USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 117 GLN : amide:sc= 0.163 X(o=0.16,f=-0.086) USER MOD Set 2.1: A 8 CYS SG : rot 55:sc= -5.45! USER MOD Set 2.2: A 34 CYS SG : rot 134:sc= -2.65! USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : A 18 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.4!) USER MOD Single : A 20 CYS SG : rot 80:sc= 0.17 USER MOD Single : A 21 GLN : amide:sc= -6! C(o=-6!,f=-4.4!) USER MOD Single : A 25 SER OG : rot 24:sc= 1.02 USER MOD Single : A 29 TYR OH : rot 70:sc= -0.624 USER MOD Single : A 30 GLN : amide:sc= -0.81 K(o=-0.81,f=-0.0082) USER MOD Single : A 32 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.36) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 45 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.5!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -5.89! C(o=-5.9!,f=-3.9!) USER MOD Single : A 50 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.5) USER MOD Single : A 53 CYS SG : rot -20:sc= -2.03! USER MOD Single : A 60 ASN : amide:sc= -0.16 X(o=-0.16,f=0.086) USER MOD Single : A 62 SER OG : rot -96:sc= 0.202 USER MOD Single : A 68 GLN : amide:sc= -2.53! C(o=-2.5!,f=-5.8!) USER MOD Single : A 69 GLN : amide:sc= -2.76! C(o=-2.8!,f=-7.8!) USER MOD Single : A 71 CYS SG : rot 22:sc= -5.38! USER MOD Single : A 99 TYR OH : rot 2:sc= 0.794 USER MOD Single : A 100 HIS : no HD1:sc= -15.4! C(o=-15!,f=-25!) USER MOD Single : A 101 SER OG : rot -170:sc= -3.54! USER MOD Single : A 105 HIS : no HD1:sc= -2.85! K(o=-2.8!,f=-1.2) USER MOD Single : A 109 HIS : no HD1:sc= -0.495 X(o=-0.5,f=-0.16) USER MOD Single : A 110 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.053) USER MOD Single : A 113 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.3) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 134 MET CE :methyl -160:sc= -0.0818 (180deg=-0.643) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.566 3.938 15.815 1.00 0.00 N ATOM 51 CA GLN A 4 4.344 3.812 14.550 1.00 0.00 C ATOM 52 C GLN A 4 3.418 3.595 13.350 1.00 0.00 C ATOM 53 O GLN A 4 2.224 3.415 13.491 1.00 0.00 O ATOM 54 CB GLN A 4 5.245 2.597 14.773 1.00 0.00 C ATOM 55 CG GLN A 4 5.985 2.759 16.103 1.00 0.00 C ATOM 56 CD GLN A 4 7.072 1.689 16.225 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.957 0.621 15.659 1.00 0.00 O ATOM 58 NE2 GLN A 4 8.130 1.933 16.952 1.00 0.00 N ATOM 0 HA GLN A 4 4.913 4.714 14.327 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.649 1.684 14.783 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.959 2.503 13.955 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.431 3.752 16.163 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.283 2.674 16.933 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.226 2.830 17.427 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.860 1.226 17.044 1.00 0.00 H new ATOM 67 N ILE A 5 3.969 3.619 12.167 1.00 0.00 N ATOM 68 CA ILE A 5 3.147 3.424 10.937 1.00 0.00 C ATOM 69 C ILE A 5 3.262 1.978 10.454 1.00 0.00 C ATOM 70 O ILE A 5 4.329 1.399 10.465 1.00 0.00 O ATOM 71 CB ILE A 5 3.779 4.371 9.915 1.00 0.00 C ATOM 72 CG1 ILE A 5 3.739 5.804 10.451 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.018 4.292 8.592 1.00 0.00 C ATOM 74 CD1 ILE A 5 4.619 6.698 9.577 1.00 0.00 C ATOM 0 H ILE A 5 4.964 3.767 11.998 1.00 0.00 H new ATOM 0 HA ILE A 5 2.088 3.624 11.100 1.00 0.00 H new ATOM 0 HB ILE A 5 4.815 4.077 9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.714 6.175 10.453 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.089 5.828 11.483 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.474 4.969 7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.058 3.272 8.209 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.979 4.579 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 5 4.592 7.719 9.957 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.645 6.330 9.598 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.249 6.683 8.552 1.00 0.00 H new ATOM 86 N ALA A 6 2.182 1.381 10.028 1.00 0.00 N ATOM 87 CA ALA A 6 2.261 -0.024 9.550 1.00 0.00 C ATOM 88 C ALA A 6 2.293 -0.056 8.025 1.00 0.00 C ATOM 89 O ALA A 6 1.320 0.234 7.364 1.00 0.00 O ATOM 90 CB ALA A 6 0.996 -0.693 10.068 1.00 0.00 C ATOM 0 H ALA A 6 1.255 1.804 9.991 1.00 0.00 H new ATOM 0 HA ALA A 6 3.161 -0.529 9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.982 -1.737 9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.976 -0.641 11.157 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.122 -0.181 9.664 1.00 0.00 H new ATOM 96 N ILE A 7 3.407 -0.410 7.466 1.00 0.00 N ATOM 97 CA ILE A 7 3.508 -0.467 5.983 1.00 0.00 C ATOM 98 C ILE A 7 3.768 -1.907 5.544 1.00 0.00 C ATOM 99 O ILE A 7 4.815 -2.466 5.795 1.00 0.00 O ATOM 100 CB ILE A 7 4.685 0.448 5.638 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.369 1.862 6.126 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.909 0.473 4.125 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.590 2.762 5.932 1.00 0.00 C ATOM 0 H ILE A 7 4.257 -0.664 7.970 1.00 0.00 H new ATOM 0 HA ILE A 7 2.597 -0.147 5.477 1.00 0.00 H new ATOM 0 HB ILE A 7 5.588 0.074 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.518 2.265 5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.087 1.839 7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.749 1.127 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.126 -0.535 3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.012 0.845 3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.359 3.768 6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.430 2.364 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.852 2.796 4.875 1.00 0.00 H new ATOM 115 N CYS A 8 2.819 -2.517 4.894 1.00 0.00 N ATOM 116 CA CYS A 8 3.013 -3.920 4.448 1.00 0.00 C ATOM 117 C CYS A 8 3.577 -3.931 3.035 1.00 0.00 C ATOM 118 O CYS A 8 2.923 -3.529 2.094 1.00 0.00 O ATOM 119 CB CYS A 8 1.618 -4.542 4.479 1.00 0.00 C ATOM 120 SG CYS A 8 1.683 -6.208 3.773 1.00 0.00 S ATOM 0 H CYS A 8 1.918 -2.104 4.653 1.00 0.00 H new ATOM 0 HA CYS A 8 3.711 -4.470 5.079 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.250 -4.584 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.920 -3.924 3.915 1.00 0.00 H new ATOM 0 HG CYS A 8 2.572 -6.914 4.407 1.00 0.00 H new ATOM 126 N ILE A 9 4.786 -4.374 2.873 1.00 0.00 N ATOM 127 CA ILE A 9 5.374 -4.387 1.511 1.00 0.00 C ATOM 128 C ILE A 9 5.343 -5.798 0.935 1.00 0.00 C ATOM 129 O ILE A 9 5.493 -6.777 1.639 1.00 0.00 O ATOM 130 CB ILE A 9 6.814 -3.904 1.695 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.523 -3.802 0.323 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.553 -4.873 2.613 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.335 -5.068 0.019 1.00 0.00 C ATOM 0 H ILE A 9 5.389 -4.725 3.617 1.00 0.00 H new ATOM 0 HA ILE A 9 4.822 -3.754 0.816 1.00 0.00 H new ATOM 0 HB ILE A 9 6.813 -2.913 2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.782 -3.646 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.182 -2.934 0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.580 -4.534 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.053 -4.910 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.555 -5.867 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.821 -4.965 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.092 -5.209 0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.670 -5.931 0.002 1.00 0.00 H new ATOM 145 N TRP A 10 5.167 -5.899 -0.348 1.00 0.00 N ATOM 146 CA TRP A 10 5.154 -7.237 -0.997 1.00 0.00 C ATOM 147 C TRP A 10 6.207 -7.251 -2.089 1.00 0.00 C ATOM 148 O TRP A 10 6.182 -6.452 -3.006 1.00 0.00 O ATOM 149 CB TRP A 10 3.761 -7.431 -1.593 1.00 0.00 C ATOM 150 CG TRP A 10 3.774 -8.679 -2.420 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.592 -9.736 -2.207 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.961 -9.019 -3.582 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.339 -10.700 -3.164 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.340 -10.307 -4.034 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.945 -8.343 -4.280 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.731 -10.901 -5.140 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.331 -8.940 -5.394 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.724 -10.217 -5.823 1.00 0.00 C ATOM 0 H TRP A 10 5.031 -5.110 -0.980 1.00 0.00 H new ATOM 0 HA TRP A 10 5.373 -8.038 -0.291 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.016 -7.508 -0.801 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.487 -6.572 -2.206 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.324 -9.813 -1.417 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.830 -11.592 -3.221 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.635 -7.360 -3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.037 -11.884 -5.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.551 -8.413 -5.924 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.248 -10.670 -6.680 1.00 0.00 H new ATOM 169 N VAL A 11 7.152 -8.129 -1.987 1.00 0.00 N ATOM 170 CA VAL A 11 8.224 -8.170 -3.004 1.00 0.00 C ATOM 171 C VAL A 11 9.002 -9.482 -2.873 1.00 0.00 C ATOM 172 O VAL A 11 9.499 -9.818 -1.817 1.00 0.00 O ATOM 173 CB VAL A 11 9.084 -6.952 -2.663 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.703 -7.134 -1.278 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.189 -6.782 -3.707 1.00 0.00 C ATOM 0 H VAL A 11 7.229 -8.822 -1.242 1.00 0.00 H new ATOM 0 HA VAL A 11 7.867 -8.136 -4.033 1.00 0.00 H new ATOM 0 HB VAL A 11 8.457 -6.060 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.316 -6.265 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.911 -7.237 -0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.325 -8.029 -1.272 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.796 -5.912 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.818 -7.672 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.741 -6.640 -4.691 1.00 0.00 H new ATOM 185 N GLU A 12 9.093 -10.232 -3.934 1.00 0.00 N ATOM 186 CA GLU A 12 9.822 -11.536 -3.868 1.00 0.00 C ATOM 187 C GLU A 12 11.331 -11.319 -3.999 1.00 0.00 C ATOM 188 O GLU A 12 12.098 -12.256 -4.086 1.00 0.00 O ATOM 189 CB GLU A 12 9.281 -12.352 -5.041 1.00 0.00 C ATOM 190 CG GLU A 12 7.964 -13.019 -4.636 1.00 0.00 C ATOM 191 CD GLU A 12 7.450 -13.881 -5.791 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.794 -13.584 -6.925 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.723 -14.825 -5.524 1.00 0.00 O ATOM 0 H GLU A 12 8.696 -10.002 -4.845 1.00 0.00 H new ATOM 0 HA GLU A 12 9.669 -12.045 -2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.123 -11.706 -5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.008 -13.108 -5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.114 -13.634 -3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.225 -12.261 -4.378 1.00 0.00 H new ATOM 200 N SER A 13 11.759 -10.089 -4.001 1.00 0.00 N ATOM 201 CA SER A 13 13.218 -9.800 -4.111 1.00 0.00 C ATOM 202 C SER A 13 13.705 -9.153 -2.810 1.00 0.00 C ATOM 203 O SER A 13 13.032 -8.321 -2.237 1.00 0.00 O ATOM 204 CB SER A 13 13.336 -8.821 -5.276 1.00 0.00 C ATOM 205 OG SER A 13 14.618 -8.957 -5.875 1.00 0.00 O ATOM 0 H SER A 13 11.160 -9.266 -3.931 1.00 0.00 H new ATOM 0 HA SER A 13 13.818 -10.695 -4.275 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.556 -9.017 -6.011 1.00 0.00 H new ATOM 0 HB3 SER A 13 13.193 -7.799 -4.924 1.00 0.00 H new ATOM 0 HG SER A 13 14.697 -8.331 -6.625 1.00 0.00 H new ATOM 211 N THR A 14 14.857 -9.533 -2.327 1.00 0.00 N ATOM 212 CA THR A 14 15.352 -8.933 -1.053 1.00 0.00 C ATOM 213 C THR A 14 15.891 -7.524 -1.296 1.00 0.00 C ATOM 214 O THR A 14 15.612 -6.606 -0.551 1.00 0.00 O ATOM 215 CB THR A 14 16.473 -9.854 -0.579 1.00 0.00 C ATOM 216 OG1 THR A 14 16.279 -11.152 -1.121 1.00 0.00 O ATOM 217 CG2 THR A 14 16.457 -9.924 0.948 1.00 0.00 C ATOM 0 H THR A 14 15.472 -10.226 -2.754 1.00 0.00 H new ATOM 0 HA THR A 14 14.556 -8.845 -0.314 1.00 0.00 H new ATOM 0 HB THR A 14 17.435 -9.465 -0.914 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.999 -11.744 -0.819 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.256 -10.581 1.291 1.00 0.00 H new ATOM 0 HG22 THR A 14 16.606 -8.926 1.360 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.497 -10.315 1.284 1.00 0.00 H new ATOM 225 N ALA A 15 16.665 -7.340 -2.330 1.00 0.00 N ATOM 226 CA ALA A 15 17.215 -5.984 -2.604 1.00 0.00 C ATOM 227 C ALA A 15 16.070 -4.974 -2.669 1.00 0.00 C ATOM 228 O ALA A 15 16.117 -3.929 -2.053 1.00 0.00 O ATOM 229 CB ALA A 15 17.914 -6.096 -3.958 1.00 0.00 C ATOM 0 H ALA A 15 16.939 -8.065 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 15 17.903 -5.647 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.345 -5.131 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.706 -6.843 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.191 -6.394 -4.717 1.00 0.00 H new ATOM 235 N ILE A 16 15.028 -5.293 -3.387 1.00 0.00 N ATOM 236 CA ILE A 16 13.868 -4.365 -3.461 1.00 0.00 C ATOM 237 C ILE A 16 13.225 -4.286 -2.081 1.00 0.00 C ATOM 238 O ILE A 16 12.924 -3.223 -1.574 1.00 0.00 O ATOM 239 CB ILE A 16 12.913 -5.002 -4.463 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.530 -4.934 -5.860 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.580 -4.253 -4.454 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.736 -5.828 -6.811 1.00 0.00 C ATOM 0 H ILE A 16 14.931 -6.155 -3.924 1.00 0.00 H new ATOM 0 HA ILE A 16 14.142 -3.355 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 16 12.740 -6.043 -4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.526 -3.906 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.571 -5.255 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.900 -4.712 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.142 -4.302 -3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.746 -3.211 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 16 13.175 -5.780 -7.807 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.763 -6.857 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.702 -5.486 -6.854 1.00 0.00 H new ATOM 254 N LEU A 17 13.039 -5.418 -1.458 1.00 0.00 N ATOM 255 CA LEU A 17 12.445 -5.438 -0.097 1.00 0.00 C ATOM 256 C LEU A 17 13.300 -4.580 0.829 1.00 0.00 C ATOM 257 O LEU A 17 12.804 -3.765 1.581 1.00 0.00 O ATOM 258 CB LEU A 17 12.500 -6.911 0.323 1.00 0.00 C ATOM 259 CG LEU A 17 12.386 -7.046 1.844 1.00 0.00 C ATOM 260 CD1 LEU A 17 13.759 -6.811 2.475 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.386 -6.023 2.394 1.00 0.00 C ATOM 0 H LEU A 17 13.276 -6.334 -1.839 1.00 0.00 H new ATOM 0 HA LEU A 17 11.429 -5.046 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.691 -7.461 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.435 -7.356 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 17 12.034 -8.048 2.088 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.683 -6.906 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.465 -7.549 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.109 -5.810 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.314 -6.130 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.725 -5.016 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.407 -6.195 1.947 1.00 0.00 H new ATOM 273 N GLN A 18 14.591 -4.746 0.759 1.00 0.00 N ATOM 274 CA GLN A 18 15.488 -3.923 1.618 1.00 0.00 C ATOM 275 C GLN A 18 15.414 -2.466 1.169 1.00 0.00 C ATOM 276 O GLN A 18 15.336 -1.558 1.972 1.00 0.00 O ATOM 277 CB GLN A 18 16.897 -4.478 1.399 1.00 0.00 C ATOM 278 CG GLN A 18 17.067 -5.799 2.156 1.00 0.00 C ATOM 279 CD GLN A 18 18.501 -6.306 1.976 1.00 0.00 C ATOM 280 OE1 GLN A 18 19.408 -5.526 1.755 1.00 0.00 O ATOM 281 NE2 GLN A 18 18.747 -7.585 2.052 1.00 0.00 N ATOM 0 H GLN A 18 15.062 -5.412 0.147 1.00 0.00 H new ATOM 0 HA GLN A 18 15.207 -3.964 2.670 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.073 -4.635 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.638 -3.756 1.742 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.850 -5.655 3.215 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.358 -6.539 1.783 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.988 -8.240 2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.699 -7.930 1.926 1.00 0.00 H new ATOM 290 N ASP A 19 15.428 -2.238 -0.116 1.00 0.00 N ATOM 291 CA ASP A 19 15.350 -0.844 -0.626 1.00 0.00 C ATOM 292 C ASP A 19 14.042 -0.197 -0.170 1.00 0.00 C ATOM 293 O ASP A 19 14.027 0.912 0.324 1.00 0.00 O ATOM 294 CB ASP A 19 15.392 -0.979 -2.147 1.00 0.00 C ATOM 295 CG ASP A 19 16.785 -1.449 -2.568 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.604 -1.665 -1.689 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.009 -1.580 -3.758 1.00 0.00 O ATOM 0 H ASP A 19 15.490 -2.960 -0.834 1.00 0.00 H new ATOM 0 HA ASP A 19 16.159 -0.215 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.637 -1.690 -2.483 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.160 -0.023 -2.616 1.00 0.00 H new ATOM 302 N CYS A 20 12.942 -0.890 -0.310 1.00 0.00 N ATOM 303 CA CYS A 20 11.647 -0.308 0.146 1.00 0.00 C ATOM 304 C CYS A 20 11.714 -0.069 1.655 1.00 0.00 C ATOM 305 O CYS A 20 11.179 0.890 2.172 1.00 0.00 O ATOM 306 CB CYS A 20 10.579 -1.350 -0.198 1.00 0.00 C ATOM 307 SG CYS A 20 10.364 -1.426 -1.994 1.00 0.00 S ATOM 0 H CYS A 20 12.885 -1.824 -0.716 1.00 0.00 H new ATOM 0 HA CYS A 20 11.423 0.646 -0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.873 -2.327 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.635 -1.090 0.281 1.00 0.00 H new ATOM 0 HG CYS A 20 11.311 -2.149 -2.514 1.00 0.00 H new ATOM 313 N GLN A 21 12.392 -0.936 2.356 1.00 0.00 N ATOM 314 CA GLN A 21 12.536 -0.777 3.831 1.00 0.00 C ATOM 315 C GLN A 21 13.538 0.332 4.139 1.00 0.00 C ATOM 316 O GLN A 21 13.294 1.202 4.953 1.00 0.00 O ATOM 317 CB GLN A 21 13.078 -2.111 4.309 1.00 0.00 C ATOM 318 CG GLN A 21 11.904 -3.030 4.595 1.00 0.00 C ATOM 319 CD GLN A 21 12.419 -4.392 5.020 1.00 0.00 C ATOM 320 OE1 GLN A 21 13.611 -4.615 5.103 1.00 0.00 O ATOM 321 NE2 GLN A 21 11.559 -5.317 5.292 1.00 0.00 N ATOM 0 H GLN A 21 12.857 -1.756 1.966 1.00 0.00 H new ATOM 0 HA GLN A 21 11.596 -0.511 4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.728 -2.550 3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.681 -1.976 5.207 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.279 -2.605 5.380 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.279 -3.127 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 21 10.560 -5.122 5.220 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.879 -6.242 5.579 1.00 0.00 H new ATOM 330 N ARG A 22 14.670 0.299 3.488 1.00 0.00 N ATOM 331 CA ARG A 22 15.702 1.343 3.729 1.00 0.00 C ATOM 332 C ARG A 22 15.046 2.717 3.759 1.00 0.00 C ATOM 333 O ARG A 22 15.205 3.476 4.694 1.00 0.00 O ATOM 334 CB ARG A 22 16.643 1.241 2.535 1.00 0.00 C ATOM 335 CG ARG A 22 17.636 0.100 2.757 1.00 0.00 C ATOM 336 CD ARG A 22 18.413 -0.153 1.466 1.00 0.00 C ATOM 337 NE ARG A 22 19.440 -1.170 1.822 1.00 0.00 N ATOM 338 CZ ARG A 22 20.263 -1.613 0.911 1.00 0.00 C ATOM 339 NH1 ARG A 22 20.215 -1.133 -0.304 1.00 0.00 N ATOM 340 NH2 ARG A 22 21.142 -2.527 1.215 1.00 0.00 N ATOM 0 H ARG A 22 14.923 -0.409 2.798 1.00 0.00 H new ATOM 0 HA ARG A 22 16.221 1.206 4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.072 1.066 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 22 17.178 2.181 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.323 0.353 3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 22 17.107 -0.804 3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.756 -0.517 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.876 0.763 1.099 1.00 0.00 H new ATOM 0 HE ARG A 22 19.501 -1.521 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.534 -0.412 -0.541 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.859 -1.480 -1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 22 21.186 -2.896 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.785 -2.873 0.503 1.00 0.00 H new ATOM 354 N ALA A 23 14.296 3.034 2.746 1.00 0.00 N ATOM 355 CA ALA A 23 13.611 4.349 2.715 1.00 0.00 C ATOM 356 C ALA A 23 12.618 4.416 3.881 1.00 0.00 C ATOM 357 O ALA A 23 12.603 5.362 4.643 1.00 0.00 O ATOM 358 CB ALA A 23 12.898 4.376 1.362 1.00 0.00 C ATOM 0 H ALA A 23 14.128 2.437 1.936 1.00 0.00 H new ATOM 0 HA ALA A 23 14.283 5.200 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.362 5.319 1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.632 4.281 0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.191 3.548 1.306 1.00 0.00 H new ATOM 364 N LEU A 24 11.796 3.408 4.030 1.00 0.00 N ATOM 365 CA LEU A 24 10.816 3.398 5.152 1.00 0.00 C ATOM 366 C LEU A 24 11.423 2.725 6.378 1.00 0.00 C ATOM 367 O LEU A 24 10.894 1.768 6.906 1.00 0.00 O ATOM 368 CB LEU A 24 9.637 2.602 4.611 1.00 0.00 C ATOM 369 CG LEU A 24 9.219 3.234 3.296 1.00 0.00 C ATOM 370 CD1 LEU A 24 7.953 2.577 2.767 1.00 0.00 C ATOM 371 CD2 LEU A 24 8.967 4.717 3.530 1.00 0.00 C ATOM 0 H LEU A 24 11.763 2.591 3.420 1.00 0.00 H new ATOM 0 HA LEU A 24 10.522 4.398 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.916 1.559 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.810 2.613 5.321 1.00 0.00 H new ATOM 0 HG LEU A 24 10.010 3.096 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.668 3.043 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.134 1.514 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.148 2.702 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.665 5.187 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.175 4.839 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.880 5.188 3.895 1.00 0.00 H new ATOM 383 N SER A 25 12.531 3.228 6.837 1.00 0.00 N ATOM 384 CA SER A 25 13.184 2.638 8.035 1.00 0.00 C ATOM 385 C SER A 25 13.049 3.604 9.209 1.00 0.00 C ATOM 386 O SER A 25 13.758 3.515 10.191 1.00 0.00 O ATOM 387 CB SER A 25 14.651 2.452 7.646 1.00 0.00 C ATOM 388 OG SER A 25 14.784 1.268 6.866 1.00 0.00 O ATOM 0 H SER A 25 13.016 4.028 6.431 1.00 0.00 H new ATOM 0 HA SER A 25 12.735 1.692 8.338 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.002 3.315 7.080 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.271 2.384 8.540 1.00 0.00 H new ATOM 0 HG SER A 25 13.928 1.062 6.436 1.00 0.00 H new ATOM 394 N ALA A 26 12.136 4.533 9.112 1.00 0.00 N ATOM 395 CA ALA A 26 11.948 5.505 10.220 1.00 0.00 C ATOM 396 C ALA A 26 11.724 4.748 11.527 1.00 0.00 C ATOM 397 O ALA A 26 11.207 3.649 11.540 1.00 0.00 O ATOM 398 CB ALA A 26 10.709 6.315 9.838 1.00 0.00 C ATOM 0 H ALA A 26 11.514 4.658 8.313 1.00 0.00 H new ATOM 0 HA ALA A 26 12.814 6.151 10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.506 7.056 10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.883 6.820 8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.853 5.647 9.742 1.00 0.00 H new ATOM 404 N ASP A 27 12.120 5.323 12.624 1.00 0.00 N ATOM 405 CA ASP A 27 11.943 4.637 13.932 1.00 0.00 C ATOM 406 C ASP A 27 10.463 4.354 14.199 1.00 0.00 C ATOM 407 O ASP A 27 10.120 3.521 15.014 1.00 0.00 O ATOM 408 CB ASP A 27 12.493 5.613 14.968 1.00 0.00 C ATOM 409 CG ASP A 27 12.884 4.841 16.228 1.00 0.00 C ATOM 410 OD1 ASP A 27 13.106 3.646 16.120 1.00 0.00 O ATOM 411 OD2 ASP A 27 12.957 5.458 17.277 1.00 0.00 O ATOM 0 H ASP A 27 12.560 6.242 12.673 1.00 0.00 H new ATOM 0 HA ASP A 27 12.455 3.675 13.959 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.359 6.139 14.566 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.744 6.368 15.207 1.00 0.00 H new ATOM 416 N ARG A 28 9.584 5.039 13.527 1.00 0.00 N ATOM 417 CA ARG A 28 8.131 4.803 13.758 1.00 0.00 C ATOM 418 C ARG A 28 7.533 3.979 12.614 1.00 0.00 C ATOM 419 O ARG A 28 6.352 4.052 12.341 1.00 0.00 O ATOM 420 CB ARG A 28 7.501 6.197 13.785 1.00 0.00 C ATOM 421 CG ARG A 28 7.957 6.985 12.558 1.00 0.00 C ATOM 422 CD ARG A 28 6.921 8.058 12.226 1.00 0.00 C ATOM 423 NE ARG A 28 7.681 9.109 11.497 1.00 0.00 N ATOM 424 CZ ARG A 28 7.101 10.237 11.185 1.00 0.00 C ATOM 425 NH1 ARG A 28 5.849 10.442 11.499 1.00 0.00 N ATOM 426 NH2 ARG A 28 7.773 11.163 10.557 1.00 0.00 N ATOM 0 H ARG A 28 9.806 5.750 12.830 1.00 0.00 H new ATOM 0 HA ARG A 28 7.951 4.249 14.679 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.414 6.117 13.796 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.791 6.721 14.696 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.926 7.447 12.749 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.086 6.314 11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.116 7.654 11.612 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.462 8.458 13.130 1.00 0.00 H new ATOM 0 HE ARG A 28 8.655 8.949 11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.321 9.720 11.989 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.400 11.324 11.254 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.750 11.005 10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.321 12.044 10.313 1.00 0.00 H new ATOM 440 N TYR A 29 8.337 3.207 11.932 1.00 0.00 N ATOM 441 CA TYR A 29 7.798 2.402 10.800 1.00 0.00 C ATOM 442 C TYR A 29 7.633 0.934 11.177 1.00 0.00 C ATOM 443 O TYR A 29 8.546 0.287 11.651 1.00 0.00 O ATOM 444 CB TYR A 29 8.827 2.549 9.684 1.00 0.00 C ATOM 445 CG TYR A 29 8.406 3.680 8.781 1.00 0.00 C ATOM 446 CD1 TYR A 29 8.280 4.972 9.297 1.00 0.00 C ATOM 447 CD2 TYR A 29 8.137 3.436 7.433 1.00 0.00 C ATOM 448 CE1 TYR A 29 7.884 6.026 8.467 1.00 0.00 C ATOM 449 CE2 TYR A 29 7.741 4.488 6.600 1.00 0.00 C ATOM 450 CZ TYR A 29 7.612 5.783 7.118 1.00 0.00 C ATOM 451 OH TYR A 29 7.220 6.818 6.297 1.00 0.00 O ATOM 0 H TYR A 29 9.336 3.100 12.109 1.00 0.00 H new ATOM 0 HA TYR A 29 6.808 2.750 10.506 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.813 2.748 10.104 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.903 1.621 9.117 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.489 5.158 10.340 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.234 2.437 7.034 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.789 7.024 8.867 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.535 4.301 5.556 1.00 0.00 H new ATOM 0 HH TYR A 29 7.976 7.424 6.150 1.00 0.00 H new ATOM 461 N GLN A 30 6.471 0.404 10.929 1.00 0.00 N ATOM 462 CA GLN A 30 6.205 -1.029 11.221 1.00 0.00 C ATOM 463 C GLN A 30 5.975 -1.743 9.893 1.00 0.00 C ATOM 464 O GLN A 30 4.874 -1.795 9.381 1.00 0.00 O ATOM 465 CB GLN A 30 4.940 -1.039 12.080 1.00 0.00 C ATOM 466 CG GLN A 30 4.547 -2.483 12.393 1.00 0.00 C ATOM 467 CD GLN A 30 3.320 -2.497 13.305 1.00 0.00 C ATOM 468 OE1 GLN A 30 2.468 -3.353 13.181 1.00 0.00 O ATOM 469 NE2 GLN A 30 3.191 -1.578 14.224 1.00 0.00 N ATOM 0 H GLN A 30 5.681 0.912 10.530 1.00 0.00 H new ATOM 0 HA GLN A 30 7.023 -1.530 11.738 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.112 -0.489 13.005 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.128 -0.535 11.556 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.332 -3.020 11.469 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.377 -2.999 12.876 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.906 -0.858 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.375 -1.580 14.836 1.00 0.00 H new ATOM 478 N LEU A 31 7.019 -2.247 9.305 1.00 0.00 N ATOM 479 CA LEU A 31 6.882 -2.905 7.980 1.00 0.00 C ATOM 480 C LEU A 31 6.678 -4.415 8.093 1.00 0.00 C ATOM 481 O LEU A 31 7.372 -5.103 8.815 1.00 0.00 O ATOM 482 CB LEU A 31 8.203 -2.607 7.282 1.00 0.00 C ATOM 483 CG LEU A 31 8.441 -1.097 7.270 1.00 0.00 C ATOM 484 CD1 LEU A 31 9.748 -0.784 8.001 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.531 -0.613 5.822 1.00 0.00 C ATOM 0 H LEU A 31 7.965 -2.232 9.686 1.00 0.00 H new ATOM 0 HA LEU A 31 6.009 -2.535 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.021 -3.111 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.183 -2.991 6.262 1.00 0.00 H new ATOM 0 HG LEU A 31 7.617 -0.589 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 31 9.920 0.292 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.682 -1.134 9.031 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.575 -1.287 7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.701 0.464 5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.357 -1.117 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.599 -0.840 5.304 1.00 0.00 H new ATOM 497 N GLN A 32 5.746 -4.928 7.341 1.00 0.00 N ATOM 498 CA GLN A 32 5.491 -6.394 7.338 1.00 0.00 C ATOM 499 C GLN A 32 5.865 -6.938 5.959 1.00 0.00 C ATOM 500 O GLN A 32 5.266 -6.585 4.961 1.00 0.00 O ATOM 501 CB GLN A 32 3.989 -6.542 7.584 1.00 0.00 C ATOM 502 CG GLN A 32 3.657 -8.008 7.874 1.00 0.00 C ATOM 503 CD GLN A 32 4.402 -8.472 9.129 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.118 -8.018 10.220 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.348 -9.365 9.019 1.00 0.00 N ATOM 0 H GLN A 32 5.143 -4.387 6.721 1.00 0.00 H new ATOM 0 HA GLN A 32 6.066 -6.935 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.685 -5.917 8.424 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.432 -6.198 6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.582 -8.126 8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.938 -8.629 7.023 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.586 -9.746 8.103 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.849 -9.682 9.849 1.00 0.00 H new ATOM 514 N VAL A 33 6.864 -7.769 5.883 1.00 0.00 N ATOM 515 CA VAL A 33 7.279 -8.298 4.556 1.00 0.00 C ATOM 516 C VAL A 33 6.472 -9.536 4.187 1.00 0.00 C ATOM 517 O VAL A 33 6.464 -10.526 4.893 1.00 0.00 O ATOM 518 CB VAL A 33 8.752 -8.645 4.709 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.309 -9.102 3.362 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.508 -7.406 5.181 1.00 0.00 C ATOM 0 H VAL A 33 7.409 -8.104 6.678 1.00 0.00 H new ATOM 0 HA VAL A 33 7.110 -7.572 3.761 1.00 0.00 H new ATOM 0 HB VAL A 33 8.869 -9.447 5.438 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.365 -9.351 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.762 -9.981 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.198 -8.300 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.565 -7.646 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.393 -6.608 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.106 -7.078 6.140 1.00 0.00 H new ATOM 530 N CYS A 34 5.802 -9.484 3.075 1.00 0.00 N ATOM 531 CA CYS A 34 4.992 -10.654 2.638 1.00 0.00 C ATOM 532 C CYS A 34 5.734 -11.424 1.547 1.00 0.00 C ATOM 533 O CYS A 34 5.869 -10.965 0.430 1.00 0.00 O ATOM 534 CB CYS A 34 3.696 -10.053 2.096 1.00 0.00 C ATOM 535 SG CYS A 34 2.873 -9.125 3.415 1.00 0.00 S ATOM 0 H CYS A 34 5.779 -8.681 2.447 1.00 0.00 H new ATOM 0 HA CYS A 34 4.802 -11.359 3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.910 -9.397 1.252 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.041 -10.843 1.727 1.00 0.00 H new ATOM 0 HG CYS A 34 2.483 -7.973 2.957 1.00 0.00 H new ATOM 541 N GLU A 35 6.215 -12.593 1.864 1.00 0.00 N ATOM 542 CA GLU A 35 6.949 -13.392 0.848 1.00 0.00 C ATOM 543 C GLU A 35 6.067 -13.615 -0.379 1.00 0.00 C ATOM 544 O GLU A 35 6.548 -13.738 -1.489 1.00 0.00 O ATOM 545 CB GLU A 35 7.244 -14.724 1.535 1.00 0.00 C ATOM 546 CG GLU A 35 8.206 -14.501 2.701 1.00 0.00 C ATOM 547 CD GLU A 35 8.851 -15.834 3.083 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.459 -16.841 2.518 1.00 0.00 O ATOM 549 OE2 GLU A 35 9.728 -15.824 3.932 1.00 0.00 O ATOM 0 H GLU A 35 6.131 -13.028 2.783 1.00 0.00 H new ATOM 0 HA GLU A 35 7.857 -12.895 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.318 -15.171 1.896 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.679 -15.424 0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.973 -13.779 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.671 -14.084 3.555 1.00 0.00 H new ATOM 556 N SER A 36 4.777 -13.676 -0.192 1.00 0.00 N ATOM 557 CA SER A 36 3.871 -13.899 -1.352 1.00 0.00 C ATOM 558 C SER A 36 2.953 -12.693 -1.548 1.00 0.00 C ATOM 559 O SER A 36 3.107 -11.671 -0.909 1.00 0.00 O ATOM 560 CB SER A 36 3.064 -15.136 -0.975 1.00 0.00 C ATOM 561 OG SER A 36 3.876 -16.292 -1.135 1.00 0.00 O ATOM 0 H SER A 36 4.313 -13.581 0.711 1.00 0.00 H new ATOM 0 HA SER A 36 4.414 -14.032 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.719 -15.059 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.176 -15.211 -1.603 1.00 0.00 H new ATOM 0 HG SER A 36 3.361 -17.090 -0.892 1.00 0.00 H new ATOM 567 N GLY A 37 1.980 -12.814 -2.407 1.00 0.00 N ATOM 568 CA GLY A 37 1.036 -11.689 -2.624 1.00 0.00 C ATOM 569 C GLY A 37 -0.255 -12.065 -1.925 1.00 0.00 C ATOM 570 O GLY A 37 -0.996 -11.233 -1.448 1.00 0.00 O ATOM 0 H GLY A 37 1.799 -13.646 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.440 -10.761 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.867 -11.525 -3.688 1.00 0.00 H new ATOM 574 N GLU A 38 -0.497 -13.340 -1.837 1.00 0.00 N ATOM 575 CA GLU A 38 -1.701 -13.840 -1.145 1.00 0.00 C ATOM 576 C GLU A 38 -1.495 -13.684 0.359 1.00 0.00 C ATOM 577 O GLU A 38 -2.400 -13.349 1.097 1.00 0.00 O ATOM 578 CB GLU A 38 -1.760 -15.313 -1.542 1.00 0.00 C ATOM 579 CG GLU A 38 -2.221 -15.434 -2.996 1.00 0.00 C ATOM 580 CD GLU A 38 -2.798 -16.830 -3.234 1.00 0.00 C ATOM 581 OE1 GLU A 38 -3.866 -17.103 -2.712 1.00 0.00 O ATOM 582 OE2 GLU A 38 -2.160 -17.601 -3.929 1.00 0.00 O ATOM 0 H GLU A 38 0.104 -14.067 -2.225 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.619 -13.313 -1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.779 -15.772 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.446 -15.850 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.973 -14.676 -3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.383 -15.255 -3.670 1.00 0.00 H new ATOM 589 N MET A 39 -0.290 -13.913 0.806 1.00 0.00 N ATOM 590 CA MET A 39 0.018 -13.776 2.255 1.00 0.00 C ATOM 591 C MET A 39 -0.259 -12.345 2.702 1.00 0.00 C ATOM 592 O MET A 39 -0.836 -12.101 3.743 1.00 0.00 O ATOM 593 CB MET A 39 1.516 -14.085 2.355 1.00 0.00 C ATOM 594 CG MET A 39 1.735 -15.594 2.264 1.00 0.00 C ATOM 595 SD MET A 39 1.663 -16.318 3.923 1.00 0.00 S ATOM 596 CE MET A 39 3.447 -16.356 4.245 1.00 0.00 C ATOM 0 H MET A 39 0.499 -14.191 0.223 1.00 0.00 H new ATOM 0 HA MET A 39 -0.583 -14.434 2.883 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.056 -13.580 1.554 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.914 -13.706 3.296 1.00 0.00 H new ATOM 0 HG2 MET A 39 0.975 -16.044 1.626 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.701 -15.805 1.806 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.629 -16.775 5.235 1.00 0.00 H new ATOM 0 HE2 MET A 39 3.939 -16.973 3.493 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.846 -15.343 4.201 1.00 0.00 H new ATOM 606 N LEU A 40 0.144 -11.403 1.905 1.00 0.00 N ATOM 607 CA LEU A 40 -0.087 -9.976 2.241 1.00 0.00 C ATOM 608 C LEU A 40 -1.593 -9.712 2.379 1.00 0.00 C ATOM 609 O LEU A 40 -2.034 -9.031 3.282 1.00 0.00 O ATOM 610 CB LEU A 40 0.530 -9.226 1.052 1.00 0.00 C ATOM 611 CG LEU A 40 -0.361 -8.063 0.605 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.482 -7.047 1.737 1.00 0.00 C ATOM 613 CD2 LEU A 40 0.264 -7.395 -0.621 1.00 0.00 C ATOM 0 H LEU A 40 0.630 -11.563 1.023 1.00 0.00 H new ATOM 0 HA LEU A 40 0.353 -9.663 3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.514 -8.848 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.676 -9.915 0.221 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.353 -8.437 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.116 -6.220 1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.924 -7.526 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.507 -6.668 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.366 -6.566 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.255 -7.020 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.349 -8.123 -1.428 1.00 0.00 H new ATOM 625 N LEU A 41 -2.380 -10.244 1.484 1.00 0.00 N ATOM 626 CA LEU A 41 -3.849 -10.020 1.562 1.00 0.00 C ATOM 627 C LEU A 41 -4.379 -10.476 2.920 1.00 0.00 C ATOM 628 O LEU A 41 -5.142 -9.785 3.565 1.00 0.00 O ATOM 629 CB LEU A 41 -4.447 -10.887 0.452 1.00 0.00 C ATOM 630 CG LEU A 41 -3.891 -10.456 -0.903 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.334 -11.460 -1.971 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.428 -9.066 -1.253 1.00 0.00 C ATOM 0 H LEU A 41 -2.069 -10.823 0.704 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.107 -8.967 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.214 -11.936 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.533 -10.797 0.454 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.802 -10.424 -0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.940 -11.157 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.955 -12.450 -1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.423 -11.488 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.032 -8.756 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.517 -9.098 -1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.118 -8.353 -0.489 1.00 0.00 H new ATOM 644 N GLU A 42 -3.973 -11.633 3.367 1.00 0.00 N ATOM 645 CA GLU A 42 -4.463 -12.120 4.688 1.00 0.00 C ATOM 646 C GLU A 42 -4.056 -11.144 5.793 1.00 0.00 C ATOM 647 O GLU A 42 -4.839 -10.819 6.665 1.00 0.00 O ATOM 648 CB GLU A 42 -3.789 -13.476 4.891 1.00 0.00 C ATOM 649 CG GLU A 42 -4.273 -14.089 6.205 1.00 0.00 C ATOM 650 CD GLU A 42 -3.562 -15.421 6.438 1.00 0.00 C ATOM 651 OE1 GLU A 42 -3.411 -16.163 5.482 1.00 0.00 O ATOM 652 OE2 GLU A 42 -3.181 -15.677 7.567 1.00 0.00 O ATOM 0 H GLU A 42 -3.329 -12.257 2.880 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.550 -12.201 4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.023 -14.140 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.706 -13.357 4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.072 -13.408 7.032 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.352 -14.241 6.172 1.00 0.00 H new ATOM 659 N TYR A 43 -2.842 -10.666 5.764 1.00 0.00 N ATOM 660 CA TYR A 43 -2.400 -9.706 6.815 1.00 0.00 C ATOM 661 C TYR A 43 -3.224 -8.420 6.727 1.00 0.00 C ATOM 662 O TYR A 43 -3.624 -7.857 7.727 1.00 0.00 O ATOM 663 CB TYR A 43 -0.928 -9.425 6.518 1.00 0.00 C ATOM 664 CG TYR A 43 -0.482 -8.210 7.296 1.00 0.00 C ATOM 665 CD1 TYR A 43 -1.089 -7.902 8.520 1.00 0.00 C ATOM 666 CD2 TYR A 43 0.540 -7.395 6.797 1.00 0.00 C ATOM 667 CE1 TYR A 43 -0.671 -6.778 9.245 1.00 0.00 C ATOM 668 CE2 TYR A 43 0.955 -6.270 7.521 1.00 0.00 C ATOM 669 CZ TYR A 43 0.350 -5.962 8.744 1.00 0.00 C ATOM 670 OH TYR A 43 0.763 -4.855 9.461 1.00 0.00 O ATOM 0 H TYR A 43 -2.140 -10.897 5.061 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.535 -10.106 7.820 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.320 -10.288 6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.786 -9.259 5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.879 -8.530 8.905 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.009 -7.633 5.854 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.137 -6.541 10.190 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.743 -5.640 7.135 1.00 0.00 H new ATOM 0 HH TYR A 43 1.480 -4.398 8.974 1.00 0.00 H new ATOM 680 N ALA A 44 -3.480 -7.955 5.535 1.00 0.00 N ATOM 681 CA ALA A 44 -4.279 -6.711 5.377 1.00 0.00 C ATOM 682 C ALA A 44 -5.772 -7.044 5.408 1.00 0.00 C ATOM 683 O ALA A 44 -6.607 -6.174 5.541 1.00 0.00 O ATOM 684 CB ALA A 44 -3.877 -6.150 4.013 1.00 0.00 C ATOM 0 H ALA A 44 -3.169 -8.385 4.664 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.096 -5.993 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.426 -5.228 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.807 -5.943 4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.111 -6.878 3.237 1.00 0.00 H new ATOM 690 N GLN A 45 -6.112 -8.297 5.286 1.00 0.00 N ATOM 691 CA GLN A 45 -7.555 -8.688 5.310 1.00 0.00 C ATOM 692 C GLN A 45 -8.078 -8.740 6.742 1.00 0.00 C ATOM 693 O GLN A 45 -9.240 -9.009 6.975 1.00 0.00 O ATOM 694 CB GLN A 45 -7.604 -10.086 4.699 1.00 0.00 C ATOM 695 CG GLN A 45 -7.764 -9.970 3.190 1.00 0.00 C ATOM 696 CD GLN A 45 -7.586 -11.344 2.544 1.00 0.00 C ATOM 697 OE1 GLN A 45 -7.332 -12.321 3.222 1.00 0.00 O ATOM 698 NE2 GLN A 45 -7.709 -11.462 1.251 1.00 0.00 N ATOM 0 H GLN A 45 -5.455 -9.069 5.171 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.170 -7.971 4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.692 -10.632 4.939 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.434 -10.651 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.749 -9.569 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.029 -9.272 2.790 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.922 -10.643 0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.592 -12.374 0.809 1.00 0.00 H new ATOM 707 N THR A 46 -7.235 -8.508 7.705 1.00 0.00 N ATOM 708 CA THR A 46 -7.702 -8.577 9.118 1.00 0.00 C ATOM 709 C THR A 46 -7.109 -7.420 9.922 1.00 0.00 C ATOM 710 O THR A 46 -6.948 -7.493 11.126 1.00 0.00 O ATOM 711 CB THR A 46 -7.198 -9.935 9.611 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.805 -9.852 9.881 1.00 0.00 O ATOM 713 CG2 THR A 46 -7.454 -10.983 8.521 1.00 0.00 C ATOM 0 H THR A 46 -6.250 -8.275 7.579 1.00 0.00 H new ATOM 0 HA THR A 46 -8.783 -8.489 9.223 1.00 0.00 H new ATOM 0 HB THR A 46 -7.722 -10.219 10.524 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.481 -10.721 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.099 -11.956 8.861 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.523 -11.039 8.314 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.923 -10.700 7.612 1.00 0.00 H new ATOM 721 N HIS A 47 -6.794 -6.349 9.252 1.00 0.00 N ATOM 722 CA HIS A 47 -6.218 -5.159 9.938 1.00 0.00 C ATOM 723 C HIS A 47 -6.053 -4.021 8.926 1.00 0.00 C ATOM 724 O HIS A 47 -5.166 -3.200 9.036 1.00 0.00 O ATOM 725 CB HIS A 47 -4.859 -5.626 10.462 1.00 0.00 C ATOM 726 CG HIS A 47 -4.956 -5.919 11.935 1.00 0.00 C ATOM 727 ND1 HIS A 47 -3.987 -6.647 12.604 1.00 0.00 N ATOM 728 CD2 HIS A 47 -5.901 -5.594 12.879 1.00 0.00 C ATOM 729 CE1 HIS A 47 -4.364 -6.738 13.894 1.00 0.00 C ATOM 730 NE2 HIS A 47 -5.524 -6.113 14.116 1.00 0.00 N ATOM 0 H HIS A 47 -6.912 -6.245 8.244 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.849 -4.785 10.744 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.538 -6.518 9.924 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.106 -4.858 10.283 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -6.799 -5.024 12.691 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.798 -7.253 14.656 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -6.026 -6.033 15.001 1.00 0.00 H new ATOM 738 N ARG A 48 -6.903 -3.982 7.933 1.00 0.00 N ATOM 739 CA ARG A 48 -6.801 -2.911 6.887 1.00 0.00 C ATOM 740 C ARG A 48 -6.495 -1.574 7.548 1.00 0.00 C ATOM 741 O ARG A 48 -5.544 -0.897 7.213 1.00 0.00 O ATOM 742 CB ARG A 48 -8.177 -2.808 6.197 1.00 0.00 C ATOM 743 CG ARG A 48 -8.905 -4.149 6.204 1.00 0.00 C ATOM 744 CD ARG A 48 -10.053 -4.125 5.194 1.00 0.00 C ATOM 745 NE ARG A 48 -10.389 -5.565 4.985 1.00 0.00 N ATOM 746 CZ ARG A 48 -11.574 -6.046 5.284 1.00 0.00 C ATOM 747 NH1 ARG A 48 -12.522 -5.281 5.765 1.00 0.00 N ATOM 748 NH2 ARG A 48 -11.808 -7.316 5.103 1.00 0.00 N ATOM 0 H ARG A 48 -7.666 -4.645 7.798 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.011 -3.152 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.785 -2.059 6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.046 -2.469 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.209 -4.951 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.291 -4.357 7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.908 -3.568 5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.753 -3.647 4.262 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.681 -6.190 4.601 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.348 -4.287 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -13.434 -5.679 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.075 -7.922 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.724 -7.703 5.331 1.00 0.00 H new ATOM 762 N ASP A 49 -7.317 -1.191 8.476 1.00 0.00 N ATOM 763 CA ASP A 49 -7.111 0.114 9.171 1.00 0.00 C ATOM 764 C ASP A 49 -5.751 0.135 9.873 1.00 0.00 C ATOM 765 O ASP A 49 -5.102 1.161 9.953 1.00 0.00 O ATOM 766 CB ASP A 49 -8.256 0.220 10.182 1.00 0.00 C ATOM 767 CG ASP A 49 -8.462 1.686 10.573 1.00 0.00 C ATOM 768 OD1 ASP A 49 -7.690 2.512 10.116 1.00 0.00 O ATOM 769 OD2 ASP A 49 -9.389 1.956 11.319 1.00 0.00 O ATOM 0 H ASP A 49 -8.128 -1.724 8.789 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.114 0.954 8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.172 -0.185 9.752 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.029 -0.375 11.067 1.00 0.00 H new ATOM 774 N GLN A 50 -5.304 -0.981 10.377 1.00 0.00 N ATOM 775 CA GLN A 50 -3.980 -0.995 11.056 1.00 0.00 C ATOM 776 C GLN A 50 -2.882 -0.737 10.025 1.00 0.00 C ATOM 777 O GLN A 50 -1.920 -0.044 10.287 1.00 0.00 O ATOM 778 CB GLN A 50 -3.839 -2.394 11.654 1.00 0.00 C ATOM 779 CG GLN A 50 -5.017 -2.678 12.590 1.00 0.00 C ATOM 780 CD GLN A 50 -5.262 -1.471 13.498 1.00 0.00 C ATOM 781 OE1 GLN A 50 -4.358 -0.998 14.158 1.00 0.00 O ATOM 782 NE2 GLN A 50 -6.456 -0.947 13.555 1.00 0.00 N ATOM 0 H GLN A 50 -5.793 -1.876 10.349 1.00 0.00 H new ATOM 0 HA GLN A 50 -3.898 -0.228 11.826 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.807 -3.138 10.858 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.900 -2.473 12.202 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.912 -2.893 12.007 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.809 -3.562 13.193 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.214 -1.345 13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.631 -0.140 14.154 1.00 0.00 H new ATOM 791 N ILE A 51 -3.029 -1.282 8.845 1.00 0.00 N ATOM 792 CA ILE A 51 -1.999 -1.059 7.790 1.00 0.00 C ATOM 793 C ILE A 51 -2.028 0.407 7.364 1.00 0.00 C ATOM 794 O ILE A 51 -3.050 0.927 6.965 1.00 0.00 O ATOM 795 CB ILE A 51 -2.411 -1.961 6.624 1.00 0.00 C ATOM 796 CG1 ILE A 51 -2.738 -3.369 7.139 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.265 -2.042 5.612 1.00 0.00 C ATOM 798 CD1 ILE A 51 -1.722 -3.794 8.202 1.00 0.00 C ATOM 0 H ILE A 51 -3.815 -1.870 8.568 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.990 -1.287 8.134 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.296 -1.542 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.743 -3.386 7.560 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.727 -4.078 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.558 -2.684 4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.040 -1.044 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.381 -2.456 6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.966 -4.795 8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.722 -3.797 7.769 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.754 -3.093 9.036 1.00 0.00 H new ATOM 810 N ASP A 52 -0.922 1.083 7.461 1.00 0.00 N ATOM 811 CA ASP A 52 -0.900 2.522 7.082 1.00 0.00 C ATOM 812 C ASP A 52 -0.509 2.715 5.609 1.00 0.00 C ATOM 813 O ASP A 52 -1.021 3.590 4.947 1.00 0.00 O ATOM 814 CB ASP A 52 0.150 3.149 8.002 1.00 0.00 C ATOM 815 CG ASP A 52 -0.489 3.518 9.344 1.00 0.00 C ATOM 816 OD1 ASP A 52 -1.580 3.043 9.610 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.123 4.271 10.081 1.00 0.00 O ATOM 0 H ASP A 52 -0.032 0.704 7.786 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.883 2.980 7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.972 2.451 8.160 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.573 4.038 7.534 1.00 0.00 H new ATOM 822 N CYS A 53 0.401 1.928 5.094 1.00 0.00 N ATOM 823 CA CYS A 53 0.823 2.114 3.667 1.00 0.00 C ATOM 824 C CYS A 53 1.178 0.767 3.023 1.00 0.00 C ATOM 825 O CYS A 53 1.844 -0.056 3.617 1.00 0.00 O ATOM 826 CB CYS A 53 2.065 3.006 3.765 1.00 0.00 C ATOM 827 SG CYS A 53 2.061 4.237 2.437 1.00 0.00 S ATOM 0 H CYS A 53 0.868 1.170 5.592 1.00 0.00 H new ATOM 0 HA CYS A 53 0.036 2.548 3.050 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.087 3.506 4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.966 2.395 3.701 1.00 0.00 H new ATOM 0 HG CYS A 53 1.275 3.841 1.480 1.00 0.00 H new ATOM 833 N LEU A 54 0.746 0.531 1.810 1.00 0.00 N ATOM 834 CA LEU A 54 1.077 -0.772 1.155 1.00 0.00 C ATOM 835 C LEU A 54 2.150 -0.582 0.082 1.00 0.00 C ATOM 836 O LEU A 54 1.966 0.173 -0.852 1.00 0.00 O ATOM 837 CB LEU A 54 -0.231 -1.237 0.505 1.00 0.00 C ATOM 838 CG LEU A 54 0.012 -2.494 -0.348 1.00 0.00 C ATOM 839 CD1 LEU A 54 1.009 -3.421 0.349 1.00 0.00 C ATOM 840 CD2 LEU A 54 -1.310 -3.243 -0.548 1.00 0.00 C ATOM 0 H LEU A 54 0.186 1.174 1.251 1.00 0.00 H new ATOM 0 HA LEU A 54 1.466 -1.494 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.972 -1.450 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.639 -0.440 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 54 0.417 -2.189 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.172 -4.307 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.955 -2.898 0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.611 -3.720 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.136 -4.133 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.713 -3.536 0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.023 -2.593 -1.056 1.00 0.00 H new ATOM 852 N ILE A 55 3.257 -1.276 0.174 1.00 0.00 N ATOM 853 CA ILE A 55 4.285 -1.123 -0.889 1.00 0.00 C ATOM 854 C ILE A 55 4.077 -2.225 -1.914 1.00 0.00 C ATOM 855 O ILE A 55 3.801 -3.357 -1.568 1.00 0.00 O ATOM 856 CB ILE A 55 5.637 -1.300 -0.216 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.812 -0.288 0.914 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.739 -1.091 -1.256 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.061 -0.667 1.704 1.00 0.00 C ATOM 0 H ILE A 55 3.487 -1.928 0.924 1.00 0.00 H new ATOM 0 HA ILE A 55 4.223 -0.154 -1.384 1.00 0.00 H new ATOM 0 HB ILE A 55 5.696 -2.304 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.909 0.720 0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.937 -0.288 1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.713 -1.216 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.627 -1.822 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.663 -0.086 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.206 0.043 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.942 -1.670 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.929 -0.646 1.045 1.00 0.00 H new ATOM 871 N LEU A 56 4.189 -1.920 -3.166 1.00 0.00 N ATOM 872 CA LEU A 56 3.977 -2.978 -4.180 1.00 0.00 C ATOM 873 C LEU A 56 4.982 -2.854 -5.321 1.00 0.00 C ATOM 874 O LEU A 56 5.491 -1.789 -5.612 1.00 0.00 O ATOM 875 CB LEU A 56 2.556 -2.751 -4.670 1.00 0.00 C ATOM 876 CG LEU A 56 1.577 -3.168 -3.572 1.00 0.00 C ATOM 877 CD1 LEU A 56 0.146 -2.930 -4.045 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.768 -4.653 -3.253 1.00 0.00 C ATOM 0 H LEU A 56 4.416 -0.995 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 56 4.118 -3.979 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.409 -1.702 -4.926 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.374 -3.329 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 56 1.766 -2.576 -2.676 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.551 -3.228 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.008 -1.872 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.044 -3.520 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.070 -4.950 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.581 -5.245 -4.149 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.789 -4.823 -2.912 1.00 0.00 H new ATOM 890 N VAL A 57 5.266 -3.948 -5.969 1.00 0.00 N ATOM 891 CA VAL A 57 6.235 -3.930 -7.101 1.00 0.00 C ATOM 892 C VAL A 57 5.526 -4.407 -8.375 1.00 0.00 C ATOM 893 O VAL A 57 5.186 -5.565 -8.508 1.00 0.00 O ATOM 894 CB VAL A 57 7.323 -4.924 -6.685 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.321 -5.115 -7.830 1.00 0.00 C ATOM 896 CG2 VAL A 57 8.052 -4.390 -5.447 1.00 0.00 C ATOM 0 H VAL A 57 4.865 -4.863 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 57 6.644 -2.941 -7.305 1.00 0.00 H new ATOM 0 HB VAL A 57 6.864 -5.885 -6.452 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.092 -5.823 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.800 -5.500 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.783 -4.158 -8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.827 -5.096 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.508 -3.428 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.340 -4.266 -4.631 1.00 0.00 H new ATOM 906 N ALA A 58 5.280 -3.524 -9.303 1.00 0.00 N ATOM 907 CA ALA A 58 4.568 -3.934 -10.550 1.00 0.00 C ATOM 908 C ALA A 58 5.350 -5.006 -11.317 1.00 0.00 C ATOM 909 O ALA A 58 4.786 -5.772 -12.072 1.00 0.00 O ATOM 910 CB ALA A 58 4.450 -2.661 -11.379 1.00 0.00 C ATOM 0 H ALA A 58 5.540 -2.539 -9.254 1.00 0.00 H new ATOM 0 HA ALA A 58 3.596 -4.373 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.936 -2.882 -12.314 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.884 -1.915 -10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.446 -2.274 -11.595 1.00 0.00 H new ATOM 916 N ALA A 59 6.638 -5.065 -11.138 1.00 0.00 N ATOM 917 CA ALA A 59 7.451 -6.087 -11.865 1.00 0.00 C ATOM 918 C ALA A 59 6.872 -7.494 -11.667 1.00 0.00 C ATOM 919 O ALA A 59 7.206 -8.416 -12.384 1.00 0.00 O ATOM 920 CB ALA A 59 8.844 -5.986 -11.242 1.00 0.00 C ATOM 0 H ALA A 59 7.167 -4.450 -10.520 1.00 0.00 H new ATOM 0 HA ALA A 59 7.462 -5.911 -12.941 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.509 -6.706 -11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.235 -4.979 -11.387 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.782 -6.201 -10.175 1.00 0.00 H new ATOM 926 N ASN A 60 6.016 -7.674 -10.696 1.00 0.00 N ATOM 927 CA ASN A 60 5.431 -9.026 -10.449 1.00 0.00 C ATOM 928 C ASN A 60 4.445 -9.419 -11.558 1.00 0.00 C ATOM 929 O ASN A 60 4.008 -8.588 -12.329 1.00 0.00 O ATOM 930 CB ASN A 60 4.709 -8.886 -9.114 1.00 0.00 C ATOM 931 CG ASN A 60 5.701 -9.119 -7.975 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.106 -8.189 -7.305 1.00 0.00 O ATOM 933 ND2 ASN A 60 6.113 -10.330 -7.724 1.00 0.00 N ATOM 0 H ASN A 60 5.696 -6.942 -10.062 1.00 0.00 H new ATOM 0 HA ASN A 60 6.193 -9.805 -10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.267 -7.893 -9.029 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.892 -9.605 -9.052 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.775 -10.497 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.774 -11.111 -8.286 1.00 0.00 H new ATOM 940 N PRO A 61 4.131 -10.689 -11.590 1.00 0.00 N ATOM 941 CA PRO A 61 3.189 -11.229 -12.603 1.00 0.00 C ATOM 942 C PRO A 61 1.736 -10.919 -12.218 1.00 0.00 C ATOM 943 O PRO A 61 1.161 -9.945 -12.661 1.00 0.00 O ATOM 944 CB PRO A 61 3.449 -12.733 -12.561 1.00 0.00 C ATOM 945 CG PRO A 61 4.000 -13.006 -11.195 1.00 0.00 C ATOM 946 CD PRO A 61 4.630 -11.733 -10.690 1.00 0.00 C ATOM 0 HA PRO A 61 3.335 -10.797 -13.593 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.531 -13.295 -12.733 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.155 -13.031 -13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.208 -13.333 -10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.737 -13.808 -11.234 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.347 -11.534 -9.657 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.718 -11.792 -10.716 1.00 0.00 H new ATOM 954 N SER A 62 1.139 -11.747 -11.402 1.00 0.00 N ATOM 955 CA SER A 62 -0.279 -11.514 -10.989 1.00 0.00 C ATOM 956 C SER A 62 -0.352 -10.508 -9.832 1.00 0.00 C ATOM 957 O SER A 62 -1.190 -10.611 -8.960 1.00 0.00 O ATOM 958 CB SER A 62 -0.775 -12.888 -10.538 1.00 0.00 C ATOM 959 OG SER A 62 0.327 -13.649 -10.058 1.00 0.00 O ATOM 0 H SER A 62 1.573 -12.579 -11.001 1.00 0.00 H new ATOM 0 HA SER A 62 -0.881 -11.097 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.525 -12.778 -9.755 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.255 -13.405 -11.369 1.00 0.00 H new ATOM 0 HG SER A 62 0.662 -14.228 -10.774 1.00 0.00 H new ATOM 965 N PHE A 63 0.518 -9.537 -9.822 1.00 0.00 N ATOM 966 CA PHE A 63 0.502 -8.522 -8.731 1.00 0.00 C ATOM 967 C PHE A 63 -0.795 -7.709 -8.779 1.00 0.00 C ATOM 968 O PHE A 63 -1.469 -7.544 -7.783 1.00 0.00 O ATOM 969 CB PHE A 63 1.732 -7.653 -9.016 1.00 0.00 C ATOM 970 CG PHE A 63 1.515 -6.231 -8.551 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.202 -5.965 -7.215 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.639 -5.176 -9.461 1.00 0.00 C ATOM 973 CE1 PHE A 63 1.011 -4.649 -6.791 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.450 -3.858 -9.039 1.00 0.00 C ATOM 975 CZ PHE A 63 1.135 -3.592 -7.701 1.00 0.00 C ATOM 0 H PHE A 63 1.243 -9.402 -10.526 1.00 0.00 H new ATOM 0 HA PHE A 63 0.537 -8.960 -7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.603 -8.074 -8.513 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.946 -7.660 -10.085 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.108 -6.778 -6.510 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.882 -5.381 -10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.767 -4.446 -5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.547 -3.045 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.988 -2.574 -7.372 1.00 0.00 H new ATOM 985 N ARG A 64 -1.156 -7.207 -9.927 1.00 0.00 N ATOM 986 CA ARG A 64 -2.414 -6.416 -10.021 1.00 0.00 C ATOM 987 C ARG A 64 -3.568 -7.239 -9.460 1.00 0.00 C ATOM 988 O ARG A 64 -4.466 -6.721 -8.826 1.00 0.00 O ATOM 989 CB ARG A 64 -2.615 -6.150 -11.512 1.00 0.00 C ATOM 990 CG ARG A 64 -1.840 -4.893 -11.910 1.00 0.00 C ATOM 991 CD ARG A 64 -0.361 -5.236 -12.069 1.00 0.00 C ATOM 992 NE ARG A 64 -0.318 -6.198 -13.207 1.00 0.00 N ATOM 993 CZ ARG A 64 0.823 -6.536 -13.744 1.00 0.00 C ATOM 994 NH1 ARG A 64 1.940 -6.049 -13.276 1.00 0.00 N ATOM 995 NH2 ARG A 64 0.846 -7.361 -14.758 1.00 0.00 N ATOM 0 H ARG A 64 -0.638 -7.309 -10.799 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.369 -5.485 -9.456 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.270 -7.004 -12.095 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.675 -6.022 -11.731 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.233 -4.491 -12.844 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.966 -4.120 -11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.232 -4.346 -12.280 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.043 -5.680 -11.159 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.185 -6.595 -13.568 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.924 -5.402 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.829 -6.316 -13.698 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.026 -7.739 -15.128 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.736 -7.627 -15.179 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.539 -8.521 -9.679 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.625 -9.391 -9.148 1.00 0.00 C ATOM 1011 C ALA A 65 -4.593 -9.379 -7.619 1.00 0.00 C ATOM 1012 O ALA A 65 -5.610 -9.341 -6.962 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.314 -10.789 -9.684 1.00 0.00 C ATOM 0 H ALA A 65 -2.811 -9.006 -10.203 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.617 -9.056 -9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.072 -11.490 -9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.313 -10.769 -10.774 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.335 -11.106 -9.326 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.423 -9.401 -7.049 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.318 -9.378 -5.566 1.00 0.00 C ATOM 1021 C VAL A 66 -3.815 -8.030 -5.039 1.00 0.00 C ATOM 1022 O VAL A 66 -4.591 -7.960 -4.102 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.824 -9.560 -5.286 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.533 -9.293 -3.809 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.420 -10.996 -5.637 1.00 0.00 C ATOM 0 H VAL A 66 -2.533 -9.434 -7.547 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.917 -10.148 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.253 -8.856 -5.892 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.468 -9.425 -3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.823 -8.272 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.101 -9.992 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.357 -11.133 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.995 -11.695 -5.029 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.621 -11.183 -6.692 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.383 -6.955 -5.640 1.00 0.00 N ATOM 1036 CA VAL A 67 -3.844 -5.622 -5.170 1.00 0.00 C ATOM 1037 C VAL A 67 -5.362 -5.541 -5.266 1.00 0.00 C ATOM 1038 O VAL A 67 -6.020 -5.019 -4.386 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.215 -4.603 -6.114 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.374 -3.204 -5.514 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.731 -4.914 -6.305 1.00 0.00 C ATOM 0 H VAL A 67 -2.737 -6.943 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.560 -5.440 -4.134 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.712 -4.649 -7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.927 -2.468 -6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.433 -2.981 -5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.875 -3.165 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.290 -4.181 -6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.223 -4.871 -5.341 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.620 -5.912 -6.729 1.00 0.00 H new ATOM 1051 N GLN A 68 -5.933 -6.051 -6.327 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.412 -5.992 -6.454 1.00 0.00 C ATOM 1053 C GLN A 68 -8.040 -6.739 -5.277 1.00 0.00 C ATOM 1054 O GLN A 68 -9.057 -6.341 -4.745 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.732 -6.655 -7.807 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.157 -8.114 -7.614 1.00 0.00 C ATOM 1057 CD GLN A 68 -8.061 -8.854 -8.948 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -7.518 -8.337 -9.904 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -8.570 -10.049 -9.054 1.00 0.00 N ATOM 0 H GLN A 68 -5.442 -6.500 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.811 -4.978 -6.430 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.528 -6.103 -8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.857 -6.610 -8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.519 -8.595 -6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.177 -8.159 -7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.026 -10.482 -8.251 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.513 -10.551 -9.940 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.427 -7.812 -4.855 1.00 0.00 N ATOM 1069 CA GLN A 69 -7.978 -8.571 -3.702 1.00 0.00 C ATOM 1070 C GLN A 69 -8.062 -7.642 -2.493 1.00 0.00 C ATOM 1071 O GLN A 69 -9.027 -7.654 -1.754 1.00 0.00 O ATOM 1072 CB GLN A 69 -6.981 -9.703 -3.455 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.510 -10.608 -2.341 1.00 0.00 C ATOM 1074 CD GLN A 69 -7.576 -12.054 -2.839 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -6.567 -12.637 -3.187 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -8.729 -12.664 -2.884 1.00 0.00 N ATOM 0 H GLN A 69 -6.571 -8.193 -5.259 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.979 -8.962 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.834 -10.279 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.010 -9.294 -3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.861 -10.543 -1.468 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.500 -10.275 -2.028 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.576 -12.176 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.783 -13.629 -3.211 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.068 -6.808 -2.302 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.119 -5.857 -1.152 1.00 0.00 C ATOM 1087 C LEU A 70 -8.364 -4.984 -1.282 1.00 0.00 C ATOM 1088 O LEU A 70 -9.164 -4.877 -0.374 1.00 0.00 O ATOM 1089 CB LEU A 70 -5.863 -4.989 -1.279 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.712 -5.609 -0.490 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.471 -5.693 -1.379 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.404 -4.728 0.725 1.00 0.00 C ATOM 0 H LEU A 70 -6.234 -6.746 -2.886 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.158 -6.371 -0.191 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.584 -4.892 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.067 -3.984 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.992 -6.610 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.649 -6.136 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.689 -6.311 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.189 -4.692 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.583 -5.165 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.122 -3.730 0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.288 -4.661 1.359 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.533 -4.364 -2.419 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.725 -3.498 -2.632 1.00 0.00 C ATOM 1106 C CYS A 71 -11.001 -4.328 -2.500 1.00 0.00 C ATOM 1107 O CYS A 71 -11.960 -3.922 -1.875 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.589 -2.982 -4.063 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.114 -1.942 -4.204 1.00 0.00 S ATOM 0 H CYS A 71 -7.893 -4.421 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.781 -2.688 -1.904 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.521 -3.820 -4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.475 -2.411 -4.339 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.282 -2.237 -3.249 1.00 0.00 H new ATOM 1115 N PHE A 72 -11.014 -5.490 -3.089 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.221 -6.355 -3.010 1.00 0.00 C ATOM 1117 C PHE A 72 -12.665 -6.507 -1.553 1.00 0.00 C ATOM 1118 O PHE A 72 -13.840 -6.495 -1.249 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.784 -7.697 -3.592 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.986 -8.595 -3.708 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -14.026 -8.252 -4.577 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.064 -9.763 -2.943 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -15.148 -9.080 -4.687 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.187 -10.592 -3.051 1.00 0.00 C ATOM 1125 CZ PHE A 72 -15.230 -10.250 -3.922 1.00 0.00 C ATOM 0 H PHE A 72 -10.237 -5.879 -3.624 1.00 0.00 H new ATOM 0 HA PHE A 72 -13.069 -5.939 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -11.326 -7.552 -4.571 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.030 -8.157 -2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -13.963 -7.347 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.260 -10.025 -2.271 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.950 -8.817 -5.361 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.249 -11.496 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 72 -16.097 -10.889 -4.003 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.734 -6.643 -0.652 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.102 -6.783 0.785 1.00 0.00 C ATOM 1137 C GLU A 73 -12.356 -5.401 1.392 1.00 0.00 C ATOM 1138 O GLU A 73 -12.815 -5.275 2.510 1.00 0.00 O ATOM 1139 CB GLU A 73 -10.888 -7.437 1.444 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.611 -8.779 0.770 1.00 0.00 C ATOM 1141 CD GLU A 73 -11.655 -9.800 1.225 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -12.739 -9.801 0.663 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -11.355 -10.558 2.132 1.00 0.00 O ATOM 0 H GLU A 73 -10.733 -6.663 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.008 -7.372 0.927 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.018 -6.787 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.072 -7.582 2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.643 -8.668 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.610 -9.127 1.025 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.054 -4.362 0.660 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.269 -2.989 1.191 1.00 0.00 C ATOM 1152 C GLY A 74 -10.971 -2.484 1.819 1.00 0.00 C ATOM 1153 O GLY A 74 -10.972 -1.567 2.614 1.00 0.00 O ATOM 0 H GLY A 74 -11.668 -4.407 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.583 -2.321 0.389 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.068 -2.994 1.933 1.00 0.00 H new ATOM 1157 N VAL A 75 -9.856 -3.078 1.475 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.567 -2.620 2.068 1.00 0.00 C ATOM 1159 C VAL A 75 -7.914 -1.557 1.179 1.00 0.00 C ATOM 1160 O VAL A 75 -7.069 -1.855 0.359 1.00 0.00 O ATOM 1161 CB VAL A 75 -7.681 -3.866 2.127 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.449 -3.567 2.986 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.459 -5.033 2.744 1.00 0.00 C ATOM 0 H VAL A 75 -9.784 -3.853 0.815 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.714 -2.173 3.051 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.373 -4.137 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.814 -4.452 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.890 -2.741 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.765 -3.295 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.821 -5.916 2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.773 -4.768 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.338 -5.247 2.136 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.283 -0.316 1.344 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.659 0.751 0.515 1.00 0.00 C ATOM 1175 C VAL A 76 -6.682 1.561 1.370 1.00 0.00 C ATOM 1176 O VAL A 76 -7.064 2.240 2.303 1.00 0.00 O ATOM 1177 CB VAL A 76 -8.817 1.621 0.028 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.332 2.534 -1.100 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -9.940 0.723 -0.496 1.00 0.00 C ATOM 0 H VAL A 76 -8.985 0.003 2.012 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.092 0.349 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.187 2.228 0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.158 3.154 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.529 3.172 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.963 1.927 -1.926 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.768 1.341 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.566 0.118 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.287 0.070 0.305 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.421 1.482 1.058 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.398 2.228 1.842 1.00 0.00 C ATOM 1191 C VAL A 77 -3.498 3.012 0.887 1.00 0.00 C ATOM 1192 O VAL A 77 -3.506 2.764 -0.301 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.582 1.135 2.536 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.438 0.422 3.585 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.124 0.118 1.487 1.00 0.00 C ATOM 0 H VAL A 77 -5.051 0.928 0.286 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.837 2.936 2.545 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.720 1.587 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.846 -0.353 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.775 1.142 4.330 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.303 -0.032 3.101 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.541 -0.666 1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.995 -0.323 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.509 0.619 0.739 1.00 0.00 H new ATOM 1205 N PRO A 78 -2.716 3.903 1.429 1.00 0.00 N ATOM 1206 CA PRO A 78 -1.779 4.666 0.581 1.00 0.00 C ATOM 1207 C PRO A 78 -0.756 3.683 0.030 1.00 0.00 C ATOM 1208 O PRO A 78 0.211 3.341 0.675 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.151 5.671 1.538 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.319 5.058 2.887 1.00 0.00 C ATOM 1211 CD PRO A 78 -2.610 4.279 2.842 1.00 0.00 C ATOM 0 HA PRO A 78 -2.234 5.175 -0.269 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.099 5.836 1.306 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.647 6.640 1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.479 4.405 3.124 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.355 5.825 3.661 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.577 3.404 3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.458 4.883 3.164 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.995 3.182 -1.140 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.069 2.178 -1.715 1.00 0.00 C ATOM 1221 C ALA A 79 0.889 2.823 -2.712 1.00 0.00 C ATOM 1222 O ALA A 79 0.484 3.382 -3.710 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.991 1.184 -2.409 1.00 0.00 C ATOM 0 H ALA A 79 -1.794 3.424 -1.726 1.00 0.00 H new ATOM 0 HA ALA A 79 0.562 1.709 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.396 0.396 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.670 0.746 -1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.568 1.698 -3.177 1.00 0.00 H new ATOM 1229 N ILE A 80 2.162 2.728 -2.454 1.00 0.00 N ATOM 1230 CA ILE A 80 3.155 3.315 -3.395 1.00 0.00 C ATOM 1231 C ILE A 80 3.625 2.214 -4.349 1.00 0.00 C ATOM 1232 O ILE A 80 4.145 1.198 -3.932 1.00 0.00 O ATOM 1233 CB ILE A 80 4.306 3.822 -2.520 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.742 4.676 -1.377 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.247 4.680 -3.369 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.785 4.805 -0.261 1.00 0.00 C ATOM 0 H ILE A 80 2.558 2.270 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 80 2.749 4.128 -3.997 1.00 0.00 H new ATOM 0 HB ILE A 80 4.851 2.972 -2.108 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.470 5.664 -1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.832 4.221 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.067 5.042 -2.749 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.647 4.081 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.697 5.529 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.379 5.412 0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.035 3.815 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.683 5.280 -0.656 1.00 0.00 H new ATOM 1248 N VAL A 81 3.418 2.393 -5.622 1.00 0.00 N ATOM 1249 CA VAL A 81 3.821 1.342 -6.600 1.00 0.00 C ATOM 1250 C VAL A 81 5.211 1.629 -7.178 1.00 0.00 C ATOM 1251 O VAL A 81 5.567 2.761 -7.439 1.00 0.00 O ATOM 1252 CB VAL A 81 2.749 1.408 -7.689 1.00 0.00 C ATOM 1253 CG1 VAL A 81 3.039 0.360 -8.764 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.376 1.135 -7.062 1.00 0.00 C ATOM 0 H VAL A 81 2.987 3.222 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 81 3.889 0.355 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 81 2.754 2.398 -8.145 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.273 0.411 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.016 0.554 -9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.036 -0.633 -8.314 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.608 1.181 -7.834 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.374 0.145 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.169 1.885 -6.299 1.00 0.00 H new ATOM 1264 N VAL A 82 6.001 0.604 -7.376 1.00 0.00 N ATOM 1265 CA VAL A 82 7.371 0.812 -7.932 1.00 0.00 C ATOM 1266 C VAL A 82 7.428 0.380 -9.396 1.00 0.00 C ATOM 1267 O VAL A 82 6.851 -0.615 -9.785 1.00 0.00 O ATOM 1268 CB VAL A 82 8.285 -0.077 -7.096 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.743 0.277 -7.388 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.994 0.149 -5.614 1.00 0.00 C ATOM 0 H VAL A 82 5.756 -0.366 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 82 7.664 1.861 -7.893 1.00 0.00 H new ATOM 0 HB VAL A 82 8.107 -1.123 -7.347 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.398 -0.358 -6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.951 0.119 -8.446 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.921 1.322 -7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.646 -0.486 -5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.174 1.194 -5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.954 -0.100 -5.405 1.00 0.00 H new ATOM 1280 N GLY A 83 8.125 1.124 -10.207 1.00 0.00 N ATOM 1281 CA GLY A 83 8.228 0.762 -11.647 1.00 0.00 C ATOM 1282 C GLY A 83 7.068 1.395 -12.416 1.00 0.00 C ATOM 1283 O GLY A 83 6.222 2.056 -11.848 1.00 0.00 O ATOM 0 H GLY A 83 8.628 1.968 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.179 1.108 -12.053 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.207 -0.322 -11.763 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.369 -0.723 -10.946 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.417 -1.364 -10.005 1.00 0.00 C ATOM 1494 C LEU A 98 -3.019 -1.309 -8.617 1.00 0.00 C ATOM 1495 O LEU A 98 -2.789 -2.158 -7.782 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.153 -0.519 -10.087 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.590 -0.599 -11.503 1.00 0.00 C ATOM 1498 CD1 LEU A 98 0.669 0.256 -11.592 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.235 -2.048 -11.830 1.00 0.00 C ATOM 0 HA LEU A 98 -2.204 -2.407 -10.238 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.375 0.516 -9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.415 -0.875 -9.368 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.335 -0.236 -12.211 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.075 0.202 -12.602 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.423 1.291 -11.355 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.410 -0.113 -10.883 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.167 -2.105 -12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.511 -2.408 -11.122 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.130 -2.667 -11.760 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.810 -0.309 -8.383 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.474 -0.174 -7.064 1.00 0.00 C ATOM 1513 C TYR A 99 -5.551 0.917 -7.147 1.00 0.00 C ATOM 1514 O TYR A 99 -6.363 0.915 -8.053 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.357 0.200 -6.085 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.712 -0.286 -4.697 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.048 -0.290 -4.283 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.707 -0.723 -3.821 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.384 -0.729 -2.995 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.044 -1.162 -2.534 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.380 -1.164 -2.122 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.708 -1.596 -0.853 1.00 0.00 O ATOM 0 H TYR A 99 -4.028 0.428 -9.054 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.976 -1.086 -6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.415 -0.244 -6.406 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.214 1.281 -6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.822 0.046 -4.957 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.675 -0.721 -4.138 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.416 -0.732 -2.677 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.271 -1.499 -1.859 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.681 -1.563 -0.738 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.581 1.853 -6.232 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.626 2.918 -6.321 1.00 0.00 C ATOM 1534 C HIS A 100 -6.041 4.186 -6.956 1.00 0.00 C ATOM 1535 O HIS A 100 -4.843 4.331 -7.084 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.107 3.179 -4.886 1.00 0.00 C ATOM 1537 CG HIS A 100 -5.951 3.487 -3.972 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.481 4.791 -3.775 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.183 2.684 -3.158 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.478 4.729 -2.873 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.282 3.479 -2.487 1.00 0.00 N ATOM 0 H HIS A 100 -4.941 1.926 -5.442 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.460 2.609 -6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.810 4.012 -4.881 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.645 2.306 -4.515 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.273 1.612 -3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -3.915 5.579 -2.517 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.587 3.161 -1.812 1.00 0.00 H new ATOM 1549 N SER A 101 -6.882 5.096 -7.378 1.00 0.00 N ATOM 1550 CA SER A 101 -6.380 6.344 -8.033 1.00 0.00 C ATOM 1551 C SER A 101 -5.485 7.148 -7.086 1.00 0.00 C ATOM 1552 O SER A 101 -4.824 8.083 -7.495 1.00 0.00 O ATOM 1553 CB SER A 101 -7.636 7.144 -8.379 1.00 0.00 C ATOM 1554 OG SER A 101 -8.094 7.821 -7.218 1.00 0.00 O ATOM 0 H SER A 101 -7.897 5.029 -7.297 1.00 0.00 H new ATOM 0 HA SER A 101 -5.775 6.117 -8.911 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.418 7.861 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.413 6.479 -8.757 1.00 0.00 H new ATOM 0 HG SER A 101 -8.979 8.205 -7.391 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.449 6.807 -5.828 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.584 7.575 -4.887 1.00 0.00 C ATOM 1562 C ALA A 102 -3.214 6.900 -4.756 1.00 0.00 C ATOM 1563 O ALA A 102 -2.230 7.540 -4.440 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.326 7.570 -3.550 1.00 0.00 C ATOM 0 H ALA A 102 -5.975 6.038 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.402 8.592 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.745 8.119 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.299 8.045 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.464 6.542 -3.214 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.136 5.615 -4.999 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.825 4.915 -4.889 1.00 0.00 C ATOM 1572 C GLU A 103 -0.720 5.766 -5.527 1.00 0.00 C ATOM 1573 O GLU A 103 -0.872 6.281 -6.616 1.00 0.00 O ATOM 1574 CB GLU A 103 -2.014 3.600 -5.655 1.00 0.00 C ATOM 1575 CG GLU A 103 -2.108 3.882 -7.159 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.592 2.627 -7.890 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -1.861 1.648 -7.894 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -3.686 2.665 -8.432 1.00 0.00 O ATOM 0 H GLU A 103 -3.923 5.024 -5.268 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.530 4.740 -3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.180 2.928 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.918 3.096 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.795 4.709 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.134 4.186 -7.543 1.00 0.00 H new ATOM 1585 N LEU A 104 0.385 5.923 -4.853 1.00 0.00 N ATOM 1586 CA LEU A 104 1.490 6.747 -5.422 1.00 0.00 C ATOM 1587 C LEU A 104 2.466 5.858 -6.198 1.00 0.00 C ATOM 1588 O LEU A 104 2.569 4.672 -5.958 1.00 0.00 O ATOM 1589 CB LEU A 104 2.179 7.386 -4.215 1.00 0.00 C ATOM 1590 CG LEU A 104 1.718 8.840 -4.077 1.00 0.00 C ATOM 1591 CD1 LEU A 104 0.277 8.879 -3.567 1.00 0.00 C ATOM 1592 CD2 LEU A 104 2.632 9.577 -3.090 1.00 0.00 C ATOM 0 H LEU A 104 0.571 5.518 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 104 1.125 7.500 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.940 6.829 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.261 7.346 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 104 1.768 9.327 -5.051 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.047 9.915 -3.470 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.373 8.360 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.222 8.389 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.303 10.612 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.586 9.088 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.658 9.556 -3.458 1.00 0.00 H new ATOM 1604 N HIS A 105 3.179 6.419 -7.133 1.00 0.00 N ATOM 1605 CA HIS A 105 4.138 5.597 -7.923 1.00 0.00 C ATOM 1606 C HIS A 105 5.575 6.012 -7.623 1.00 0.00 C ATOM 1607 O HIS A 105 5.878 7.173 -7.433 1.00 0.00 O ATOM 1608 CB HIS A 105 3.799 5.873 -9.382 1.00 0.00 C ATOM 1609 CG HIS A 105 2.530 5.154 -9.741 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.954 5.255 -10.995 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.710 4.323 -9.018 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.837 4.505 -10.992 1.00 0.00 C ATOM 1613 NE2 HIS A 105 0.642 3.915 -9.809 1.00 0.00 N ATOM 0 H HIS A 105 3.140 7.407 -7.384 1.00 0.00 H new ATOM 0 HA HIS A 105 4.058 4.538 -7.679 1.00 0.00 H new ATOM 0 HB2 HIS A 105 3.682 6.945 -9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 105 4.613 5.541 -10.026 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.870 4.031 -7.991 1.00 0.00 H new ATOM 0 HE1 HIS A 105 0.179 4.394 -11.841 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -0.125 3.298 -9.543 1.00 0.00 H new ATOM 1621 N LEU A 106 6.461 5.061 -7.585 1.00 0.00 N ATOM 1622 CA LEU A 106 7.888 5.377 -7.301 1.00 0.00 C ATOM 1623 C LEU A 106 8.785 4.729 -8.354 1.00 0.00 C ATOM 1624 O LEU A 106 8.569 3.606 -8.763 1.00 0.00 O ATOM 1625 CB LEU A 106 8.160 4.782 -5.919 1.00 0.00 C ATOM 1626 CG LEU A 106 9.602 5.091 -5.512 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.784 6.607 -5.409 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.901 4.450 -4.155 1.00 0.00 C ATOM 0 H LEU A 106 6.259 4.073 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 106 8.090 6.448 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.466 5.198 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.997 3.704 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 106 10.285 4.689 -6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.811 6.831 -5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.571 7.065 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.100 7.005 -4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.929 4.671 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.219 4.851 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.768 3.370 -4.225 1.00 0.00 H new ATOM 1640 N GLY A 107 9.791 5.426 -8.797 1.00 0.00 N ATOM 1641 CA GLY A 107 10.698 4.846 -9.824 1.00 0.00 C ATOM 1642 C GLY A 107 11.443 3.650 -9.228 1.00 0.00 C ATOM 1643 O GLY A 107 11.614 3.545 -8.029 1.00 0.00 O ATOM 0 H GLY A 107 10.025 6.371 -8.493 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.124 4.533 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.409 5.599 -10.164 1.00 0.00 H new ATOM 1647 N ILE A 108 11.880 2.745 -10.057 1.00 0.00 N ATOM 1648 CA ILE A 108 12.608 1.555 -9.561 1.00 0.00 C ATOM 1649 C ILE A 108 13.923 1.966 -8.889 1.00 0.00 C ATOM 1650 O ILE A 108 14.250 1.508 -7.813 1.00 0.00 O ATOM 1651 CB ILE A 108 12.874 0.755 -10.830 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.547 0.265 -11.410 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.750 -0.435 -10.505 1.00 0.00 C ATOM 1654 CD1 ILE A 108 10.821 -0.600 -10.373 1.00 0.00 C ATOM 0 H ILE A 108 11.760 2.784 -11.069 1.00 0.00 H new ATOM 0 HA ILE A 108 12.052 0.993 -8.811 1.00 0.00 H new ATOM 0 HB ILE A 108 13.379 1.389 -11.558 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.925 1.115 -11.689 1.00 0.00 H new ATOM 0 HG13 ILE A 108 11.726 -0.311 -12.318 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.939 -1.006 -11.414 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.697 -0.088 -10.091 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.246 -1.069 -9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 108 9.875 -0.949 -10.788 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.442 -1.458 -10.116 1.00 0.00 H new ATOM 0 HD13 ILE A 108 10.629 -0.010 -9.477 1.00 0.00 H new ATOM 1666 N HIS A 109 14.680 2.826 -9.519 1.00 0.00 N ATOM 1667 CA HIS A 109 15.974 3.260 -8.920 1.00 0.00 C ATOM 1668 C HIS A 109 15.752 4.451 -7.984 1.00 0.00 C ATOM 1669 O HIS A 109 16.685 5.015 -7.449 1.00 0.00 O ATOM 1670 CB HIS A 109 16.839 3.667 -10.111 1.00 0.00 C ATOM 1671 CG HIS A 109 18.138 2.912 -10.071 1.00 0.00 C ATOM 1672 ND1 HIS A 109 18.921 2.731 -11.201 1.00 0.00 N ATOM 1673 CD2 HIS A 109 18.806 2.289 -9.048 1.00 0.00 C ATOM 1674 CE1 HIS A 109 20.008 2.027 -10.832 1.00 0.00 C ATOM 1675 NE2 HIS A 109 19.988 1.731 -9.532 1.00 0.00 N ATOM 0 H HIS A 109 14.457 3.246 -10.422 1.00 0.00 H new ATOM 0 HA HIS A 109 16.440 2.474 -8.325 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.314 3.458 -11.043 1.00 0.00 H new ATOM 0 HB3 HIS A 109 17.029 4.740 -10.086 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.468 2.238 -8.024 1.00 0.00 H new ATOM 0 HE1 HIS A 109 20.800 1.737 -11.507 1.00 0.00 H new ATOM 0 HE2 HIS A 109 20.688 1.208 -9.005 1.00 0.00 H new ATOM 1683 N GLN A 110 14.521 4.835 -7.785 1.00 0.00 N ATOM 1684 CA GLN A 110 14.230 5.988 -6.885 1.00 0.00 C ATOM 1685 C GLN A 110 13.850 5.484 -5.498 1.00 0.00 C ATOM 1686 O GLN A 110 13.219 6.178 -4.726 1.00 0.00 O ATOM 1687 CB GLN A 110 13.050 6.707 -7.537 1.00 0.00 C ATOM 1688 CG GLN A 110 13.484 7.272 -8.889 1.00 0.00 C ATOM 1689 CD GLN A 110 12.357 8.121 -9.488 1.00 0.00 C ATOM 1690 OE1 GLN A 110 12.498 8.644 -10.575 1.00 0.00 O ATOM 1691 NE2 GLN A 110 11.245 8.291 -8.825 1.00 0.00 N ATOM 0 H GLN A 110 13.702 4.399 -8.208 1.00 0.00 H new ATOM 0 HA GLN A 110 15.090 6.647 -6.760 1.00 0.00 H new ATOM 0 HB2 GLN A 110 12.217 6.016 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.698 7.511 -6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 110 14.382 7.878 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.738 6.458 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 110 11.124 7.853 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.498 8.862 -9.220 1.00 0.00 H new ATOM 1700 N LEU A 111 14.218 4.278 -5.175 1.00 0.00 N ATOM 1701 CA LEU A 111 13.862 3.738 -3.837 1.00 0.00 C ATOM 1702 C LEU A 111 14.517 4.578 -2.750 1.00 0.00 C ATOM 1703 O LEU A 111 15.692 4.466 -2.463 1.00 0.00 O ATOM 1704 CB LEU A 111 14.384 2.297 -3.828 1.00 0.00 C ATOM 1705 CG LEU A 111 13.480 1.355 -4.655 1.00 0.00 C ATOM 1706 CD1 LEU A 111 12.976 0.233 -3.753 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.271 2.096 -5.251 1.00 0.00 C ATOM 0 H LEU A 111 14.747 3.646 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 111 12.789 3.764 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.397 2.275 -4.230 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.441 1.937 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 111 14.073 0.958 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.337 -0.437 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.825 -0.325 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.406 0.658 -2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.662 1.397 -5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.673 2.522 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.620 2.895 -5.906 1.00 0.00 H new ATOM 1719 N GLU A 112 13.737 5.424 -2.156 1.00 0.00 N ATOM 1720 CA GLU A 112 14.239 6.321 -1.079 1.00 0.00 C ATOM 1721 C GLU A 112 13.162 7.355 -0.761 1.00 0.00 C ATOM 1722 O GLU A 112 13.091 7.879 0.332 1.00 0.00 O ATOM 1723 CB GLU A 112 15.468 7.010 -1.664 1.00 0.00 C ATOM 1724 CG GLU A 112 15.118 7.525 -3.055 1.00 0.00 C ATOM 1725 CD GLU A 112 16.167 8.541 -3.510 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.155 8.123 -4.089 1.00 0.00 O ATOM 1727 OE2 GLU A 112 15.961 9.721 -3.274 1.00 0.00 O ATOM 0 H GLU A 112 12.747 5.538 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 112 14.481 5.784 -0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.781 7.834 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.304 6.312 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.073 6.695 -3.760 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.131 7.988 -3.044 1.00 0.00 H new ATOM 1734 N GLN A 113 12.318 7.647 -1.720 1.00 0.00 N ATOM 1735 CA GLN A 113 11.231 8.638 -1.484 1.00 0.00 C ATOM 1736 C GLN A 113 10.069 7.959 -0.758 1.00 0.00 C ATOM 1737 O GLN A 113 9.134 8.597 -0.329 1.00 0.00 O ATOM 1738 CB GLN A 113 10.801 9.096 -2.876 1.00 0.00 C ATOM 1739 CG GLN A 113 11.822 10.097 -3.422 1.00 0.00 C ATOM 1740 CD GLN A 113 11.523 10.383 -4.894 1.00 0.00 C ATOM 1741 OE1 GLN A 113 10.412 10.201 -5.346 1.00 0.00 O ATOM 1742 NE2 GLN A 113 12.476 10.826 -5.667 1.00 0.00 N ATOM 0 H GLN A 113 12.338 7.240 -2.655 1.00 0.00 H new ATOM 0 HA GLN A 113 11.554 9.477 -0.867 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.723 8.239 -3.545 1.00 0.00 H new ATOM 0 HB3 GLN A 113 9.814 9.556 -2.830 1.00 0.00 H new ATOM 0 HG2 GLN A 113 11.784 11.022 -2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 113 12.831 9.697 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.410 10.979 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN A 113 12.287 11.019 -6.651 1.00 0.00 H new ATOM 1751 N LEU A 114 10.130 6.663 -0.617 1.00 0.00 N ATOM 1752 CA LEU A 114 9.040 5.929 0.081 1.00 0.00 C ATOM 1753 C LEU A 114 8.602 6.659 1.356 1.00 0.00 C ATOM 1754 O LEU A 114 7.426 6.828 1.574 1.00 0.00 O ATOM 1755 CB LEU A 114 9.640 4.567 0.430 1.00 0.00 C ATOM 1756 CG LEU A 114 9.746 3.702 -0.830 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.217 3.417 -1.146 1.00 0.00 C ATOM 1758 CD2 LEU A 114 9.017 2.379 -0.592 1.00 0.00 C ATOM 0 H LEU A 114 10.893 6.079 -0.958 1.00 0.00 H new ATOM 0 HA LEU A 114 8.151 5.846 -0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.626 4.698 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.019 4.067 1.173 1.00 0.00 H new ATOM 0 HG LEU A 114 9.295 4.231 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.284 2.802 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.742 4.358 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.673 2.889 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 114 9.089 1.758 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.474 1.858 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.968 2.576 -0.370 1.00 0.00 H new ATOM 1770 N PRO A 115 9.542 7.068 2.174 1.00 0.00 N ATOM 1771 CA PRO A 115 9.174 7.764 3.432 1.00 0.00 C ATOM 1772 C PRO A 115 8.466 9.074 3.107 1.00 0.00 C ATOM 1773 O PRO A 115 7.345 9.300 3.520 1.00 0.00 O ATOM 1774 CB PRO A 115 10.514 7.985 4.131 1.00 0.00 C ATOM 1775 CG PRO A 115 11.517 7.951 3.027 1.00 0.00 C ATOM 1776 CD PRO A 115 10.997 6.946 2.033 1.00 0.00 C ATOM 0 HA PRO A 115 8.483 7.204 4.063 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.535 8.939 4.658 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.710 7.208 4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.628 8.934 2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.499 7.661 3.400 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.325 7.174 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.342 5.937 2.260 1.00 0.00 H new ATOM 1784 N TYR A 116 9.087 9.925 2.346 1.00 0.00 N ATOM 1785 CA TYR A 116 8.412 11.194 1.976 1.00 0.00 C ATOM 1786 C TYR A 116 7.163 10.848 1.152 1.00 0.00 C ATOM 1787 O TYR A 116 6.168 11.543 1.186 1.00 0.00 O ATOM 1788 CB TYR A 116 9.473 11.985 1.192 1.00 0.00 C ATOM 1789 CG TYR A 116 9.020 12.284 -0.218 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.066 13.280 -0.457 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.574 11.573 -1.287 1.00 0.00 C ATOM 1792 CE1 TYR A 116 7.669 13.563 -1.770 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.175 11.853 -2.599 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.223 12.851 -2.840 1.00 0.00 C ATOM 1795 OH TYR A 116 7.834 13.131 -4.134 1.00 0.00 O ATOM 0 H TYR A 116 10.025 9.799 1.967 1.00 0.00 H new ATOM 0 HA TYR A 116 8.062 11.792 2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 116 9.687 12.919 1.711 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.402 11.416 1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 116 7.637 13.829 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.311 10.806 -1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 116 6.934 14.332 -1.957 1.00 0.00 H new ATOM 0 HE2 TYR A 116 9.601 11.300 -3.424 1.00 0.00 H new ATOM 0 HH TYR A 116 8.316 12.546 -4.755 1.00 0.00 H new ATOM 1805 N GLN A 117 7.204 9.748 0.443 1.00 0.00 N ATOM 1806 CA GLN A 117 6.017 9.318 -0.349 1.00 0.00 C ATOM 1807 C GLN A 117 4.962 8.768 0.607 1.00 0.00 C ATOM 1808 O GLN A 117 3.783 9.006 0.462 1.00 0.00 O ATOM 1809 CB GLN A 117 6.520 8.196 -1.263 1.00 0.00 C ATOM 1810 CG GLN A 117 7.463 8.769 -2.318 1.00 0.00 C ATOM 1811 CD GLN A 117 6.721 8.882 -3.651 1.00 0.00 C ATOM 1812 OE1 GLN A 117 6.328 7.887 -4.228 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.507 10.061 -4.166 1.00 0.00 N ATOM 0 H GLN A 117 8.012 9.129 0.380 1.00 0.00 H new ATOM 0 HA GLN A 117 5.576 10.136 -0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.037 7.439 -0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.676 7.703 -1.746 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.824 9.749 -2.006 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.337 8.127 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.837 10.896 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.010 10.148 -5.053 1.00 0.00 H new ATOM 1822 N VAL A 118 5.394 8.029 1.588 1.00 0.00 N ATOM 1823 CA VAL A 118 4.441 7.452 2.575 1.00 0.00 C ATOM 1824 C VAL A 118 3.734 8.585 3.322 1.00 0.00 C ATOM 1825 O VAL A 118 2.540 8.542 3.535 1.00 0.00 O ATOM 1826 CB VAL A 118 5.315 6.603 3.508 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.636 6.440 4.868 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.518 5.220 2.881 1.00 0.00 C ATOM 0 H VAL A 118 6.374 7.798 1.750 1.00 0.00 H new ATOM 0 HA VAL A 118 3.656 6.848 2.120 1.00 0.00 H new ATOM 0 HB VAL A 118 6.275 7.100 3.647 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.267 5.836 5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.483 7.421 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.673 5.947 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.138 4.610 3.538 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.550 4.737 2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.010 5.327 1.914 1.00 0.00 H new ATOM 1838 N ASP A 119 4.447 9.615 3.697 1.00 0.00 N ATOM 1839 CA ASP A 119 3.774 10.748 4.392 1.00 0.00 C ATOM 1840 C ASP A 119 2.820 11.420 3.408 1.00 0.00 C ATOM 1841 O ASP A 119 1.694 11.741 3.729 1.00 0.00 O ATOM 1842 CB ASP A 119 4.889 11.721 4.790 1.00 0.00 C ATOM 1843 CG ASP A 119 5.881 11.022 5.719 1.00 0.00 C ATOM 1844 OD1 ASP A 119 5.506 10.022 6.309 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.997 11.501 5.827 1.00 0.00 O ATOM 0 H ASP A 119 5.452 9.719 3.554 1.00 0.00 H new ATOM 0 HA ASP A 119 3.206 10.425 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.404 12.082 3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.463 12.592 5.288 1.00 0.00 H new ATOM 1850 N ALA A 120 3.268 11.613 2.194 1.00 0.00 N ATOM 1851 CA ALA A 120 2.397 12.241 1.162 1.00 0.00 C ATOM 1852 C ALA A 120 1.268 11.278 0.799 1.00 0.00 C ATOM 1853 O ALA A 120 0.112 11.645 0.741 1.00 0.00 O ATOM 1854 CB ALA A 120 3.304 12.458 -0.050 1.00 0.00 C ATOM 0 H ALA A 120 4.203 11.361 1.874 1.00 0.00 H new ATOM 0 HA ALA A 120 1.948 13.172 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 120 2.732 12.919 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.131 13.111 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.696 11.499 -0.387 1.00 0.00 H new ATOM 1860 N ALA A 121 1.608 10.042 0.554 1.00 0.00 N ATOM 1861 CA ALA A 121 0.579 9.033 0.190 1.00 0.00 C ATOM 1862 C ALA A 121 -0.475 8.937 1.292 1.00 0.00 C ATOM 1863 O ALA A 121 -1.630 8.664 1.037 1.00 0.00 O ATOM 1864 CB ALA A 121 1.358 7.722 0.063 1.00 0.00 C ATOM 0 H ALA A 121 2.564 9.687 0.591 1.00 0.00 H new ATOM 0 HA ALA A 121 0.047 9.283 -0.728 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.674 6.917 -0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.119 7.824 -0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.837 7.490 1.014 1.00 0.00 H new ATOM 1870 N LEU A 122 -0.090 9.169 2.517 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.081 9.101 3.627 1.00 0.00 C ATOM 1872 C LEU A 122 -2.055 10.266 3.514 1.00 0.00 C ATOM 1873 O LEU A 122 -3.254 10.087 3.426 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.260 9.239 4.910 1.00 0.00 C ATOM 1875 CG LEU A 122 0.542 7.965 5.164 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.786 8.308 5.986 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.324 6.979 5.948 1.00 0.00 C ATOM 0 H LEU A 122 0.863 9.402 2.796 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.658 8.177 3.607 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.414 10.091 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.921 9.435 5.754 1.00 0.00 H new ATOM 0 HG LEU A 122 0.841 7.521 4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.362 7.401 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.399 9.022 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.484 8.745 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.242 6.066 6.134 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.614 7.426 6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.218 6.741 5.371 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.545 11.462 3.504 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.436 12.639 3.384 1.00 0.00 C ATOM 1891 C ALA A 123 -3.096 12.631 2.009 1.00 0.00 C ATOM 1892 O ALA A 123 -4.239 13.011 1.855 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.522 13.849 3.539 1.00 0.00 C ATOM 0 H ALA A 123 -0.550 11.673 3.574 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.232 12.645 4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -2.111 14.763 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -1.034 13.814 4.513 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.766 13.837 2.754 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.386 12.187 1.005 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.986 12.143 -0.354 1.00 0.00 C ATOM 1901 C GLU A 124 -4.136 11.135 -0.362 1.00 0.00 C ATOM 1902 O GLU A 124 -5.158 11.353 -0.980 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.857 11.686 -1.283 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.178 12.063 -2.735 1.00 0.00 C ATOM 1905 CD GLU A 124 -3.651 11.773 -3.042 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -4.010 10.608 -3.067 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -4.394 12.720 -3.247 1.00 0.00 O ATOM 0 H GLU A 124 -1.423 11.856 1.070 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.389 13.106 -0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.917 12.148 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.723 10.607 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.965 13.119 -2.900 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -1.539 11.499 -3.415 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.975 10.031 0.323 1.00 0.00 N ATOM 1915 CA PHE A 125 -5.065 9.013 0.349 1.00 0.00 C ATOM 1916 C PHE A 125 -6.305 9.572 1.059 1.00 0.00 C ATOM 1917 O PHE A 125 -7.419 9.387 0.610 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.482 7.820 1.112 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.471 6.677 1.098 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.485 5.772 0.029 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -6.376 6.520 2.156 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.402 4.715 0.017 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -7.293 5.462 2.143 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.306 4.560 1.074 1.00 0.00 C ATOM 0 H PHE A 125 -3.142 9.793 0.861 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.387 8.729 -0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.543 7.507 0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -4.257 8.107 2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.787 5.890 -0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -6.366 7.216 2.982 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.412 4.019 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -7.991 5.342 2.959 1.00 0.00 H new ATOM 0 HZ PHE A 125 -8.014 3.744 1.064 1.00 0.00 H new ATOM 1934 N LEU A 126 -6.129 10.255 2.159 1.00 0.00 N ATOM 1935 CA LEU A 126 -7.312 10.818 2.876 1.00 0.00 C ATOM 1936 C LEU A 126 -8.022 11.855 2.001 1.00 0.00 C ATOM 1937 O LEU A 126 -9.230 11.853 1.875 1.00 0.00 O ATOM 1938 CB LEU A 126 -6.744 11.480 4.129 1.00 0.00 C ATOM 1939 CG LEU A 126 -6.059 10.430 5.005 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -5.459 11.110 6.235 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -7.085 9.387 5.454 1.00 0.00 C ATOM 0 H LEU A 126 -5.225 10.447 2.590 1.00 0.00 H new ATOM 0 HA LEU A 126 -8.046 10.049 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.031 12.255 3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.543 11.968 4.688 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.270 9.941 4.434 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.970 10.364 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.728 11.854 5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.251 11.598 6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.595 8.640 6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.874 9.876 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.517 8.902 4.579 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.279 12.741 1.394 1.00 0.00 N ATOM 1954 CA ARG A 127 -7.912 13.776 0.526 1.00 0.00 C ATOM 1955 C ARG A 127 -8.727 13.096 -0.578 1.00 0.00 C ATOM 1956 O ARG A 127 -9.738 13.603 -1.019 1.00 0.00 O ATOM 1957 CB ARG A 127 -6.742 14.560 -0.071 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.270 15.745 -0.885 1.00 0.00 C ATOM 1959 CD ARG A 127 -7.683 16.880 0.053 1.00 0.00 C ATOM 1960 NE ARG A 127 -8.297 17.903 -0.841 1.00 0.00 N ATOM 1961 CZ ARG A 127 -8.743 19.025 -0.346 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -8.656 19.256 0.935 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -9.271 19.919 -1.137 1.00 0.00 N ATOM 0 H ARG A 127 -6.263 12.793 1.461 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.594 14.425 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.088 14.917 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.143 13.908 -0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -6.502 16.094 -1.575 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.122 15.432 -1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -8.392 16.534 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.824 17.285 0.587 1.00 0.00 H new ATOM 0 HE ARG A 127 -8.369 17.725 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.239 18.559 1.552 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -9.005 20.134 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -9.334 19.740 -2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -9.620 20.797 -0.753 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.290 11.950 -1.026 1.00 0.00 N ATOM 1978 CA LEU A 128 -9.034 11.229 -2.100 1.00 0.00 C ATOM 1979 C LEU A 128 -9.933 10.150 -1.499 1.00 0.00 C ATOM 1980 O LEU A 128 -10.711 9.523 -2.190 1.00 0.00 O ATOM 1981 CB LEU A 128 -7.950 10.615 -2.980 1.00 0.00 C ATOM 1982 CG LEU A 128 -8.571 10.098 -4.281 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -9.490 11.160 -4.883 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -7.457 9.782 -5.278 1.00 0.00 C ATOM 0 H LEU A 128 -7.448 11.480 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.690 11.890 -2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -7.184 11.358 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.458 9.799 -2.451 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.151 9.200 -4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -9.926 10.782 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.286 11.396 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -8.915 12.061 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -7.893 9.413 -6.206 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -6.883 10.686 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -6.799 9.021 -4.859 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.838 9.928 -0.218 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.694 8.889 0.416 1.00 0.00 C ATOM 1998 C ALA A 129 -12.150 9.373 0.483 1.00 0.00 C ATOM 1999 O ALA A 129 -12.402 10.513 0.814 1.00 0.00 O ATOM 2000 CB ALA A 129 -10.128 8.708 1.822 1.00 0.00 C ATOM 0 H ALA A 129 -9.207 10.419 0.415 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.692 7.955 -0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.709 7.955 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -9.089 8.386 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -10.182 9.654 2.360 1.00 0.00 H new ATOM 2006 N PRO A 130 -13.067 8.490 0.174 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.715 7.105 -0.227 1.00 0.00 C ATOM 2008 C PRO A 130 -12.262 7.077 -1.694 1.00 0.00 C ATOM 2009 O PRO A 130 -13.040 7.332 -2.592 1.00 0.00 O ATOM 2010 CB PRO A 130 -14.020 6.339 -0.040 1.00 0.00 C ATOM 2011 CG PRO A 130 -15.105 7.363 -0.169 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.518 8.709 0.176 1.00 0.00 C ATOM 0 HA PRO A 130 -11.894 6.681 0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.127 5.556 -0.791 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -14.053 5.852 0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.504 7.370 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.934 7.126 0.498 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.806 9.466 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.866 9.056 1.149 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.015 6.768 -1.950 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.541 6.728 -3.363 1.00 0.00 C ATOM 2022 C VAL A 131 -11.330 5.665 -4.128 1.00 0.00 C ATOM 2023 O VAL A 131 -12.041 4.870 -3.544 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.053 6.361 -3.293 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.253 7.534 -2.719 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -8.877 5.145 -2.389 1.00 0.00 C ATOM 0 H VAL A 131 -10.311 6.544 -1.246 1.00 0.00 H new ATOM 0 HA VAL A 131 -10.683 7.678 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.692 6.135 -4.296 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.197 7.266 -2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.378 8.407 -3.359 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -8.614 7.764 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.821 4.881 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.243 5.379 -1.389 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.441 4.305 -2.795 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.221 5.644 -5.425 1.00 0.00 N ATOM 2037 CA GLU A 132 -11.978 4.634 -6.213 1.00 0.00 C ATOM 2038 C GLU A 132 -11.088 3.437 -6.537 1.00 0.00 C ATOM 2039 O GLU A 132 -10.168 3.527 -7.325 1.00 0.00 O ATOM 2040 CB GLU A 132 -12.388 5.364 -7.488 1.00 0.00 C ATOM 2041 CG GLU A 132 -13.288 6.542 -7.118 1.00 0.00 C ATOM 2042 CD GLU A 132 -13.712 7.279 -8.388 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -13.609 6.692 -9.450 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -14.136 8.417 -8.276 1.00 0.00 O ATOM 0 H GLU A 132 -10.642 6.280 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 132 -12.839 4.244 -5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.505 5.717 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.914 4.684 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -14.167 6.187 -6.580 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.759 7.222 -6.450 1.00 0.00 H new ATOM 2051 N THR A 133 -11.360 2.313 -5.939 1.00 0.00 N ATOM 2052 CA THR A 133 -10.536 1.108 -6.214 1.00 0.00 C ATOM 2053 C THR A 133 -11.192 0.283 -7.325 1.00 0.00 C ATOM 2054 O THR A 133 -12.227 -0.321 -7.132 1.00 0.00 O ATOM 2055 CB THR A 133 -10.523 0.337 -4.891 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.734 0.588 -4.189 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.338 0.792 -4.040 1.00 0.00 C ATOM 0 H THR A 133 -12.119 2.177 -5.271 1.00 0.00 H new ATOM 0 HA THR A 133 -9.527 1.347 -6.549 1.00 0.00 H new ATOM 0 HB THR A 133 -10.431 -0.730 -5.095 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.730 0.095 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.333 0.241 -3.100 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.409 0.601 -4.578 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.426 1.859 -3.835 1.00 0.00 H new ATOM 2065 N MET A 134 -10.601 0.258 -8.488 1.00 0.00 N ATOM 2066 CA MET A 134 -11.199 -0.521 -9.607 1.00 0.00 C ATOM 2067 C MET A 134 -10.582 -1.920 -9.666 1.00 0.00 C ATOM 2068 O MET A 134 -10.098 -2.355 -10.691 1.00 0.00 O ATOM 2069 CB MET A 134 -10.866 0.273 -10.871 1.00 0.00 C ATOM 2070 CG MET A 134 -11.588 1.623 -10.829 1.00 0.00 C ATOM 2071 SD MET A 134 -11.477 2.426 -12.448 1.00 0.00 S ATOM 2072 CE MET A 134 -9.697 2.749 -12.427 1.00 0.00 C ATOM 0 H MET A 134 -9.732 0.743 -8.711 1.00 0.00 H new ATOM 0 HA MET A 134 -12.274 -0.656 -9.488 1.00 0.00 H new ATOM 0 HB2 MET A 134 -9.789 0.426 -10.944 1.00 0.00 H new ATOM 0 HB3 MET A 134 -11.169 -0.287 -11.756 1.00 0.00 H new ATOM 0 HG2 MET A 134 -12.633 1.479 -10.555 1.00 0.00 H new ATOM 0 HG3 MET A 134 -11.143 2.261 -10.065 1.00 0.00 H new ATOM 0 HE1 MET A 134 -9.461 3.535 -13.144 1.00 0.00 H new ATOM 0 HE2 MET A 134 -9.397 3.066 -11.428 1.00 0.00 H new ATOM 0 HE3 MET A 134 -9.159 1.840 -12.696 1.00 0.00 H new ATOM 2082 N ALA A 135 -10.596 -2.623 -8.567 1.00 0.00 N ATOM 2083 CA ALA A 135 -10.010 -3.995 -8.548 1.00 0.00 C ATOM 2084 C ALA A 135 -10.896 -4.968 -9.334 1.00 0.00 C ATOM 2085 O ALA A 135 -12.081 -4.700 -9.453 1.00 0.00 O ATOM 2086 CB ALA A 135 -9.964 -4.380 -7.069 1.00 0.00 C ATOM 2087 OXT ALA A 135 -10.373 -5.967 -9.803 1.00 0.00 O ATOM 0 H ALA A 135 -10.988 -2.307 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.024 -4.030 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -9.544 -5.381 -6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.342 -3.668 -6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.973 -4.367 -6.658 1.00 0.00 H new