5.980 1.00 0.52 H new ATOM 0 HD3 PRO A 63 -11.817 1.480 -5.374 1.00 0.52 H new ATOM 980 N VAL A 64 -7.390 4.180 -7.051 1.00 0.36 N ATOM 981 CA VAL A 64 -6.738 5.381 -7.606 1.00 0.33 C ATOM 982 C VAL A 64 -5.721 4.981 -8.696 1.00 0.38 C ATOM 983 O VAL A 64 -5.211 3.860 -8.642 1.00 0.42 O ATOM 984 CB VAL A 64 -6.084 6.245 -6.495 1.00 0.34 C ATOM 985 CG1 VAL A 64 -7.124 6.768 -5.493 1.00 0.56 C ATOM 986 CG2 VAL A 64 -4.964 5.527 -5.725 1.00 0.55 C ATOM 0 H VAL A 64 -6.745 3.398 -6.935 1.00 0.36 H new ATOM 0 HA VAL A 64 -7.505 6.002 -8.070 1.00 0.33 H new ATOM 0 HB VAL A 64 -5.632 7.080 -7.030 1.00 0.34 H new ATOM 0 HG11 VAL A 64 -6.626 7.368 -4.731 1.00 0.56 H new ATOM 0 HG12 VAL A 64 -7.857 7.382 -6.016 1.00 0.56 H new ATOM 0 HG13 VAL A 64 -7.628 5.926 -5.019 1.00 0.56 H new ATOM 0 HG21 VAL A 64 -4.557 6.196 -4.966 1.00 0.55 H new ATOM 0 HG22 VAL A 64 -5.367 4.635 -5.244 1.00 0.55 H new ATOM 0 HG23 VAL A 64 -4.173 5.240 -6.417 1.00 0.55 H new ATOM 996 N PRO A 65 -5.440 5.839 -9.704 1.00 0.44 N ATOM 997 CA PRO A 65 -4.700 5.453 -10.909 1.00 0.52 C ATOM 998 C PRO A 65 -3.200 5.308 -10.655 1.00 0.49 C ATOM 999 O PRO A 65 -2.549 4.521 -11.338 1.00 0.50 O ATOM 1000 CB PRO A 65 -5.001 6.550 -11.933 1.00 0.60 C ATOM 1001 CG PRO A 65 -5.207 7.790 -11.068 1.00 0.56 C ATOM 1002 CD PRO A 65 -5.870 7.226 -9.812 1.00 0.46 C ATOM 0 HA PRO A 65 -5.011 4.470 -11.263 1.00 0.52 H new ATOM 0 HB2 PRO A 65 -4.178 6.682 -12.635 1.00 0.60 H new ATOM 0 HB3 PRO A 65 -5.888 6.318 -12.522 1.00 0.60 H new ATOM 0 HG2 PRO A 65 -4.263 8.284 -10.839 1.00 0.56 H new ATOM 0 HG3 PRO A 65 -5.840 8.527 -11.563 1.00 0.56 H new ATOM 0 HD2 PRO A 65 -5.575 7.793 -8.929 1.00 0.46 H new ATOM 0 HD3 PRO A 65 -6.956 7.291 -9.884 1.00 0.46 H new ATOM 1010 N PHE A 66 -2.678 6.045 -9.672 1.00 0.45 N ATOM 1011 CA PHE A 66 -1.285 6.027 -9.228 1.00 0.40 C ATOM 1012 C PHE A 66 -1.072 6.935 -8.015 1.00 0.39 C ATOM 1013 O PHE A 66 -1.843 7.863 -7.768 1.00 0.44 O ATOM 1014 CB PHE A 66 -0.323 6.443 -10.353 1.00 0.40 C ATOM 1015 CG PHE A 66 -0.581 7.837 -10.864 1.00 0.43 C ATOM 1016 CD1 PHE A 66 -0.065 8.938 -10.161 1.00 1.65 C ATOM 1017 CD2 PHE A 66 -1.414 8.035 -11.976 1.00 1.68 C ATOM 1018 CE1 PHE A 66 -0.382 10.243 -10.548 1.00 1.67 C ATOM 1019 CE2 PHE A 66 -1.705 9.349 -12.395 1.00 1.70 C ATOM 1020 CZ PHE A 66 -1.195 10.452 -11.679 1.00 0.53 C ATOM 0 H PHE A 66 -3.245 6.703 -9.138 1.00 0.45 H new ATOM 0 HA PHE A 66 -1.064 4.998 -8.943 1.00 0.40 H new ATOM 0 HB2 PHE A 66 0.702 6.380 -9.988 1.00 0.40 H new ATOM 0 HB3 PHE A 66 -0.412 5.737 -11.179 1.00 0.40 H new ATOM 0 HD1 PHE A 66 0.583 8.775 -9.313 1.00 1.65 H new ATOM 0 HD2 PHE A 66 -1.828 7.189 -12.505 1.00 1.68 H new ATOM 0 HE1 PHE A 66 -0.007 11.084 -9.984 1.00 1.67 H new ATOM 0 HE2 PHE A 66 -2.321 9.512 -13.267 1.00 1.70 H new ATOM 0 HZ PHE A 66 -1.428 11.457 -11.998 1.00 0.53 H new ATOM 1030 N LEU A 67 0.056 6.722 -7.331 1.00 0.40 N ATOM 1031 CA LEU A 67 0.658 7.691 -6.412 1.00 0.43 C ATOM 1032 C LEU A 67 1.892 8.337 -7.044 1.00 0.45 C ATOM 1033 O LEU A 67 2.549 7.725 -7.884 1.00 0.44 O ATOM 1034 CB LEU A 67 1.068 7.000 -5.101 1.00 0.47 C ATOM 1035 CG LEU A 67 0.004 6.123 -4.422 1.00 0.50 C ATOM 1036 CD1 LEU A 67 0.515 5.773 -3.022 1.00 0.57 C ATOM 1037 CD2 LEU A 67 -1.377 6.770 -4.308 1.00 0.57 C ATOM 0 H LEU A 67 0.586 5.854 -7.402 1.00 0.40 H new ATOM 0 HA LEU A 67 -0.084 8.462 -6.202 1.00 0.43 H new ATOM 0 HB2 LEU A 67 1.942 6.381 -5.302 1.00 0.47 H new ATOM 0 HB3 LEU A 67 1.378 7.769 -4.393 1.00 0.47 H new ATOM 0 HG LEU A 67 -0.137 5.244 -5.051 1.00 0.50 H new ATOM 0 HD11 LEU A 67 -0.219 5.149 -2.512 1.00 0.57 H new ATOM 0 HD12 LEU A 67 1.457 5.231 -3.104 1.00 0.57 H new ATOM 0 HD13 LEU A 67 0.671 6.689 -2.452 1.00 0.57 H new ATOM 0 HD21 LEU A 67 -2.063 6.080 -3.817 1.00 0.57 H new ATOM 0 HD22 LEU A 67 -1.302 7.686 -3.722 1.00 0.57 H new ATOM 0 HD23 LEU A 67 -1.752 7.006 -5.304 1.00 0.57 H new ATOM 1049 N GLU A 68 2.227 9.554 -6.628 1.00 0.50 N ATOM 1050 CA GLU A 68 3.394 10.302 -7.108 1.00 0.56 C ATOM 1051 C GLU A 68 4.480 10.344 -6.026 1.00 0.66 C ATOM 1052 O GLU A 68 4.146 10.500 -4.851 1.00 0.82 O ATOM 1053 CB GLU A 68 2.956 11.737 -7.451 1.00 0.78 C ATOM 1054 CG GLU A 68 4.025 12.561 -8.184 1.00 0.80 C ATOM 1055 CD GLU A 68 3.994 12.305 -9.693 1.00 0.89 C ATOM 1056 OE1 GLU A 68 4.026 11.130 -10.116 1.00 1.62 O ATOM 1057 OE2 GLU A 68 3.868 13.276 -10.468 1.00 1.81 O ATOM 0 H GLU A 68 1.684 10.064 -5.931 1.00 0.50 H new ATOM 0 HA GLU A 68 3.800 9.811 -7.992 1.00 0.56 H new ATOM 0 HB2 GLU A 68 2.059 11.694 -8.069 1.00 0.78 H new ATOM 0 HB3 GLU A 68 2.684 12.252 -6.530 1.00 0.78 H new ATOM 0 HG2 GLU A 68 3.864 13.622 -7.991 1.00 0.80 H new ATOM 0 HG3 GLU A 68 5.011 12.311 -7.792 1.00 0.80 H new ATOM 1064 N VAL A 69 5.765 10.285 -6.405 1.00 0.75 N ATOM 1065 CA VAL A 69 6.861 10.680 -5.500 1.00 0.88 C ATOM 1066 C VAL A 69 7.970 11.448 -6.248 1.00 0.93 C ATOM 1067 O VAL A 69 8.560 10.895 -7.184 1.00 0.97 O ATOM 1068 CB VAL A 69 7.479 9.479 -4.729 1.00 0.98 C ATOM 1069 CG1 VAL A 69 8.396 9.975 -3.598 1.00 1.06 C ATOM 1070 CG2 VAL A 69 6.461 8.498 -4.115 1.00 1.09 C ATOM 0 H VAL A 69 6.072 9.970 -7.325 1.00 0.75 H new ATOM 0 HA VAL A 69 6.405 11.342 -4.764 1.00 0.88 H new ATOM 0 HB VAL A 69 8.031 8.931 -5.492 1.00 0.98 H new ATOM 0 HG11 VAL A 69 8.819 9.120 -3.071 1.00 1.06 H new ATOM 0 HG12 VAL A 69 9.202 10.575 -4.020 1.00 1.06 H new ATOM 0 HG13 VAL A 69 7.818 10.582 -2.901 1.00 1.06 H new ATOM 0 HG21 VAL A 69 6.992 7.698 -3.600 1.00 1.09 H new ATOM 0 HG22 VAL A 69 5.827 9.029 -3.405 1.00 1.09 H new ATOM 0 HG23 VAL A 69 5.843 8.073 -4.906 1.00 1.09 H new ATOM 1080 N PRO A 70 8.301 12.695 -5.849 1.00 1.00 N ATOM 1081 CA PRO A 70 9.369 13.483 -6.466 1.00 1.10 C ATOM 1082 C PRO A 70 10.755 12.916 -6.106 1.00 1.13 C ATOM 1083 O PRO A 70 10.871 12.194 -5.115 1.00 1.08 O ATOM 1084 CB PRO A 70 9.182 14.905 -5.927 1.00 1.17 C ATOM 1085 CG PRO A 70 8.588 14.672 -4.540 1.00 1.14 C ATOM 1086 CD PRO A 70 7.701 13.447 -4.751 1.00 1.03 C ATOM 0 HA PRO A 70 9.317 13.460 -7.555 1.00 1.10 H new ATOM 0 HB2 PRO A 70 10.128 15.445 -5.875 1.00 1.17 H new ATOM 0 HB3 PRO A 70 8.515 15.491 -6.558 1.00 1.17 H new ATOM 0 HG2 PRO A 70 9.362 14.487 -3.795 1.00 1.14 H new ATOM 0 HG3 PRO A 70 8.014 15.532 -4.197 1.00 1.14 H new ATOM 0 HD2 PRO A 70 7.651 12.842 -3.846 1.00 1.03 H new ATOM 0 HD3 PRO A 70 6.680 13.742 -4.993 1.00 1.03 H new ATOM 1094 N PRO A 71 11.812 13.227 -6.883 1.00 1.25 N ATOM 1095 CA PRO A 71 13.170 12.755 -6.620 1.00 1.30 C ATOM 1096 C PRO A 71 13.687 13.238 -5.264 1.00 1.33 C ATOM 1097 O PRO A 71 13.379 14.347 -4.834 1.00 1.42 O ATOM 1098 CB PRO A 71 14.016 13.262 -7.787 1.00 1.46 C ATOM 1099 CG PRO A 71 13.253 14.476 -8.302 1.00 1.43 C ATOM 1100 CD PRO A 71 11.801 14.078 -8.066 1.00 1.34 C ATOM 0 HA PRO A 71 13.212 11.668 -6.556 1.00 1.30 H new ATOM 0 HB2 PRO A 71 15.021 13.532 -7.463 1.00 1.46 H new ATOM 0 HB3 PRO A 71 14.124 12.502 -8.561 1.00 1.46 H new ATOM 0 HG2 PRO A 71 13.519 15.383 -7.758 1.00 1.43 H new ATOM 0 HG3 PRO A 71 13.456 14.665 -9.356 1.00 1.43 H new ATOM 0 HD2 PRO A 71 11.175 14.956 -7.910 1.00 1.34 H new ATOM 0 HD3 PRO A 71 11.396 13.546 -8.927 1.00 1.34 H new ATOM 1108 N LYS A 72 14.450 12.375 -4.581 1.00 1.30 N ATOM 1109 CA LYS A 72 15.055 12.579 -3.250 1.00 1.38 C ATOM 1110 C LYS A 72 14.038 12.667 -2.096 1.00 1.38 C ATOM 1111 O LYS A 72 14.427 12.704 -0.930 1.00 1.55 O ATOM 1112 CB LYS A 72 16.031 13.772 -3.265 1.00 1.56 C ATOM 1113 CG LYS A 72 17.011 13.762 -4.450 1.00 1.79 C ATOM 1114 CD LYS A 72 17.904 12.512 -4.517 1.00 1.58 C ATOM 1115 CE LYS A 72 18.691 12.539 -5.828 1.00 2.15 C ATOM 1116 NZ LYS A 72 19.553 11.347 -6.007 1.00 2.33 N ATOM 0 H LYS A 72 14.678 11.457 -4.963 1.00 1.30 H new ATOM 0 HA LYS A 72 15.625 11.675 -3.038 1.00 1.38 H new ATOM 0 HB2 LYS A 72 15.457 14.698 -3.289 1.00 1.56 H new ATOM 0 HB3 LYS A 72 16.600 13.774 -2.336 1.00 1.56 H new ATOM 0 HG2 LYS A 72 16.443 13.840 -5.377 1.00 1.79 H new ATOM 0 HG3 LYS A 72 17.646 14.646 -4.390 1.00 1.79 H new ATOM 0 HD2 LYS A 72 18.586 12.490 -3.667 1.00 1.58 H new ATOM 0 HD3 LYS A 72 17.295 11.610 -4.461 1.00 1.58 H new ATOM 0 HE2 LYS A 72 17.994 12.606 -6.663 1.00 2.15 H new ATOM 0 HE3 LYS A 72 19.309 13.436 -5.856 1.00 2.15 H new ATOM 0 HZ1 LYS A 72 20.545 11.607 -5.836 1.00 2.33 H new ATOM 0 HZ2 LYS A 72 19.268 10.608 -5.333 1.00 2.33 H new ATOM 0 HZ3 LYS A 72 19.452 10.988 -6.978 1.00 2.33 H new ATOM 1130 N GLY A 73 12.744 12.666 -2.412 1.00 1.29 N ATOM 1131 CA GLY A 73 11.644 12.584 -1.449 1.00 1.32 C ATOM 1132 C GLY A 73 11.395 11.148 -0.979 1.00 1.26 C ATOM 1133 O GLY A 73 11.838 10.188 -1.605 1.00 1.25 O ATOM 0 H GLY A 73 12.420 12.724 -3.378 1.00 1.29 H new ATOM 0 HA2 GLY A 73 11.869 13.213 -0.588 1.00 1.32 H new ATOM 0 HA3 GLY A 73 10.735 12.979 -1.903 1.00 1.32 H new ATOM 1137 N ARG A 74 10.631 11.011 0.110 1.00 1.34 N ATOM 1138 CA ARG A 74 10.117 9.730 0.616 1.00 1.32 C ATOM 1139 C ARG A 74 8.686 9.925 1.127 1.00 1.32 C ATOM 1140 O ARG A 74 8.355 10.997 1.631 1.00 1.78 O ATOM 1141 CB ARG A 74 11.088 9.119 1.646 1.00 2.08 C ATOM 1142 CG ARG A 74 10.796 9.298 3.150 1.00 1.73 C ATOM 1143 CD ARG A 74 9.894 8.223 3.756 1.00 1.77 C ATOM 1144 NE ARG A 74 10.183 7.957 5.180 1.00 2.24 N ATOM 1145 CZ ARG A 74 11.275 7.365 5.657 1.00 3.22 C ATOM 1146 NH1 ARG A 74 12.197 6.837 4.889 1.00 4.31 N ATOM 1147 NH2 ARG A 74 11.484 7.294 6.949 1.00 3.90 N ATOM 0 H ARG A 74 10.345 11.807 0.680 1.00 1.34 H new ATOM 0 HA ARG A 74 10.062 8.995 -0.187 1.00 1.32 H new ATOM 0 HB2 ARG A 74 11.147 8.049 1.448 1.00 2.08 H new ATOM 0 HB3 ARG A 74 12.077 9.534 1.452 1.00 2.08 H new ATOM 0 HG2 ARG A 74 11.742 9.308 3.692 1.00 1.73 H new ATOM 0 HG3 ARG A 74 10.331 10.272 3.303 1.00 1.73 H new ATOM 0 HD2 ARG A 74 8.853 8.531 3.654 1.00 1.77 H new ATOM 0 HD3 ARG A 74 10.010 7.299 3.190 1.00 1.77 H new ATOM 0 HE ARG A 74 9.482 8.254 5.859 1.00 2.24 H new ATOM 0 HH11 ARG A 74 12.095 6.869 3.875 1.00 4.31 H new ATOM 0 HH12 ARG A 74 13.016 6.394 5.306 1.00 4.31 H new ATOM 0 HH21 ARG A 74 10.807 7.694 7.598 1.00 3.90 H new ATOM 0 HH22 ARG A 74 12.324 6.838 7.305 1.00 3.90 H new ATOM 1161 N VAL A 75 7.833 8.915 0.965 1.00 1.25 N ATOM 1162 CA VAL A 75 6.366 8.953 1.185 1.00 1.76 C ATOM 1163 C VAL A 75 5.925 7.560 1.645 1.00 1.42 C ATOM 1164 O VAL A 75 6.644 6.600 1.409 1.00 1.63 O ATOM 1165 CB VAL A 75 5.610 9.372 -0.111 1.00 2.41 C ATOM 1166 CG1 VAL A 75 4.074 9.309 0.015 1.00 3.06 C ATOM 1167 CG2 VAL A 75 5.962 10.810 -0.540 1.00 2.87 C ATOM 0 H VAL A 75 8.151 7.995 0.661 1.00 1.25 H new ATOM 0 HA VAL A 75 6.125 9.697 1.944 1.00 1.76 H new ATOM 0 HB VAL A 75 5.939 8.644 -0.853 1.00 2.41 H new ATOM 0 HG11 VAL A 75 3.619 9.615 -0.927 1.00 3.06 H new ATOM 0 HG12 VAL A 75 3.770 8.289 0.251 1.00 3.06 H new ATOM 0 HG13 VAL A 75 3.746 9.978 0.810 1.00 3.06 H new ATOM 0 HG21 VAL A 75 5.414 11.063 -1.448 1.00 2.87 H new ATOM 0 HG22 VAL A 75 5.688 11.504 0.255 1.00 2.87 H new ATOM 0 HG23 VAL A 75 7.033 10.881 -0.731 1.00 2.87 H new ATOM 1177 N GLU A 76 4.774 7.408 2.307 1.00 1.23 N ATOM 1178 CA GLU A 76 4.314 6.113 2.791 1.00 0.96 C ATOM 1179 C GLU A 76 2.833 5.890 2.488 1.00 0.92 C ATOM 1180 O GLU A 76 2.013 6.808 2.600 1.00 1.11 O ATOM 1181 CB GLU A 76 4.544 5.996 4.300 1.00 1.18 C ATOM 1182 CG GLU A 76 5.864 6.591 4.795 1.00 1.70 C ATOM 1183 CD GLU A 76 6.119 6.159 6.227 1.00 2.97 C ATOM 1184 OE1 GLU A 76 5.551 6.821 7.121 1.00 3.37 O ATOM 1185 OE2 GLU A 76 6.889 5.188 6.405 1.00 4.46 O ATOM 0 H GLU A 76 4.141 8.179 2.519 1.00 1.23 H new ATOM 0 HA GLU A 76 4.891 5.349 2.269 1.00 0.96 H new ATOM 0 HB2 GLU A 76 3.722 6.490 4.818 1.00 1.18 H new ATOM 0 HB3 GLU A 76 4.509 4.943 4.578 1.00 1.18 H new ATOM 0 HG2 GLU A 76 6.683 6.263 4.155 1.00 1.70 H new ATOM 0 HG3 GLU A 76 5.828 7.679 4.735 1.00 1.70 H new ATOM 1192 N LEU A 77 2.485 4.645 2.148 1.00 0.78 N ATOM 1193 CA LEU A 77 1.108 4.194 2.042 1.00 0.82 C ATOM 1194 C LEU A 77 0.522 4.025 3.457 1.00 1.20 C ATOM 1195 O LEU A 77 0.457 2.937 4.007 1.00 2.27 O ATOM 1196 CB LEU A 77 1.047 2.923 1.165 1.00 0.77 C ATOM 1197 CG LEU A 77 1.175 3.190 -0.353 1.00 0.68 C ATOM 1198 CD1 LEU A 77 2.617 3.226 -0.874 1.00 0.69 C ATOM 1199 CD2 LEU A 77 0.398 2.134 -1.140 1.00 0.94 C ATOM 0 H LEU A 77 3.168 3.917 1.937 1.00 0.78 H new ATOM 0 HA LEU A 77 0.482 4.931 1.539 1.00 0.82 H new ATOM 0 HB2 LEU A 77 1.844 2.246 1.471 1.00 0.77 H new ATOM 0 HB3 LEU A 77 0.104 2.411 1.354 1.00 0.77 H new ATOM 0 HG LEU A 77 0.760 4.187 -0.504 1.00 0.68 H new ATOM 0 HD11 LEU A 77 2.612 3.418 -1.947 1.00 0.69 H new ATOM 0 HD12 LEU A 77 3.168 4.018 -0.366 1.00 0.69 H new ATOM 0 HD13 LEU A 77 3.098 2.267 -0.680 1.00 0.69 H new ATOM 0 HD21 LEU A 77 0.495 2.332 -2.208 1.00 0.94 H new ATOM 0 HD22 LEU A 77 0.799 1.145 -0.916 1.00 0.94 H new ATOM 0 HD23 LEU A 77 -0.654 2.171 -0.858 1.00 0.94 H new ATOM 1211 N LYS A 78 0.126 5.134 4.086 1.00 0.90 N ATOM 1212 CA LYS A 78 -0.367 5.151 5.470 1.00 1.11 C ATOM 1213 C LYS A 78 -1.676 4.336 5.695 1.00 1.04 C ATOM 1214 O LYS A 78 -2.544 4.339 4.819 1.00 0.99 O ATOM 1215 CB LYS A 78 -0.503 6.624 5.922 1.00 1.32 C ATOM 1216 CG LYS A 78 -1.593 7.382 5.141 1.00 1.39 C ATOM 1217 CD LYS A 78 -1.798 8.838 5.584 1.00 2.01 C ATOM 1218 CE LYS A 78 -0.599 9.721 5.218 1.00 1.80 C ATOM 1219 NZ LYS A 78 -0.901 11.158 5.423 1.00 3.22 N ATOM 0 H LYS A 78 0.138 6.055 3.647 1.00 0.90 H new ATOM 0 HA LYS A 78 0.364 4.636 6.093 1.00 1.11 H new ATOM 0 HB2 LYS A 78 -0.736 6.654 6.986 1.00 1.32 H new ATOM 0 HB3 LYS A 78 0.453 7.131 5.790 1.00 1.32 H new ATOM 0 HG2 LYS A 78 -1.337 7.370 4.081 1.00 1.39 H new ATOM 0 HG3 LYS A 78 -2.537 6.847 5.247 1.00 1.39 H new ATOM 0 HD2 LYS A 78 -2.698 9.236 5.116 1.00 2.01 H new ATOM 0 HD3 LYS A 78 -1.957 8.871 6.662 1.00 2.01 H new ATOM 0 HE2 LYS A 78 0.261 9.439 5.825 1.00 1.80 H new ATOM 0 HE3 LYS A 78 -0.324 9.551 4.177 1.00 1.80 H new ATOM 0 HZ1 LYS A 78 -0.070 11.728 5.166 1.00 3.22 H new ATOM 0 HZ2 LYS A 78 -1.707 11.432 4.825 1.00 3.22 H new ATOM 0 HZ3 LYS A 78 -1.139 11.324 6.422 1.00 3.22 H new ATOM 1233 N PRO A 79 -1.911 3.770 6.903 1.00 1.26 N ATOM 1234 CA PRO A 79 -3.163 3.089 7.245 1.00 1.41 C ATOM 1235 C PRO A 79 -4.396 3.992 7.105 1.00 1.29 C ATOM 1236 O PRO A 79 -5.337 3.638 6.399 1.00 2.27 O ATOM 1237 CB PRO A 79 -2.975 2.539 8.663 1.00 1.78 C ATOM 1238 CG PRO A 79 -1.883 3.432 9.250 1.00 1.78 C ATOM 1239 CD PRO A 79 -1.001 3.723 8.039 1.00 1.61 C ATOM 0 HA PRO A 79 -3.365 2.279 6.544 1.00 1.41 H new ATOM 0 HB2 PRO A 79 -3.897 2.599 9.242 1.00 1.78 H new ATOM 0 HB3 PRO A 79 -2.673 1.492 8.651 1.00 1.78 H new ATOM 0 HG2 PRO A 79 -2.294 4.345 9.680 1.00 1.78 H new ATOM 0 HG3 PRO A 79 -1.330 2.928 10.042 1.00 1.78 H new ATOM 0 HD2 PRO A 79 -0.470 4.668 8.157 1.00 1.61 H new ATOM 0 HD3 PRO A 79 -0.246 2.948 7.907 1.00 1.61 H new ATOM 1247 N GLY A 80 -4.351 5.198 7.685 1.00 0.83 N ATOM 1248 CA GLY A 80 -5.372 6.236 7.495 1.00 0.91 C ATOM 1249 C GLY A 80 -5.180 6.974 6.170 1.00 1.08 C ATOM 1250 O GLY A 80 -4.940 8.182 6.176 1.00 2.12 O ATOM 0 H GLY A 80 -3.595 5.484 8.307 1.00 0.83 H new ATOM 0 HA2 GLY A 80 -6.363 5.782 7.520 1.00 0.91 H new ATOM 0 HA3 GLY A 80 -5.327 6.948 8.319 1.00 0.91 H new ATOM 1254 N GLY A 81 -5.203 6.244 5.051 1.00 0.73 N ATOM 1255 CA GLY A 81 -5.005 6.778 3.697 1.00 0.81 C ATOM 1256 C GLY A 81 -4.586 5.731 2.667 1.00 0.96 C ATOM 1257 O GLY A 81 -5.302 4.752 2.448 1.00 1.74 O ATOM 0 H GLY A 81 -5.364 5.237 5.061 1.00 0.73 H new ATOM 0 HA2 GLY A 81 -5.931 7.248 3.365 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -4.246 7.559 3.734 1.00 0.81 H new ATOM 1261 N TYR A 82 -3.475 5.967 1.972 1.00 0.68 N ATOM 1262 CA TYR A 82 -3.099 5.184 0.789 1.00 0.69 C ATOM 1263 C TYR A 82 -2.617 3.788 1.151 1.00 0.69 C ATOM 1264 O TYR A 82 -1.908 3.601 2.125 1.00 0.76 O ATOM 1265 CB TYR A 82 -2.000 5.901 0.012 1.00 0.74 C ATOM 1266 CG TYR A 82 -2.470 7.204 -0.578 1.00 0.76 C ATOM 1267 CD1 TYR A 82 -3.314 7.147 -1.696 1.00 1.74 C ATOM 1268 CD2 TYR A 82 -2.150 8.442 0.013 1.00 2.29 C ATOM 1269 CE1 TYR A 82 -3.837 8.326 -2.238 1.00 1.68 C ATOM 1270 CE2 TYR A 82 -2.714 9.626 -0.503 1.00 2.34 C ATOM 1271 CZ TYR A 82 -3.587 9.564 -1.616 1.00 0.80 C ATOM 1272 OH TYR A 82 -4.256 10.664 -2.045 1.00 0.89 O ATOM 0 H TYR A 82 -2.810 6.703 2.209 1.00 0.68 H new ATOM 0 HA TYR A 82 -3.995 5.086 0.176 1.00 0.69 H new ATOM 0 HB2 TYR A 82 -1.155 6.089 0.674 1.00 0.74 H new ATOM 0 HB3 TYR A 82 -1.641 5.252 -0.787 1.00 0.74 H new ATOM 0 HD1 TYR A 82 -3.560 6.193 -2.139 1.00 1.74 H new ATOM 0 HD2 TYR A 82 -1.477 8.484 0.856 1.00 2.29 H new ATOM 0 HE1 TYR A 82 -4.435 8.286 -3.137 1.00 1.68 H new ATOM 0 HE2 TYR A 82 -2.481 10.578 -0.050 1.00 2.34 H new ATOM 0 HH TYR A 82 -5.136 10.400 -2.385 1.00 0.89 H new ATOM 1282 N HIS A 83 -3.026 2.797 0.374 1.00 0.64 N ATOM 1283 CA HIS A 83 -2.687 1.388 0.595 1.00 0.62 C ATOM 1284 C HIS A 83 -2.932 0.561 -0.669 1.00 0.54 C ATOM 1285 O HIS A 83 -3.848 0.860 -1.435 1.00 0.53 O ATOM 1286 CB HIS A 83 -3.466 0.843 1.792 1.00 0.65 C ATOM 1287 CG HIS A 83 -4.951 0.867 1.601 1.00 0.62 C ATOM 1288 ND1 HIS A 83 -5.755 1.978 1.705 1.00 0.65 N ATOM 1289 CD2 HIS A 83 -5.727 -0.172 1.172 1.00 0.57 C ATOM 1290 CE1 HIS A 83 -6.995 1.629 1.334 1.00 0.61 C ATOM 1291 NE2 HIS A 83 -7.021 0.324 1.023 1.00 0.57 N ATOM 0 H HIS A 83 -3.615 2.946 -0.446 1.00 0.64 H new ATOM 0 HA HIS A 83 -1.624 1.312 0.824 1.00 0.62 H new ATOM 0 HB2 HIS A 83 -3.149 -0.182 1.985 1.00 0.65 H new ATOM 0 HB3 HIS A 83 -3.212 1.427 2.677 1.00 0.65 H new ATOM 0 HD1 HIS A 83 -5.460 2.905 2.011 1.00 0.65 H new ATOM 0 HD2 HIS A 83 -5.400 -1.184 0.984 1.00 0.57 H new ATOM 0 HE1 HIS A 83 -7.843 2.296 1.292 1.00 0.61 H new ATOM 1299 N PHE A 84 -2.189 -0.530 -0.845 1.00 0.54 N ATOM 1300 CA PHE A 84 -2.596 -1.561 -1.798 1.00 0.49 C ATOM 1301 C PHE A 84 -3.662 -2.462 -1.162 1.00 0.47 C ATOM 1302 O PHE A 84 -3.568 -2.769 0.025 1.00 0.54 O ATOM 1303 CB PHE A 84 -1.384 -2.376 -2.261 1.00 0.58 C ATOM 1304 CG PHE A 84 -0.446 -1.573 -3.133 1.00 0.59 C ATOM 1305 CD1 PHE A 84 -0.725 -1.395 -4.498 1.00 1.91 C ATOM 1306 CD2 PHE A 84 0.671 -0.941 -2.562 1.00 1.48 C ATOM 1307 CE1 PHE A 84 0.096 -0.573 -5.285 1.00 1.93 C ATOM 1308 CE2 PHE A 84 1.485 -0.107 -3.342 1.00 1.48 C ATOM 1309 CZ PHE A 84 1.192 0.084 -4.702 1.00 0.65 C ATOM 0 H PHE A 84 -1.318 -0.722 -0.350 1.00 0.54 H new ATOM 0 HA PHE A 84 -3.027 -1.084 -2.678 1.00 0.49 H new ATOM 0 HB2 PHE A 84 -0.841 -2.741 -1.389 1.00 0.58 H new ATOM 0 HB3 PHE A 84 -1.728 -3.251 -2.812 1.00 0.58 H new ATOM 0 HD1 PHE A 84 -1.574 -1.892 -4.943 1.00 1.91 H new ATOM 0 HD2 PHE A 84 0.904 -1.098 -1.519 1.00 1.48 H new ATOM 0 HE1 PHE A 84 -0.114 -0.446 -6.337 1.00 1.93 H new ATOM 0 HE2 PHE A 84 2.336 0.388 -2.897 1.00 1.48 H new ATOM 0 HZ PHE A 84 1.810 0.737 -5.300 1.00 0.65 H new ATOM 1319 N MET A 85 -4.638 -2.915 -1.950 1.00 0.49 N ATOM 1320 CA MET A 85 -5.578 -3.999 -1.618 1.00 0.45 C ATOM 1321 C MET A 85 -5.048 -5.302 -2.224 1.00 0.44 C ATOM 1322 O MET A 85 -4.792 -5.330 -3.421 1.00 0.49 O ATOM 1323 CB MET A 85 -6.976 -3.698 -2.165 1.00 0.51 C ATOM 1324 CG MET A 85 -8.051 -4.191 -1.189 1.00 0.57 C ATOM 1325 SD MET A 85 -8.171 -3.214 0.347 1.00 0.82 S ATOM 1326 CE MET A 85 -9.064 -4.402 1.397 1.00 0.58 C ATOM 0 H MET A 85 -4.806 -2.524 -2.877 1.00 0.49 H new ATOM 0 HA MET A 85 -5.657 -4.090 -0.535 1.00 0.45 H new ATOM 0 HB2 MET A 85 -7.087 -2.626 -2.326 1.00 0.51 H new ATOM 0 HB3 MET A 85 -7.106 -4.181 -3.133 1.00 0.51 H new ATOM 0 HG2 MET A 85 -9.018 -4.176 -1.693 1.00 0.57 H new ATOM 0 HG3 MET A 85 -7.843 -5.229 -0.931 1.00 0.57 H new ATOM 0 HE1 MET A 85 -9.225 -3.967 2.383 1.00 0.58 H new ATOM 0 HE2 MET A 85 -10.026 -4.637 0.943 1.00 0.58 H new ATOM 0 HE3 MET A 85 -8.476 -5.315 1.495 1.00 0.58 H new ATOM 1336 N LEU A 86 -4.843 -6.356 -1.433 1.00 0.47 N ATOM 1337 CA LEU A 86 -4.233 -7.616 -1.883 1.00 0.50 C ATOM 1338 C LEU A 86 -5.311 -8.704 -1.920 1.00 0.54 C ATOM 1339 O LEU A 86 -5.922 -9.003 -0.898 1.00 0.58 O ATOM 1340 CB LEU A 86 -3.078 -8.014 -0.942 1.00 0.58 C ATOM 1341 CG LEU A 86 -1.737 -7.274 -1.142 1.00 0.67 C ATOM 1342 CD1 LEU A 86 -1.793 -5.779 -0.788 1.00 1.02 C ATOM 1343 CD2 LEU A 86 -0.665 -7.936 -0.262 1.00 1.18 C ATOM 0 H LEU A 86 -5.099 -6.362 -0.446 1.00 0.47 H new ATOM 0 HA LEU A 86 -3.819 -7.491 -2.883 1.00 0.50 H new ATOM 0 HB2 LEU A 86 -3.405 -7.855 0.085 1.00 0.58 H new ATOM 0 HB3 LEU A 86 -2.898 -9.083 -1.057 1.00 0.58 H new ATOM 0 HG LEU A 86 -1.501 -7.345 -2.204 1.00 0.67 H new ATOM 0 HD11 LEU A 86 -0.814 -5.329 -0.954 1.00 1.02 H new ATOM 0 HD12 LEU A 86 -2.532 -5.283 -1.418 1.00 1.02 H new ATOM 0 HD13 LEU A 86 -2.072 -5.663 0.259 1.00 1.02 H new ATOM 0 HD21 LEU A 86 0.286 -7.420 -0.397 1.00 1.18 H new ATOM 0 HD22 LEU A 86 -0.965 -7.876 0.784 1.00 1.18 H new ATOM 0 HD23 LEU A 86 -0.554 -8.982 -0.549 1.00 1.18 H new ATOM 1355 N LEU A 87 -5.554 -9.297 -3.087 1.00 0.63 N ATOM 1356 CA LEU A 87 -6.661 -10.227 -3.327 1.00 0.68 C ATOM 1357 C LEU A 87 -6.151 -11.674 -3.436 1.00 0.76 C ATOM 1358 O LEU A 87 -5.010 -11.934 -3.830 1.00 1.05 O ATOM 1359 CB LEU A 87 -7.387 -9.841 -4.635 1.00 1.01 C ATOM 1360 CG LEU A 87 -8.240 -8.552 -4.655 1.00 1.17 C ATOM 1361 CD1 LEU A 87 -9.404 -8.615 -3.658 1.00 1.65 C ATOM 1362 CD2 LEU A 87 -7.432 -7.270 -4.412 1.00 2.47 C ATOM 0 H LEU A 87 -4.975 -9.142 -3.912 1.00 0.63 H new ATOM 0 HA LEU A 87 -7.350 -10.164 -2.485 1.00 0.68 H new ATOM 0 HB2 LEU A 87 -6.634 -9.752 -5.418 1.00 1.01 H new ATOM 0 HB3 LEU A 87 -8.036 -10.672 -4.911 1.00 1.01 H new ATOM 0 HG LEU A 87 -8.635 -8.503 -5.670 1.00 1.17 H new ATOM 0 HD11 LEU A 87 -9.976 -7.688 -3.707 1.00 1.65 H new ATOM 0 HD12 LEU A 87 -10.052 -9.455 -3.908 1.00 1.65 H new ATOM 0 HD13 LEU A 87 -9.012 -8.747 -2.649 1.00 1.65 H new ATOM 0 HD21 LEU A 87 -8.099 -6.408 -4.441 1.00 2.47 H new ATOM 0 HD22 LEU A 87 -6.950 -7.323 -3.436 1.00 2.47 H new ATOM 0 HD23 LEU A 87 -6.672 -7.166 -5.187 1.00 2.47 H new ATOM 1374 N GLY A 88 -7.034 -12.625 -3.132 1.00 0.64 N ATOM 1375 CA GLY A 88 -6.856 -14.080 -3.260 1.00 0.78 C ATOM 1376 C GLY A 88 -6.001 -14.721 -2.161 1.00 1.07 C ATOM 1377 O GLY A 88 -6.428 -15.693 -1.548 1.00 2.56 O ATOM 0 H GLY A 88 -7.956 -12.389 -2.765 1.00 0.64 H new ATOM 0 HA2 GLY A 88 -7.838 -14.554 -3.260 1.00 0.78 H new ATOM 0 HA3 GLY A 88 -6.400 -14.293 -4.227 1.00 0.78 H new ATOM 1381 N LEU A 89 -4.809 -14.155 -1.938 1.00 0.84 N ATOM 1382 CA LEU A 89 -3.721 -14.629 -1.088 1.00 0.81 C ATOM 1383 C LEU A 89 -3.250 -16.055 -1.392 1.00 0.87 C ATOM 1384 O LEU A 89 -3.846 -16.817 -2.143 1.00 1.14 O ATOM 1385 CB LEU A 89 -4.093 -14.461 0.380 1.00 0.74 C ATOM 1386 CG LEU A 89 -4.637 -13.080 0.796 1.00 0.79 C ATOM 1387 CD1 LEU A 89 -4.767 -13.069 2.320 1.00 0.74 C ATOM 1388 CD2 LEU A 89 -3.770 -11.896 0.341 1.00 0.88 C ATOM 0 H LEU A 89 -4.564 -13.274 -2.391 1.00 0.84 H new ATOM 0 HA LEU A 89 -2.859 -14.003 -1.319 1.00 0.81 H new ATOM 0 HB2 LEU A 89 -4.841 -15.213 0.631 1.00 0.74 H new ATOM 0 HB3 LEU A 89 -3.211 -14.676 0.983 1.00 0.74 H new ATOM 0 HG LEU A 89 -5.598 -12.944 0.299 1.00 0.79 H new ATOM 0 HD11 LEU A 89 -5.151 -12.102 2.645 1.00 0.74 H new ATOM 0 HD12 LEU A 89 -5.454 -13.856 2.632 1.00 0.74 H new ATOM 0 HD13 LEU A 89 -3.789 -13.241 2.770 1.00 0.74 H new ATOM 0 HD21 LEU A 89 -4.224 -10.963 0.675 1.00 0.88 H new ATOM 0 HD22 LEU A 89 -2.773 -11.989 0.771 1.00 0.88 H new ATOM 0 HD23 LEU A 89 -3.697 -11.895 -0.747 1.00 0.88 H new ATOM 1400 N LYS A 90 -2.114 -16.393 -0.794 1.00 0.79 N ATOM 1401 CA LYS A 90 -1.511 -17.725 -0.809 1.00 0.80 C ATOM 1402 C LYS A 90 -1.409 -18.380 0.575 1.00 0.76 C ATOM 1403 O LYS A 90 -1.316 -19.600 0.674 1.00 0.85 O ATOM 1404 CB LYS A 90 -0.125 -17.607 -1.421 1.00 1.02 C ATOM 1405 CG LYS A 90 -0.076 -17.031 -2.846 1.00 1.26 C ATOM 1406 CD LYS A 90 -0.898 -17.789 -3.883 1.00 1.49 C ATOM 1407 CE LYS A 90 -0.524 -17.247 -5.269 1.00 1.90 C ATOM 1408 NZ LYS A 90 -0.963 -18.131 -6.369 1.00 2.53 N ATOM 0 H LYS A 90 -1.563 -15.720 -0.262 1.00 0.79 H new ATOM 0 HA LYS A 90 -2.163 -18.372 -1.396 1.00 0.80 H new ATOM 0 HB2 LYS A 90 0.487 -16.979 -0.773 1.00 1.02 H new ATOM 0 HB3 LYS A 90 0.333 -18.596 -1.432 1.00 1.02 H new ATOM 0 HG2 LYS A 90 -0.423 -15.998 -2.815 1.00 1.26 H new ATOM 0 HG3 LYS A 90 0.963 -17.008 -3.176 1.00 1.26 H new ATOM 0 HD2 LYS A 90 -0.695 -18.858 -3.824 1.00 1.49 H new ATOM 0 HD3 LYS A 90 -1.964 -17.656 -3.696 1.00 1.49 H new ATOM 0 HE2 LYS A 90 -0.971 -16.262 -5.401 1.00 1.90 H new ATOM 0 HE3 LYS A 90 0.557 -17.117 -5.323 1.00 1.90 H new ATOM 0 HZ1 LYS A 90 -0.439 -17.894 -7.235 1.00 2.53 H new ATOM 0 HZ2 LYS A 90 -0.778 -19.122 -6.113 1.00 2.53 H new ATOM 0 HZ3 LYS A 90 -1.981 -18.000 -6.534 1.00 2.53 H new ATOM 1422 N ARG A 91 -1.397 -17.570 1.640 1.00 0.80 N ATOM 1423 CA ARG A 91 -1.355 -17.999 3.028 1.00 0.95 C ATOM 1424 C ARG A 91 -2.321 -17.175 3.901 1.00 0.91 C ATOM 1425 O ARG A 91 -2.484 -15.988 3.613 1.00 0.89 O ATOM 1426 CB ARG A 91 0.091 -17.891 3.535 1.00 1.26 C ATOM 1427 CG ARG A 91 0.645 -16.487 3.856 1.00 1.84 C ATOM 1428 CD ARG A 91 2.064 -16.591 4.441 1.00 2.52 C ATOM 1429 NE ARG A 91 2.422 -15.422 5.265 1.00 3.83 N ATOM 1430 CZ ARG A 91 3.277 -14.442 4.988 1.00 5.25 C ATOM 1431 NH1 ARG A 91 4.001 -14.361 3.894 1.00 5.89 N ATOM 1432 NH2 ARG A 91 3.424 -13.482 5.857 1.00 6.52 N ATOM 0 H ARG A 91 -1.417 -16.555 1.545 1.00 0.80 H new ATOM 0 HA ARG A 91 -1.684 -19.036 3.095 1.00 0.95 H new ATOM 0 HB2 ARG A 91 0.174 -18.497 4.437 1.00 1.26 H new ATOM 0 HB3 ARG A 91 0.742 -18.343 2.786 1.00 1.26 H new ATOM 0 HG2 ARG A 91 0.662 -15.880 2.951 1.00 1.84 H new ATOM 0 HG3 ARG A 91 -0.012 -15.983 4.565 1.00 1.84 H new ATOM 0 HD2 ARG A 91 2.139 -17.495 5.046 1.00 2.52 H new ATOM 0 HD3 ARG A 91 2.782 -16.692 3.627 1.00 2.52 H new ATOM 0 HE ARG A 91 1.951 -15.356 6.167 1.00 3.83 H new ATOM 0 HH11 ARG A 91 3.929 -15.086 3.180 1.00 5.89 H new ATOM 0 HH12 ARG A 91 4.635 -13.573 3.759 1.00 5.89 H new ATOM 0 HH21 ARG A 91 2.889 -13.494 6.726 1.00 6.52 H new ATOM 0 HH22 ARG A 91 4.074 -12.719 5.669 1.00 6.52 H new ATOM 1446 N PRO A 92 -2.884 -17.745 4.984 1.00 1.02 N ATOM 1447 CA PRO A 92 -3.341 -16.957 6.121 1.00 1.16 C ATOM 1448 C PRO A 92 -2.106 -16.367 6.812 1.00 1.24 C ATOM 1449 O PRO A 92 -1.062 -17.022 6.892 1.00 1.53 O ATOM 1450 CB PRO A 92 -4.096 -17.937 7.022 1.00 1.35 C ATOM 1451 CG PRO A 92 -3.390 -19.267 6.758 1.00 1.31 C ATOM 1452 CD PRO A 92 -2.958 -19.168 5.294 1.00 1.13 C ATOM 0 HA PRO A 92 -3.993 -16.127 5.851 1.00 1.16 H new ATOM 0 HB2 PRO A 92 -4.034 -17.649 8.071 1.00 1.35 H new ATOM 0 HB3 PRO A 92 -5.155 -17.985 6.767 1.00 1.35 H new ATOM 0 HG2 PRO A 92 -2.534 -19.403 7.419 1.00 1.31 H new ATOM 0 HG3 PRO A 92 -4.057 -20.113 6.922 1.00 1.31 H new ATOM 0 HD2 PRO A 92 -1.993 -19.650 5.140 1.00 1.13 H new ATOM 0 HD3 PRO A 92 -3.673 -19.671 4.643 1.00 1.13 H new ATOM 1460 N LEU A 93 -2.216 -15.132 7.301 1.00 1.33 N ATOM 1461 CA LEU A 93 -1.107 -14.399 7.913 1.00 1.39 C ATOM 1462 C LEU A 93 -0.974 -14.768 9.403 1.00 1.90 C ATOM 1463 O LEU A 93 -1.748 -15.567 9.929 1.00 3.00 O ATOM 1464 CB LEU A 93 -1.303 -12.880 7.693 1.00 1.73 C ATOM 1465 CG LEU A 93 -1.207 -12.313 6.255 1.00 1.37 C ATOM 1466 CD1 LEU A 93 0.124 -12.651 5.577 1.00 2.12 C ATOM 1467 CD2 LEU A 93 -2.356 -12.717 5.322 1.00 1.64 C ATOM 0 H LEU A 93 -3.089 -14.605 7.283 1.00 1.33 H new ATOM 0 HA LEU A 93 -0.169 -14.683 7.435 1.00 1.39 H new ATOM 0 HB2 LEU A 93 -2.284 -12.614 8.087 1.00 1.73 H new ATOM 0 HB3 LEU A 93 -0.563 -12.361 8.302 1.00 1.73 H new ATOM 0 HG LEU A 93 -1.281 -11.237 6.410 1.00 1.37 H new ATOM 0 HD11 LEU A 93 0.138 -12.230 4.572 1.00 2.12 H new ATOM 0 HD12 LEU A 93 0.945 -12.231 6.158 1.00 2.12 H new ATOM 0 HD13 LEU A 93 0.238 -13.733 5.518 1.00 2.12 H new ATOM 0 HD21 LEU A 93 -2.200 -12.272 4.339 1.00 1.64 H new ATOM 0 HD22 LEU A 93 -2.384 -13.803 5.228 1.00 1.64 H new ATOM 0 HD23 LEU A 93 -3.301 -12.364 5.735 1.00 1.64 H new ATOM 1479 N LYS A 94 0.032 -14.231 10.094 1.00 1.52 N ATOM 1480 CA LYS A 94 0.075 -14.028 11.554 1.00 1.69 C ATOM 1481 C LYS A 94 0.259 -12.532 11.835 1.00 1.13 C ATOM 1482 O LYS A 94 0.503 -11.740 10.930 1.00 1.58 O ATOM 1483 CB LYS A 94 1.224 -14.808 12.244 1.00 2.51 C ATOM 1484 CG LYS A 94 1.622 -16.188 11.711 1.00 2.76 C ATOM 1485 CD LYS A 94 0.506 -17.244 11.669 1.00 2.13 C ATOM 1486 CE LYS A 94 0.656 -18.184 10.460 1.00 2.76 C ATOM 1487 NZ LYS A 94 0.539 -17.455 9.172 1.00 3.47 N ATOM 0 H LYS A 94 0.883 -13.908 9.634 1.00 1.52 H new ATOM 0 HA LYS A 94 -0.863 -14.406 11.962 1.00 1.69 H new ATOM 0 HB2 LYS A 94 2.112 -14.177 12.214 1.00 2.51 H new ATOM 0 HB3 LYS A 94 0.954 -14.928 13.293 1.00 2.51 H new ATOM 0 HG2 LYS A 94 2.017 -16.066 10.702 1.00 2.76 H new ATOM 0 HG3 LYS A 94 2.435 -16.572 12.327 1.00 2.76 H new ATOM 0 HD2 LYS A 94 0.524 -17.829 12.589 1.00 2.13 H new ATOM 0 HD3 LYS A 94 -0.463 -16.747 11.626 1.00 2.13 H new ATOM 0 HE2 LYS A 94 1.623 -18.684 10.507 1.00 2.76 H new ATOM 0 HE3 LYS A 94 -0.107 -18.961 10.508 1.00 2.76 H new ATOM 0 HZ1 LYS A 94 0.696 -18.115 8.384 1.00 3.47 H new ATOM 0 HZ2 LYS A 94 -0.412 -17.041 9.092 1.00 3.47 H new ATOM 0 HZ3 LYS A 94 1.250 -16.697 9.136 1.00 3.47 H new ATOM 1501 N ALA A 95 0.242 -12.164 13.107 1.00 1.17 N ATOM 1502 CA ALA A 95 0.922 -10.965 13.568 1.00 1.01 C ATOM 1503 C ALA A 95 2.395 -11.338 13.817 1.00 1.16 C ATOM 1504 O ALA A 95 2.647 -12.319 14.516 1.00 1.49 O ATOM 1505 CB ALA A 95 0.185 -10.521 14.830 1.00 1.14 C ATOM 0 H ALA A 95 -0.239 -12.683 13.842 1.00 1.17 H new ATOM 0 HA ALA A 95 0.915 -10.140 12.855 1.00 1.01 H new ATOM 0 HB1 ALA A 95 0.652 -9.619 15.226 1.00 1.14 H new ATOM 0 HB2 ALA A 95 -0.858 -10.314 14.589 1.00 1.14 H new ATOM 0 HB3 ALA A 95 0.234 -11.313 15.577 1.00 1.14 H new ATOM 1511 N GLY A 96 3.345 -10.605 13.232 1.00 1.12 N ATOM 1512 CA GLY A 96 4.785 -10.838 13.420 1.00 1.41 C ATOM 1513 C GLY A 96 5.494 -11.614 12.307 1.00 1.47 C ATOM 1514 O GLY A 96 6.670 -11.919 12.472 1.00 1.99 O ATOM 0 H GLY A 96 3.138 -9.825 12.608 1.00 1.12 H new ATOM 0 HA2 GLY A 96 5.277 -9.872 13.531 1.00 1.41 H new ATOM 0 HA3 GLY A 96 4.926 -11.377 14.357 1.00 1.41 H new ATOM 1518 N GLU A 97 4.823 -11.922 11.191 1.00 1.15 N ATOM 1519 CA GLU A 97 5.500 -12.246 9.927 1.00 1.20 C ATOM 1520 C GLU A 97 6.000 -10.963 9.241 1.00 1.08 C ATOM 1521 O GLU A 97 5.784 -9.845 9.711 1.00 1.01 O ATOM 1522 CB GLU A 97 4.526 -12.933 8.958 1.00 1.18 C ATOM 1523 CG GLU A 97 4.011 -14.309 9.385 1.00 1.49 C ATOM 1524 CD GLU A 97 2.819 -14.777 8.552 1.00 1.38 C ATOM 1525 OE1 GLU A 97 1.988 -13.933 8.162 1.00 2.85 O ATOM 1526 OE2 GLU A 97 2.650 -15.981 8.268 1.00 1.83 O ATOM 0 H GLU A 97 3.805 -11.954 11.137 1.00 1.15 H new ATOM 0 HA GLU A 97 6.336 -12.905 10.162 1.00 1.20 H new ATOM 0 HB2 GLU A 97 3.669 -12.276 8.810 1.00 1.18 H new ATOM 0 HB3 GLU A 97 5.019 -13.036 7.991 1.00 1.18 H new ATOM 0 HG2 GLU A 97 4.818 -15.037 9.299 1.00 1.49 H new ATOM 0 HG3 GLU A 97 3.724 -14.275 10.436 1.00 1.49 H new ATOM 1533 N GLU A 98 6.563 -11.139 8.056 1.00 1.12 N ATOM 1534 CA GLU A 98 6.885 -10.199 7.032 1.00 1.06 C ATOM 1535 C GLU A 98 6.133 -10.633 5.768 1.00 1.16 C ATOM 1536 O GLU A 98 5.559 -11.718 5.657 1.00 1.56 O ATOM 1537 CB GLU A 98 8.415 -10.191 6.805 1.00 1.30 C ATOM 1538 CG GLU A 98 9.017 -11.476 6.196 1.00 2.59 C ATOM 1539 CD GLU A 98 8.918 -12.696 7.118 1.00 3.39 C ATOM 1540 OE1 GLU A 98 7.847 -13.348 7.105 1.00 4.81 O ATOM 1541 OE2 GLU A 98 9.896 -12.941 7.856 1.00 3.72 O ATOM 0 H GLU A 98 6.835 -12.079 7.768 1.00 1.12 H new ATOM 0 HA GLU A 98 6.590 -9.186 7.306 1.00 1.06 H new ATOM 0 HB2 GLU A 98 8.661 -9.354 6.152 1.00 1.30 H new ATOM 0 HB3 GLU A 98 8.903 -10.003 7.761 1.00 1.30 H new ATOM 0 HG2 GLU A 98 8.507 -11.697 5.258 1.00 2.59 H new ATOM 0 HG3 GLU A 98 10.065 -11.297 5.955 1.00 2.59 H new ATOM 1548 N VAL A 99 6.178 -9.748 4.798 1.00 0.95 N ATOM 1549 CA VAL A 99 5.803 -9.954 3.393 1.00 0.92 C ATOM 1550 C VAL A 99 6.645 -9.025 2.511 1.00 0.75 C ATOM 1551 O VAL A 99 6.906 -7.877 2.884 1.00 0.80 O ATOM 1552 CB VAL A 99 4.298 -9.706 3.122 1.00 1.13 C ATOM 1553 CG1 VAL A 99 3.925 -10.137 1.700 1.00 1.19 C ATOM 1554 CG2 VAL A 99 3.351 -10.463 4.077 1.00 1.39 C ATOM 0 H VAL A 99 6.498 -8.795 4.969 1.00 0.95 H new ATOM 0 HA VAL A 99 5.996 -11.000 3.155 1.00 0.92 H new ATOM 0 HB VAL A 99 4.167 -8.635 3.277 1.00 1.13 H new ATOM 0 HG11 VAL A 99 2.864 -9.954 1.531 1.00 1.19 H new ATOM 0 HG12 VAL A 99 4.511 -9.565 0.981 1.00 1.19 H new ATOM 0 HG13 VAL A 99 4.135 -11.199 1.575 1.00 1.19 H new ATOM 0 HG21 VAL A 99 2.317 -10.235 3.820 1.00 1.39 H new ATOM 0 HG22 VAL A 99 3.520 -11.536 3.983 1.00 1.39 H new ATOM 0 HG23 VAL A 99 3.546 -10.154 5.104 1.00 1.39 H new ATOM 1564 N GLU A 100 7.061 -9.515 1.346 1.00 0.69 N ATOM 1565 CA GLU A 100 7.843 -8.778 0.353 1.00 0.65 C ATOM 1566 C GLU A 100 6.967 -8.397 -0.852 1.00 0.79 C ATOM 1567 O GLU A 100 6.301 -9.232 -1.462 1.00 1.14 O ATOM 1568 CB GLU A 100 9.114 -9.552 -0.061 1.00 0.85 C ATOM 1569 CG GLU A 100 9.151 -11.067 0.209 1.00 1.47 C ATOM 1570 CD GLU A 100 8.124 -11.835 -0.615 1.00 2.24 C ATOM 1571 OE1 GLU A 100 6.972 -11.961 -0.138 1.00 3.97 O ATOM 1572 OE2 GLU A 100 8.524 -12.291 -1.708 1.00 2.40 O ATOM 0 H GLU A 100 6.856 -10.471 1.056 1.00 0.69 H new ATOM 0 HA GLU A 100 8.188 -7.850 0.810 1.00 0.65 H new ATOM 0 HB2 GLU A 100 9.267 -9.398 -1.129 1.00 0.85 H new ATOM 0 HB3 GLU A 100 9.963 -9.100 0.451 1.00 0.85 H new ATOM 0 HG2 GLU A 100 10.148 -11.448 -0.014 1.00 1.47 H new ATOM 0 HG3 GLU A 100 8.970 -11.248 1.269 1.00 1.47 H new ATOM 1579 N LEU A 101 6.956 -7.102 -1.185 1.00 0.65 N ATOM 1580 CA LEU A 101 6.178 -6.544 -2.297 1.00 0.62 C ATOM 1581 C LEU A 101 7.088 -5.970 -3.387 1.00 0.62 C ATOM 1582 O LEU A 101 8.093 -5.307 -3.104 1.00 0.72 O ATOM 1583 CB LEU A 101 5.167 -5.487 -1.792 1.00 0.70 C ATOM 1584 CG LEU A 101 3.786 -6.064 -1.404 1.00 0.97 C ATOM 1585 CD1 LEU A 101 3.814 -6.943 -0.150 1.00 1.78 C ATOM 1586 CD2 LEU A 101 2.771 -4.942 -1.160 1.00 1.65 C ATOM 0 H LEU A 101 7.497 -6.400 -0.681 1.00 0.65 H new ATOM 0 HA LEU A 101 5.611 -7.360 -2.745 1.00 0.62 H new ATOM 0 HB2 LEU A 101 5.592 -4.979 -0.926 1.00 0.70 H new ATOM 0 HB3 LEU A 101 5.028 -4.734 -2.568 1.00 0.70 H new ATOM 0 HG LEU A 101 3.495 -6.684 -2.252 1.00 0.97 H new ATOM 0 HD11 LEU A 101 2.809 -7.311 0.059 1.00 1.78 H new ATOM 0 HD12 LEU A 101 4.483 -7.788 -0.313 1.00 1.78 H new ATOM 0 HD13 LEU A 101 4.169 -6.357 0.697 1.00 1.78 H new ATOM 0 HD21 LEU A 101 1.808 -5.375 -0.889 1.00 1.65 H new ATOM 0 HD22 LEU A 101 3.123 -4.303 -0.350 1.00 1.65 H new ATOM 0 HD23 LEU A 101 2.659 -4.349 -2.068 1.00 1.65 H new ATOM 1598 N ASP A 102 6.670 -6.201 -4.631 1.00 0.65 N ATOM 1599 CA ASP A 102 7.142 -5.602 -5.876 1.00 0.73 C ATOM 1600 C ASP A 102 6.390 -4.289 -6.114 1.00 0.70 C ATOM 1601 O ASP A 102 5.185 -4.229 -5.886 1.00 0.67 O ATOM 1602 CB ASP A 102 6.848 -6.563 -7.044 1.00 0.83 C ATOM 1603 CG ASP A 102 7.168 -8.029 -6.756 1.00 1.27 C ATOM 1604 OD1 ASP A 102 8.368 -8.377 -6.849 1.00 1.47 O ATOM 1605 OD2 ASP A 102 6.213 -8.801 -6.514 1.00 2.91 O ATOM 0 H ASP A 102 5.924 -6.874 -4.807 1.00 0.65 H new ATOM 0 HA ASP A 102 8.214 -5.414 -5.811 1.00 0.73 H new ATOM 0 HB2 ASP A 102 5.794 -6.480 -7.309 1.00 0.83 H new ATOM 0 HB3 ASP A 102 7.422 -6.243 -7.914 1.00 0.83 H new ATOM 1610 N LEU A 103 7.065 -3.238 -6.579 1.00 0.95 N ATOM 1611 CA LEU A 103 6.471 -1.934 -6.871 1.00 0.87 C ATOM 1612 C LEU A 103 6.650 -1.612 -8.357 1.00 0.84 C ATOM 1613 O LEU A 103 7.758 -1.718 -8.884 1.00 0.94 O ATOM 1614 CB LEU A 103 7.162 -0.866 -6.013 1.00 0.87 C ATOM 1615 CG LEU A 103 6.835 -0.913 -4.509 1.00 0.94 C ATOM 1616 CD1 LEU A 103 7.522 -2.044 -3.733 1.00 1.14 C ATOM 1617 CD2 LEU A 103 7.259 0.429 -3.896 1.00 1.08 C ATOM 0 H LEU A 103 8.067 -3.271 -6.768 1.00 0.95 H new ATOM 0 HA LEU A 103 5.406 -1.950 -6.639 1.00 0.87 H new ATOM 0 HB2 LEU A 103 8.240 -0.967 -6.136 1.00 0.87 H new ATOM 0 HB3 LEU A 103 6.888 0.117 -6.396 1.00 0.87 H new ATOM 0 HG LEU A 103 5.765 -1.104 -4.427 1.00 0.94 H new ATOM 0 HD11 LEU A 103 7.230 -1.995 -2.684 1.00 1.14 H new ATOM 0 HD12 LEU A 103 7.221 -3.006 -4.149 1.00 1.14 H new ATOM 0 HD13 LEU A 103 8.604 -1.936 -3.814 1.00 1.14 H new ATOM 0 HD21 LEU A 103 7.040 0.427 -2.828 1.00 1.08 H new ATOM 0 HD22 LEU A 103 8.329 0.576 -4.046 1.00 1.08 H new ATOM 0 HD23 LEU A 103 6.710 1.238 -4.377 1.00 1.08 H new ATOM 1629 N LEU A 104 5.564 -1.199 -9.021 1.00 0.74 N ATOM 1630 CA LEU A 104 5.495 -0.942 -10.459 1.00 0.76 C ATOM 1631 C LEU A 104 5.294 0.559 -10.717 1.00 0.80 C ATOM 1632 O LEU A 104 4.272 1.150 -10.341 1.00 0.72 O ATOM 1633 CB LEU A 104 4.341 -1.773 -11.059 1.00 0.72 C ATOM 1634 CG LEU A 104 4.362 -3.290 -10.752 1.00 0.71 C ATOM 1635 CD1 LEU A 104 3.124 -3.961 -11.361 1.00 0.79 C ATOM 1636 CD2 LEU A 104 5.634 -3.969 -11.282 1.00 0.88 C ATOM 0 H LEU A 104 4.675 -1.029 -8.550 1.00 0.74 H new ATOM 0 HA LEU A 104 6.429 -1.237 -10.938 1.00 0.76 H new ATOM 0 HB2 LEU A 104 3.398 -1.363 -10.696 1.00 0.72 H new ATOM 0 HB3 LEU A 104 4.351 -1.642 -12.141 1.00 0.72 H new ATOM 0 HG LEU A 104 4.353 -3.406 -9.668 1.00 0.71 H new ATOM 0 HD11 LEU A 104 3.144 -5.029 -11.142 1.00 0.79 H new ATOM 0 HD12 LEU A 104 2.224 -3.520 -10.934 1.00 0.79 H new ATOM 0 HD13 LEU A 104 3.124 -3.812 -12.441 1.00 0.79 H new ATOM 0 HD21 LEU A 104 5.605 -5.032 -11.044 1.00 0.88 H new ATOM 0 HD22 LEU A 104 5.691 -3.841 -12.363 1.00 0.88 H new ATOM 0 HD23 LEU A 104 6.509 -3.516 -10.816 1.00 0.88 H new ATOM 1648 N PHE A 105 6.268 1.189 -11.375 1.00 0.98 N ATOM 1649 CA PHE A 105 6.300 2.627 -11.626 1.00 1.04 C ATOM 1650 C PHE A 105 6.246 2.918 -13.132 1.00 1.05 C ATOM 1651 O PHE A 105 7.047 2.383 -13.898 1.00 1.07 O ATOM 1652 CB PHE A 105 7.594 3.197 -11.049 1.00 1.11 C ATOM 1653 CG PHE A 105 7.790 2.975 -9.564 1.00 1.04 C ATOM 1654 CD1 PHE A 105 7.279 3.911 -8.646 1.00 2.13 C ATOM 1655 CD2 PHE A 105 8.503 1.853 -9.095 1.00 1.89 C ATOM 1656 CE1 PHE A 105 7.541 3.767 -7.274 1.00 2.01 C ATOM 1657 CE2 PHE A 105 8.754 1.715 -7.724 1.00 2.01 C ATOM 1658 CZ PHE A 105 8.298 2.678 -6.816 1.00 1.03 C ATOM 0 H PHE A 105 7.077 0.699 -11.757 1.00 0.98 H new ATOM 0 HA PHE A 105 5.434 3.090 -11.153 1.00 1.04 H new ATOM 0 HB2 PHE A 105 8.436 2.754 -11.581 1.00 1.11 H new ATOM 0 HB3 PHE A 105 7.620 4.269 -11.247 1.00 1.11 H new ATOM 0 HD1 PHE A 105 6.684 4.741 -8.997 1.00 2.13 H new ATOM 0 HD2 PHE A 105 8.854 1.104 -9.789 1.00 1.89 H new ATOM 0 HE1 PHE A 105 7.160 4.494 -6.572 1.00 2.01 H new ATOM 0 HE2 PHE A 105 9.304 0.858 -7.364 1.00 2.01 H new ATOM 0 HZ PHE A 105 8.528 2.583 -5.765 1.00 1.03 H new ATOM 1668 N ALA A 106 5.385 3.852 -13.550 1.00 1.16 N ATOM 1669 CA ALA A 106 5.307 4.298 -14.950 1.00 1.16 C ATOM 1670 C ALA A 106 6.616 4.945 -15.450 1.00 1.73 C ATOM 1671 O ALA A 106 6.903 4.932 -16.644 1.00 2.46 O ATOM 1672 CB ALA A 106 4.121 5.263 -15.081 1.00 2.26 C ATOM 0 H ALA A 106 4.723 4.321 -12.931 1.00 1.16 H new ATOM 0 HA ALA A 106 5.157 3.425 -15.585 1.00 1.16 H new ATOM 0 HB1 ALA A 106 4.044 5.607 -16.112 1.00 2.26 H new ATOM 0 HB2 ALA A 106 3.201 4.750 -14.800 1.00 2.26 H new ATOM 0 HB3 ALA A 106 4.274 6.119 -14.424 1.00 2.26 H new ATOM 1678 N GLY A 107 7.430 5.471 -14.527 1.00 3.28 N ATOM 1679 CA GLY A 107 8.718 6.127 -14.796 1.00 4.84 C ATOM 1680 C GLY A 107 9.876 5.157 -15.053 1.00 4.55 C ATOM 1681 O GLY A 107 10.970 5.390 -14.539 1.00 5.53 O ATOM 0 H GLY A 107 7.202 5.451 -13.533 1.00 3.28 H new ATOM 0 HA2 GLY A 107 8.607 6.780 -15.662 1.00 4.84 H new ATOM 0 HA3 GLY A 107 8.973 6.763 -13.948 1.00 4.84 H new ATOM 1685 N GLY A 108 9.631 4.088 -15.821 1.00 3.42 N ATOM 1686 CA GLY A 108 10.650 3.163 -16.343 1.00 3.43 C ATOM 1687 C GLY A 108 11.281 2.222 -15.311 1.00 2.67 C ATOM 1688 O GLY A 108 12.418 1.799 -15.506 1.00 3.04 O ATOM 0 H GLY A 108 8.686 3.833 -16.107 1.00 3.42 H new ATOM 0 HA2 GLY A 108 10.198 2.559 -17.130 1.00 3.43 H new ATOM 0 HA3 GLY A 108 11.443 3.749 -16.807 1.00 3.43 H new ATOM 1692 N LYS A 109 10.603 1.935 -14.190 1.00 1.72 N ATOM 1693 CA LYS A 109 11.207 1.284 -13.016 1.00 1.23 C ATOM 1694 C LYS A 109 10.323 0.166 -12.426 1.00 1.07 C ATOM 1695 O LYS A 109 9.103 0.300 -12.336 1.00 1.17 O ATOM 1696 CB LYS A 109 11.491 2.355 -11.935 1.00 1.10 C ATOM 1697 CG LYS A 109 12.572 3.384 -12.316 1.00 1.68 C ATOM 1698 CD LYS A 109 12.331 4.738 -11.620 1.00 2.01 C ATOM 1699 CE LYS A 109 13.255 5.836 -12.171 1.00 2.68 C ATOM 1700 NZ LYS A 109 12.958 7.175 -11.590 1.00 3.94 N ATOM 0 H LYS A 109 9.613 2.149 -14.071 1.00 1.72 H new ATOM 0 HA LYS A 109 12.132 0.810 -13.344 1.00 1.23 H new ATOM 0 HB2 LYS A 109 10.564 2.886 -11.717 1.00 1.10 H new ATOM 0 HB3 LYS A 109 11.795 1.853 -11.016 1.00 1.10 H new ATOM 0 HG2 LYS A 109 13.554 3.001 -12.040 1.00 1.68 H new ATOM 0 HG3 LYS A 109 12.577 3.525 -13.397 1.00 1.68 H new ATOM 0 HD2 LYS A 109 11.291 5.036 -11.755 1.00 2.01 H new ATOM 0 HD3 LYS A 109 12.495 4.630 -10.548 1.00 2.01 H new ATOM 0 HE2 LYS A 109 14.292 5.574 -11.960 1.00 2.68 H new ATOM 0 HE3 LYS A 109 13.152 5.883 -13.255 1.00 2.68 H new ATOM 0 HZ1 LYS A 109 13.524 7.898 -12.078 1.00 3.94 H new ATOM 0 HZ2 LYS A 109 11.947 7.389 -11.709 1.00 3.94 H new ATOM 0 HZ3 LYS A 109 13.195 7.174 -10.577 1.00 3.94 H new ATOM 1714 N VAL A 110 10.974 -0.880 -11.916 1.00 1.08 N ATOM 1715 CA VAL A 110 10.407 -1.873 -10.988 1.00 1.08 C ATOM 1716 C VAL A 110 11.366 -1.995 -9.803 1.00 1.01 C ATOM 1717 O VAL A 110 12.581 -1.916 -9.985 1.00 1.05 O ATOM 1718 CB VAL A 110 10.156 -3.258 -11.641 1.00 1.25 C ATOM 1719 CG1 VAL A 110 9.636 -4.316 -10.642 1.00 1.64 C ATOM 1720 CG2 VAL A 110 9.150 -3.137 -12.798 1.00 2.65 C ATOM 0 H VAL A 110 11.950 -1.071 -12.144 1.00 1.08 H new ATOM 0 HA VAL A 110 9.424 -1.528 -10.669 1.00 1.08 H new ATOM 0 HB VAL A 110 11.126 -3.593 -12.010 1.00 1.25 H new ATOM 0 HG11 VAL A 110 9.481 -5.262 -11.161 1.00 1.64 H new ATOM 0 HG12 VAL A 110 10.367 -4.455 -9.846 1.00 1.64 H new ATOM 0 HG13 VAL A 110 8.693 -3.979 -10.213 1.00 1.64 H new ATOM 0 HG21 VAL A 110 8.987 -4.119 -13.243 1.00 2.65 H new ATOM 0 HG22 VAL A 110 8.204 -2.749 -12.419 1.00 2.65 H new ATOM 0 HG23 VAL A 110 9.544 -2.457 -13.553 1.00 2.65 H new ATOM 1730 N LEU A 111 10.810 -2.147 -8.602 1.00 0.98 N ATOM 1731 CA LEU A 111 11.525 -2.174 -7.322 1.00 0.96 C ATOM 1732 C LEU A 111 10.903 -3.241 -6.404 1.00 1.01 C ATOM 1733 O LEU A 111 9.855 -3.793 -6.728 1.00 1.78 O ATOM 1734 CB LEU A 111 11.413 -0.756 -6.727 1.00 1.08 C ATOM 1735 CG LEU A 111 12.406 -0.403 -5.599 1.00 1.15 C ATOM 1736 CD1 LEU A 111 13.307 0.763 -6.030 1.00 2.09 C ATOM 1737 CD2 LEU A 111 11.638 -0.014 -4.327 1.00 1.99 C ATOM 0 H LEU A 111 9.803 -2.260 -8.487 1.00 0.98 H new ATOM 0 HA LEU A 111 12.575 -2.440 -7.441 1.00 0.96 H new ATOM 0 HB2 LEU A 111 11.544 -0.036 -7.535 1.00 1.08 H new ATOM 0 HB3 LEU A 111 10.401 -0.625 -6.344 1.00 1.08 H new ATOM 0 HG LEU A 111 13.026 -1.276 -5.395 1.00 1.15 H new ATOM 0 HD11 LEU A 111 14.003 1.002 -5.226 1.00 2.09 H new ATOM 0 HD12 LEU A 111 13.867 0.480 -6.922 1.00 2.09 H new ATOM 0 HD13 LEU A 111 12.692 1.636 -6.249 1.00 2.09 H new ATOM 0 HD21 LEU A 111 12.346 0.234 -3.536 1.00 1.99 H new ATOM 0 HD22 LEU A 111 11.007 0.851 -4.533 1.00 1.99 H new ATOM 0 HD23 LEU A 111 11.015 -0.850 -4.008 1.00 1.99 H new ATOM 1749 N LYS A 112 11.516 -3.528 -5.254 1.00 0.95 N ATOM 1750 CA LYS A 112 10.902 -4.313 -4.172 1.00 1.02 C ATOM 1751 C LYS A 112 11.101 -3.626 -2.810 1.00 1.29 C ATOM 1752 O LYS A 112 12.118 -2.962 -2.610 1.00 1.71 O ATOM 1753 CB LYS A 112 11.483 -5.743 -4.104 1.00 1.15 C ATOM 1754 CG LYS A 112 11.014 -6.692 -5.218 1.00 2.10 C ATOM 1755 CD LYS A 112 11.941 -6.716 -6.444 1.00 3.52 C ATOM 1756 CE LYS A 112 11.327 -7.483 -7.624 1.00 4.39 C ATOM 1757 NZ LYS A 112 10.916 -8.859 -7.255 1.00 4.19 N ATOM 0 H LYS A 112 12.465 -3.220 -5.042 1.00 0.95 H new ATOM 0 HA LYS A 112 9.837 -4.376 -4.396 1.00 1.02 H new ATOM 0 HB2 LYS A 112 12.571 -5.678 -4.137 1.00 1.15 H new ATOM 0 HB3 LYS A 112 11.219 -6.180 -3.141 1.00 1.15 H new ATOM 0 HG2 LYS A 112 10.936 -7.701 -4.814 1.00 2.10 H new ATOM 0 HG3 LYS A 112 10.014 -6.398 -5.536 1.00 2.10 H new ATOM 0 HD2 LYS A 112 12.159 -5.693 -6.752 1.00 3.52 H new ATOM 0 HD3 LYS A 112 12.891 -7.175 -6.170 1.00 3.52 H new ATOM 0 HE2 LYS A 112 10.461 -6.936 -7.997 1.00 4.39 H new ATOM 0 HE3 LYS A 112 12.050 -7.529 -8.439 1.00 4.39 H new ATOM 0 HZ1 LYS A 112 10.831 -9.438 -8.115 1.00 4.19 H new ATOM 0 HZ2 LYS A 112 11.630 -9.277 -6.625 1.00 4.19 H new ATOM 0 HZ3 LYS A 112 9.998 -8.828 -6.766 1.00 4.19 H new ATOM 1771 N VAL A 113 10.181 -3.824 -1.862 1.00 1.12 N ATOM 1772 CA VAL A 113 10.349 -3.437 -0.444 1.00 1.23 C ATOM 1773 C VAL A 113 9.837 -4.576 0.449 1.00 1.13 C ATOM 1774 O VAL A 113 9.039 -5.401 0.012 1.00 1.09 O ATOM 1775 CB VAL A 113 9.648 -2.098 -0.090 1.00 1.36 C ATOM 1776 CG1 VAL A 113 10.066 -1.562 1.293 1.00 1.75 C ATOM 1777 CG2 VAL A 113 9.929 -0.973 -1.103 1.00 2.10 C ATOM 0 H VAL A 113 9.281 -4.264 -2.053 1.00 1.12 H new ATOM 0 HA VAL A 113 11.412 -3.270 -0.268 1.00 1.23 H new ATOM 0 HB VAL A 113 8.588 -2.351 -0.103 1.00 1.36 H new ATOM 0 HG11 VAL A 113 9.547 -0.624 1.492 1.00 1.75 H new ATOM 0 HG12 VAL A 113 9.804 -2.291 2.060 1.00 1.75 H new ATOM 0 HG13 VAL A 113 11.142 -1.391 1.307 1.00 1.75 H new ATOM 0 HG21 VAL A 113 9.408 -0.067 -0.794 1.00 2.10 H new ATOM 0 HG22 VAL A 113 11.001 -0.780 -1.144 1.00 2.10 H new ATOM 0 HG23 VAL A 113 9.577 -1.275 -2.089 1.00 2.10 H new ATOM 1787 N VAL A 114 10.312 -4.613 1.692 1.00 1.18 N ATOM 1788 CA VAL A 114 10.050 -5.670 2.681 1.00 1.07 C ATOM 1789 C VAL A 114 9.371 -5.033 3.895 1.00 0.98 C ATOM 1790 O VAL A 114 9.918 -4.107 4.491 1.00 1.02 O ATOM 1791 CB VAL A 114 11.352 -6.389 3.108 1.00 1.34 C ATOM 1792 CG1 VAL A 114 11.053 -7.535 4.092 1.00 1.40 C ATOM 1793 CG2 VAL A 114 12.118 -6.957 1.897 1.00 2.34 C ATOM 0 H VAL A 114 10.917 -3.878 2.059 1.00 1.18 H new ATOM 0 HA VAL A 114 9.402 -6.424 2.234 1.00 1.07 H new ATOM 0 HB VAL A 114 11.975 -5.640 3.597 1.00 1.34 H new ATOM 0 HG11 VAL A 114 11.985 -8.023 4.376 1.00 1.40 H new ATOM 0 HG12 VAL A 114 10.568 -7.133 4.982 1.00 1.40 H new ATOM 0 HG13 VAL A 114 10.394 -8.261 3.616 1.00 1.40 H new ATOM 0 HG21 VAL A 114 13.025 -7.453 2.241 1.00 2.34 H new ATOM 0 HG22 VAL A 114 11.488 -7.675 1.372 1.00 2.34 H new ATOM 0 HG23 VAL A 114 12.383 -6.145 1.220 1.00 2.34 H new ATOM 1803 N LEU A 115 8.162 -5.505 4.213 1.00 1.04 N ATOM 1804 CA LEU A 115 7.232 -4.942 5.194 1.00 1.07 C ATOM 1805 C LEU A 115 6.890 -6.015 6.247 1.00 0.97 C ATOM 1806 O LEU A 115 6.779 -7.189 5.878 1.00 0.96 O ATOM 1807 CB LEU A 115 5.934 -4.532 4.471 1.00 1.08 C ATOM 1808 CG LEU A 115 6.032 -3.442 3.383 1.00 1.51 C ATOM 1809 CD1 LEU A 115 6.962 -2.278 3.770 1.00 2.91 C ATOM 1810 CD2 LEU A 115 6.413 -4.026 2.010 1.00 1.93 C ATOM 0 H LEU A 115 7.785 -6.340 3.765 1.00 1.04 H new ATOM 0 HA LEU A 115 7.687 -4.078 5.678 1.00 1.07 H new ATOM 0 HB2 LEU A 115 5.509 -5.425 4.013 1.00 1.08 H new ATOM 0 HB3 LEU A 115 5.224 -4.191 5.224 1.00 1.08 H new ATOM 0 HG LEU A 115 5.029 -3.023 3.301 1.00 1.51 H new ATOM 0 HD11 LEU A 115 6.986 -1.547 2.962 1.00 2.91 H new ATOM 0 HD12 LEU A 115 6.591 -1.803 4.678 1.00 2.91 H new ATOM 0 HD13 LEU A 115 7.968 -2.659 3.944 1.00 2.91 H new ATOM 0 HD21 LEU A 115 6.470 -3.222 1.276 1.00 1.93 H new ATOM 0 HD22 LEU A 115 7.381 -4.522 2.081 1.00 1.93 H new ATOM 0 HD23 LEU A 115 5.658 -4.748 1.699 1.00 1.93 H new ATOM 1822 N PRO A 116 6.684 -5.650 7.526 1.00 1.03 N ATOM 1823 CA PRO A 116 6.175 -6.564 8.547 1.00 0.98 C ATOM 1824 C PRO A 116 4.667 -6.797 8.368 1.00 0.84 C ATOM 1825 O PRO A 116 3.990 -6.012 7.706 1.00 0.85 O ATOM 1826 CB PRO A 116 6.477 -5.864 9.877 1.00 1.14 C ATOM 1827 CG PRO A 116 6.359 -4.384 9.515 1.00 1.26 C ATOM 1828 CD PRO A 116 6.890 -4.320 8.086 1.00 1.31 C ATOM 0 HA PRO A 116 6.637 -7.550 8.491 1.00 0.98 H new ATOM 0 HB2 PRO A 116 5.767 -6.148 10.654 1.00 1.14 H new ATOM 0 HB3 PRO A 116 7.472 -6.112 10.248 1.00 1.14 H new ATOM 0 HG2 PRO A 116 5.327 -4.038 9.575 1.00 1.26 H new ATOM 0 HG3 PRO A 116 6.945 -3.759 10.189 1.00 1.26 H new ATOM 0 HD2 PRO A 116 6.360 -3.565 7.505 1.00 1.31 H new ATOM 0 HD3 PRO A 116 7.946 -4.049 8.073 1.00 1.31 H new ATOM 1836 N VAL A 117 4.112 -7.834 8.996 1.00 0.83 N ATOM 1837 CA VAL A 117 2.668 -7.954 9.264 1.00 0.81 C ATOM 1838 C VAL A 117 2.412 -7.572 10.728 1.00 0.93 C ATOM 1839 O VAL A 117 2.925 -8.218 11.643 1.00 0.93 O ATOM 1840 CB VAL A 117 2.113 -9.374 8.999 1.00 0.79 C ATOM 1841 CG1 VAL A 117 0.573 -9.332 8.953 1.00 0.87 C ATOM 1842 CG2 VAL A 117 2.607 -9.979 7.678 1.00 0.76 C ATOM 0 H VAL A 117 4.654 -8.627 9.339 1.00 0.83 H new ATOM 0 HA VAL A 117 2.149 -7.284 8.578 1.00 0.81 H new ATOM 0 HB VAL A 117 2.475 -9.999 9.816 1.00 0.79 H new ATOM 0 HG11 VAL A 117 0.187 -10.334 8.766 1.00 0.87 H new ATOM 0 HG12 VAL A 117 0.190 -8.968 9.906 1.00 0.87 H new ATOM 0 HG13 VAL A 117 0.251 -8.664 8.154 1.00 0.87 H new ATOM 0 HG21 VAL A 117 2.182 -10.975 7.552 1.00 0.76 H new ATOM 0 HG22 VAL A 117 2.296 -9.344 6.848 1.00 0.76 H new ATOM 0 HG23 VAL A 117 3.695 -10.049 7.694 1.00 0.76 H new ATOM 1852 N GLU A 118 1.604 -6.538 10.951 1.00 1.13 N ATOM 1853 CA GLU A 118 1.216 -6.038 12.275 1.00 1.26 C ATOM 1854 C GLU A 118 -0.317 -5.925 12.259 1.00 1.37 C ATOM 1855 O GLU A 118 -0.902 -5.542 11.248 1.00 1.85 O ATOM 1856 CB GLU A 118 1.908 -4.691 12.612 1.00 1.50 C ATOM 1857 CG GLU A 118 3.450 -4.724 12.506 1.00 2.14 C ATOM 1858 CD GLU A 118 4.134 -3.361 12.723 1.00 3.38 C ATOM 1859 OE1 GLU A 118 3.998 -2.783 13.822 1.00 3.62 O ATOM 1860 OE2 GLU A 118 4.854 -2.904 11.800 1.00 4.74 O ATOM 0 H GLU A 118 1.185 -6.004 10.190 1.00 1.13 H new ATOM 0 HA GLU A 118 1.541 -6.718 13.062 1.00 1.26 H new ATOM 0 HB2 GLU A 118 1.526 -3.922 11.941 1.00 1.50 H new ATOM 0 HB3 GLU A 118 1.631 -4.397 13.624 1.00 1.50 H new ATOM 0 HG2 GLU A 118 3.837 -5.431 13.239 1.00 2.14 H new ATOM 0 HG3 GLU A 118 3.726 -5.102 11.522 1.00 2.14 H new