USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 838 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 57 THR OG1 : rot 48:sc= 0.426 USER MOD Set 1.2: A 108 SER OG : rot -33:sc=-0.00529 USER MOD Set 2.1: A 32 THR OG1 : rot 89:sc= -0.981! USER MOD Set 2.2: A 34 HIS : no HE2:sc= -3.36! C(o=-4.3!,f=-8.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00277 USER MOD Single : A 3 SER OG : rot 15:sc= 0.952 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.385 K(o=-0.39,f=-0.9) USER MOD Single : A 15 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.4!) USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= -0.269 (180deg=-2.44!) USER MOD Single : A 25 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.53) USER MOD Single : A 50 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -7:sc= 0.96 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 74 SER OG : rot -80:sc= 1.2 USER MOD Single : A 78 MET CE :methyl 147:sc= -7.9! (180deg=-11.2!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 136:sc= -2.52! (180deg=-5.02!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot -2:sc= -0.0026 USER MOD Single : A 85 TYR OH : rot -35:sc= 1.1 USER MOD Single : A 86 TYR OH : rot 167:sc= -6.39! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.465 K(o=-0.47,f=-1.6!) USER MOD Single : A 93 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.3!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 103 GLN : amide:sc=-0.00909 K(o=-0.0091,f=-1.2) USER MOD Single : A 111 SER OG : rot 23:sc= 0.455 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.081 -8.072 -13.927 1.00 0.00 N ATOM 2 CA GLY A 1 24.293 -7.511 -13.356 1.00 0.00 C ATOM 3 C GLY A 1 23.963 -6.485 -12.270 1.00 0.00 C ATOM 4 O GLY A 1 23.349 -5.456 -12.549 1.00 0.00 O ATOM 0 H1 GLY A 1 23.331 -8.765 -14.661 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.531 -8.542 -13.180 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.512 -7.311 -14.349 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.904 -8.309 -12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.884 -7.038 -14.140 1.00 0.00 H new ATOM 8 N SER A 2 24.385 -6.801 -11.054 1.00 0.00 N ATOM 9 CA SER A 2 24.142 -5.919 -9.925 1.00 0.00 C ATOM 10 C SER A 2 25.328 -4.971 -9.737 1.00 0.00 C ATOM 11 O SER A 2 26.409 -5.208 -10.275 1.00 0.00 O ATOM 12 CB SER A 2 23.894 -6.719 -8.645 1.00 0.00 C ATOM 13 OG SER A 2 24.877 -7.733 -8.450 1.00 0.00 O ATOM 0 H SER A 2 24.894 -7.655 -10.826 1.00 0.00 H new ATOM 0 HA SER A 2 23.247 -5.334 -10.135 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.895 -6.044 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.905 -7.176 -8.689 1.00 0.00 H new ATOM 0 HG SER A 2 24.685 -8.220 -7.622 1.00 0.00 H new ATOM 19 N SER A 3 25.086 -3.917 -8.972 1.00 0.00 N ATOM 20 CA SER A 3 26.121 -2.932 -8.706 1.00 0.00 C ATOM 21 C SER A 3 25.765 -2.123 -7.457 1.00 0.00 C ATOM 22 O SER A 3 24.793 -1.370 -7.456 1.00 0.00 O ATOM 23 CB SER A 3 26.314 -1.999 -9.904 1.00 0.00 C ATOM 24 OG SER A 3 25.241 -1.072 -10.037 1.00 0.00 O ATOM 0 H SER A 3 24.188 -3.723 -8.528 1.00 0.00 H new ATOM 0 HA SER A 3 27.059 -3.460 -8.535 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.252 -1.455 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.396 -2.591 -10.815 1.00 0.00 H new ATOM 0 HG SER A 3 24.713 -1.062 -9.211 1.00 0.00 H new ATOM 30 N GLY A 4 26.572 -2.308 -6.422 1.00 0.00 N ATOM 31 CA GLY A 4 26.355 -1.605 -5.169 1.00 0.00 C ATOM 32 C GLY A 4 26.649 -0.111 -5.320 1.00 0.00 C ATOM 33 O GLY A 4 27.644 0.270 -5.935 1.00 0.00 O ATOM 0 H GLY A 4 27.377 -2.935 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.324 -1.745 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.995 -2.029 -4.395 1.00 0.00 H new ATOM 37 N SER A 5 25.767 0.694 -4.747 1.00 0.00 N ATOM 38 CA SER A 5 25.919 2.137 -4.810 1.00 0.00 C ATOM 39 C SER A 5 26.644 2.642 -3.561 1.00 0.00 C ATOM 40 O SER A 5 26.803 1.903 -2.590 1.00 0.00 O ATOM 41 CB SER A 5 24.562 2.829 -4.952 1.00 0.00 C ATOM 42 OG SER A 5 24.439 3.514 -6.196 1.00 0.00 O ATOM 0 H SER A 5 24.944 0.374 -4.237 1.00 0.00 H new ATOM 0 HA SER A 5 26.514 2.379 -5.691 1.00 0.00 H new ATOM 0 HB2 SER A 5 23.767 2.089 -4.866 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.429 3.537 -4.134 1.00 0.00 H new ATOM 0 HG SER A 5 23.558 3.941 -6.249 1.00 0.00 H new ATOM 48 N SER A 6 27.065 3.897 -3.626 1.00 0.00 N ATOM 49 CA SER A 6 27.769 4.509 -2.512 1.00 0.00 C ATOM 50 C SER A 6 27.087 5.820 -2.119 1.00 0.00 C ATOM 51 O SER A 6 26.568 6.535 -2.974 1.00 0.00 O ATOM 52 CB SER A 6 29.238 4.758 -2.860 1.00 0.00 C ATOM 53 OG SER A 6 29.409 5.936 -3.643 1.00 0.00 O ATOM 0 H SER A 6 26.932 4.506 -4.433 1.00 0.00 H new ATOM 0 HA SER A 6 27.735 3.822 -1.666 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.818 4.846 -1.941 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.632 3.900 -3.405 1.00 0.00 H new ATOM 0 HG SER A 6 30.360 6.061 -3.843 1.00 0.00 H new ATOM 59 N GLY A 7 27.110 6.097 -0.823 1.00 0.00 N ATOM 60 CA GLY A 7 26.500 7.309 -0.306 1.00 0.00 C ATOM 61 C GLY A 7 25.113 7.022 0.274 1.00 0.00 C ATOM 62 O GLY A 7 24.132 6.944 -0.464 1.00 0.00 O ATOM 0 H GLY A 7 27.542 5.502 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 7 27.138 7.741 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.419 8.048 -1.103 1.00 0.00 H new ATOM 66 N PRO A 8 25.075 6.868 1.624 1.00 0.00 N ATOM 67 CA PRO A 8 23.825 6.591 2.311 1.00 0.00 C ATOM 68 C PRO A 8 22.955 7.847 2.395 1.00 0.00 C ATOM 69 O PRO A 8 23.443 8.958 2.195 1.00 0.00 O ATOM 70 CB PRO A 8 24.235 6.060 3.675 1.00 0.00 C ATOM 71 CG PRO A 8 25.678 6.493 3.875 1.00 0.00 C ATOM 72 CD PRO A 8 26.217 6.953 2.530 1.00 0.00 C ATOM 0 HA PRO A 8 23.208 5.863 1.784 1.00 0.00 H new ATOM 0 HB2 PRO A 8 23.594 6.463 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 8 24.144 4.975 3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 8 25.737 7.299 4.606 1.00 0.00 H new ATOM 0 HG3 PRO A 8 26.274 5.667 4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 8 26.604 7.971 2.585 1.00 0.00 H new ATOM 0 HD3 PRO A 8 27.037 6.318 2.194 1.00 0.00 H new ATOM 80 N PHE A 9 21.683 7.628 2.691 1.00 0.00 N ATOM 81 CA PHE A 9 20.740 8.728 2.804 1.00 0.00 C ATOM 82 C PHE A 9 19.612 8.386 3.779 1.00 0.00 C ATOM 83 O PHE A 9 19.241 7.222 3.920 1.00 0.00 O ATOM 84 CB PHE A 9 20.146 8.952 1.413 1.00 0.00 C ATOM 85 CG PHE A 9 20.110 10.419 0.980 1.00 0.00 C ATOM 86 CD1 PHE A 9 21.160 11.237 1.262 1.00 0.00 C ATOM 87 CD2 PHE A 9 19.029 10.906 0.313 1.00 0.00 C ATOM 88 CE1 PHE A 9 21.127 12.599 0.860 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.996 12.268 -0.088 1.00 0.00 C ATOM 90 CZ PHE A 9 20.046 13.085 0.194 1.00 0.00 C ATOM 0 H PHE A 9 21.283 6.705 2.856 1.00 0.00 H new ATOM 0 HA PHE A 9 21.248 9.617 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 9 20.726 8.383 0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 9 19.132 8.553 1.394 1.00 0.00 H new ATOM 0 HD1 PHE A 9 22.018 10.851 1.791 1.00 0.00 H new ATOM 0 HD2 PHE A 9 18.196 10.257 0.088 1.00 0.00 H new ATOM 0 HE1 PHE A 9 21.961 13.248 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.137 12.655 -0.617 1.00 0.00 H new ATOM 0 HZ PHE A 9 20.021 14.121 -0.111 1.00 0.00 H new ATOM 100 N CYS A 10 19.098 9.421 4.426 1.00 0.00 N ATOM 101 CA CYS A 10 18.019 9.245 5.384 1.00 0.00 C ATOM 102 C CYS A 10 16.710 9.086 4.609 1.00 0.00 C ATOM 103 O CYS A 10 16.589 9.567 3.483 1.00 0.00 O ATOM 104 CB CYS A 10 17.955 10.402 6.383 1.00 0.00 C ATOM 105 SG CYS A 10 17.731 9.753 8.079 1.00 0.00 S ATOM 0 H CYS A 10 19.408 10.385 4.306 1.00 0.00 H new ATOM 0 HA CYS A 10 18.199 8.349 5.978 1.00 0.00 H new ATOM 0 HB2 CYS A 10 18.870 10.992 6.328 1.00 0.00 H new ATOM 0 HB3 CYS A 10 17.131 11.068 6.128 1.00 0.00 H new ATOM 0 HG CYS A 10 17.680 10.743 8.919 1.00 0.00 H new ATOM 111 N ALA A 11 15.763 8.410 5.242 1.00 0.00 N ATOM 112 CA ALA A 11 14.467 8.181 4.626 1.00 0.00 C ATOM 113 C ALA A 11 13.768 9.524 4.405 1.00 0.00 C ATOM 114 O ALA A 11 13.961 10.462 5.177 1.00 0.00 O ATOM 115 CB ALA A 11 13.645 7.233 5.501 1.00 0.00 C ATOM 0 H ALA A 11 15.867 8.013 6.176 1.00 0.00 H new ATOM 0 HA ALA A 11 14.584 7.706 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.673 7.062 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.171 6.284 5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.505 7.677 6.486 1.00 0.00 H new ATOM 121 N MET A 12 12.972 9.574 3.348 1.00 0.00 N ATOM 122 CA MET A 12 12.243 10.787 3.016 1.00 0.00 C ATOM 123 C MET A 12 10.887 10.458 2.388 1.00 0.00 C ATOM 124 O MET A 12 10.808 9.659 1.456 1.00 0.00 O ATOM 125 CB MET A 12 13.068 11.627 2.038 1.00 0.00 C ATOM 126 CG MET A 12 13.016 13.110 2.410 1.00 0.00 C ATOM 127 SD MET A 12 12.738 14.096 0.948 1.00 0.00 S ATOM 128 CE MET A 12 14.304 14.946 0.845 1.00 0.00 C ATOM 0 H MET A 12 12.815 8.794 2.710 1.00 0.00 H new ATOM 0 HA MET A 12 12.070 11.347 3.935 1.00 0.00 H new ATOM 0 HB2 MET A 12 14.103 11.284 2.041 1.00 0.00 H new ATOM 0 HB3 MET A 12 12.689 11.489 1.025 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.219 13.284 3.133 1.00 0.00 H new ATOM 0 HG3 MET A 12 13.950 13.407 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.302 15.609 -0.020 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.460 15.532 1.751 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.108 14.217 0.741 1.00 0.00 H new ATOM 138 N GLU A 13 9.854 11.090 2.925 1.00 0.00 N ATOM 139 CA GLU A 13 8.505 10.874 2.429 1.00 0.00 C ATOM 140 C GLU A 13 8.136 11.953 1.409 1.00 0.00 C ATOM 141 O GLU A 13 8.465 13.124 1.591 1.00 0.00 O ATOM 142 CB GLU A 13 7.497 10.840 3.580 1.00 0.00 C ATOM 143 CG GLU A 13 7.300 9.413 4.094 1.00 0.00 C ATOM 144 CD GLU A 13 6.117 8.737 3.398 1.00 0.00 C ATOM 145 OE1 GLU A 13 5.995 8.933 2.169 1.00 0.00 O ATOM 146 OE2 GLU A 13 5.362 8.040 4.109 1.00 0.00 O ATOM 0 H GLU A 13 9.924 11.751 3.698 1.00 0.00 H new ATOM 0 HA GLU A 13 8.472 9.905 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.845 11.478 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.542 11.244 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.207 8.833 3.923 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.131 9.431 5.171 1.00 0.00 H new ATOM 153 N ASN A 14 7.457 11.519 0.357 1.00 0.00 N ATOM 154 CA ASN A 14 7.039 12.433 -0.693 1.00 0.00 C ATOM 155 C ASN A 14 6.337 11.644 -1.800 1.00 0.00 C ATOM 156 O ASN A 14 6.332 10.414 -1.783 1.00 0.00 O ATOM 157 CB ASN A 14 8.242 13.147 -1.312 1.00 0.00 C ATOM 158 CG ASN A 14 9.419 12.186 -1.490 1.00 0.00 C ATOM 159 OD1 ASN A 14 10.300 12.080 -0.653 1.00 0.00 O ATOM 160 ND2 ASN A 14 9.384 11.492 -2.625 1.00 0.00 N ATOM 0 H ASN A 14 7.186 10.547 0.209 1.00 0.00 H new ATOM 0 HA ASN A 14 6.369 13.171 -0.251 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.962 13.568 -2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.541 13.980 -0.676 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.124 10.823 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.617 11.629 -3.283 1.00 0.00 H new ATOM 167 N GLN A 15 5.761 12.384 -2.736 1.00 0.00 N ATOM 168 CA GLN A 15 5.058 11.769 -3.849 1.00 0.00 C ATOM 169 C GLN A 15 3.857 10.969 -3.340 1.00 0.00 C ATOM 170 O GLN A 15 3.904 10.397 -2.252 1.00 0.00 O ATOM 171 CB GLN A 15 5.998 10.886 -4.671 1.00 0.00 C ATOM 172 CG GLN A 15 5.450 10.667 -6.083 1.00 0.00 C ATOM 173 CD GLN A 15 6.074 11.654 -7.072 1.00 0.00 C ATOM 174 OE1 GLN A 15 6.716 12.623 -6.700 1.00 0.00 O ATOM 175 NE2 GLN A 15 5.849 11.355 -8.348 1.00 0.00 N ATOM 0 H GLN A 15 5.767 13.404 -2.746 1.00 0.00 H new ATOM 0 HA GLN A 15 4.692 12.559 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.983 11.350 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.127 9.925 -4.174 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.657 9.646 -6.403 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.367 10.786 -6.079 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.303 10.528 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.223 11.953 -9.085 1.00 0.00 H new ATOM 184 N VAL A 16 2.810 10.953 -4.151 1.00 0.00 N ATOM 185 CA VAL A 16 1.599 10.232 -3.797 1.00 0.00 C ATOM 186 C VAL A 16 1.916 8.740 -3.680 1.00 0.00 C ATOM 187 O VAL A 16 3.060 8.328 -3.865 1.00 0.00 O ATOM 188 CB VAL A 16 0.495 10.531 -4.814 1.00 0.00 C ATOM 189 CG1 VAL A 16 0.297 12.039 -4.980 1.00 0.00 C ATOM 190 CG2 VAL A 16 0.794 9.866 -6.159 1.00 0.00 C ATOM 0 H VAL A 16 2.775 11.428 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 16 1.227 10.563 -2.827 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.435 10.111 -4.432 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.493 12.224 -5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.017 12.477 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.225 12.492 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.006 10.094 -6.864 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.740 10.243 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.862 8.786 -6.024 1.00 0.00 H new ATOM 200 N LEU A 17 0.881 7.970 -3.374 1.00 0.00 N ATOM 201 CA LEU A 17 1.035 6.533 -3.230 1.00 0.00 C ATOM 202 C LEU A 17 -0.158 5.829 -3.881 1.00 0.00 C ATOM 203 O LEU A 17 -1.308 6.110 -3.546 1.00 0.00 O ATOM 204 CB LEU A 17 1.241 6.160 -1.760 1.00 0.00 C ATOM 205 CG LEU A 17 0.965 4.701 -1.393 1.00 0.00 C ATOM 206 CD1 LEU A 17 1.932 3.761 -2.117 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.999 4.501 0.123 1.00 0.00 C ATOM 0 H LEU A 17 -0.067 8.315 -3.222 1.00 0.00 H new ATOM 0 HA LEU A 17 1.930 6.192 -3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.270 6.394 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.598 6.795 -1.151 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.041 4.449 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.714 2.730 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.815 3.878 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.956 4.004 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.800 3.455 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.982 4.777 0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.239 5.128 0.590 1.00 0.00 H new ATOM 219 N VAL A 18 0.157 4.928 -4.800 1.00 0.00 N ATOM 220 CA VAL A 18 -0.874 4.182 -5.501 1.00 0.00 C ATOM 221 C VAL A 18 -0.717 2.692 -5.194 1.00 0.00 C ATOM 222 O VAL A 18 0.297 2.087 -5.539 1.00 0.00 O ATOM 223 CB VAL A 18 -0.819 4.494 -6.998 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.748 3.568 -7.785 1.00 0.00 C ATOM 225 CG2 VAL A 18 -1.152 5.962 -7.265 1.00 0.00 C ATOM 0 H VAL A 18 1.112 4.698 -5.075 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.864 4.482 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 18 0.200 4.315 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.690 3.811 -8.846 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.444 2.532 -7.633 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.773 3.700 -7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.106 6.157 -8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.156 6.180 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.432 6.598 -6.749 1.00 0.00 H new ATOM 235 N ILE A 19 -1.736 2.142 -4.549 1.00 0.00 N ATOM 236 CA ILE A 19 -1.724 0.734 -4.192 1.00 0.00 C ATOM 237 C ILE A 19 -2.420 -0.072 -5.290 1.00 0.00 C ATOM 238 O ILE A 19 -3.572 0.197 -5.628 1.00 0.00 O ATOM 239 CB ILE A 19 -2.328 0.529 -2.801 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.457 1.176 -1.723 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.575 -0.956 -2.525 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.192 1.228 -0.382 1.00 0.00 C ATOM 0 H ILE A 19 -2.575 2.647 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.700 0.366 -4.127 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.297 1.028 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.531 0.612 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.182 2.185 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.004 -1.075 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.266 -1.354 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.631 -1.498 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.550 1.693 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.106 1.813 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.444 0.216 -0.066 1.00 0.00 H new ATOM 254 N ARG A 20 -1.691 -1.045 -5.818 1.00 0.00 N ATOM 255 CA ARG A 20 -2.224 -1.892 -6.871 1.00 0.00 C ATOM 256 C ARG A 20 -2.678 -3.234 -6.294 1.00 0.00 C ATOM 257 O ARG A 20 -1.855 -4.107 -6.021 1.00 0.00 O ATOM 258 CB ARG A 20 -1.178 -2.141 -7.960 1.00 0.00 C ATOM 259 CG ARG A 20 -1.563 -3.342 -8.826 1.00 0.00 C ATOM 260 CD ARG A 20 -0.509 -3.601 -9.904 1.00 0.00 C ATOM 261 NE ARG A 20 -0.808 -4.866 -10.611 1.00 0.00 N ATOM 262 CZ ARG A 20 0.033 -5.469 -11.462 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.231 -4.925 -11.717 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.323 -6.614 -12.059 1.00 0.00 N ATOM 0 H ARG A 20 -0.736 -1.265 -5.536 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.076 -1.375 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.081 -1.254 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.205 -2.316 -7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.672 -4.227 -8.199 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.531 -3.162 -9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.492 -2.774 -10.613 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.481 -3.653 -9.451 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.712 -5.307 -10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.502 -4.053 -11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.872 -5.383 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.235 -7.028 -11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.318 -7.072 -12.707 1.00 0.00 H new ATOM 278 N ILE A 21 -3.986 -3.358 -6.125 1.00 0.00 N ATOM 279 CA ILE A 21 -4.560 -4.579 -5.586 1.00 0.00 C ATOM 280 C ILE A 21 -4.562 -5.659 -6.670 1.00 0.00 C ATOM 281 O ILE A 21 -5.224 -5.512 -7.695 1.00 0.00 O ATOM 282 CB ILE A 21 -5.942 -4.304 -4.989 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.829 -3.502 -3.691 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.723 -5.604 -4.794 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.801 -1.999 -3.976 1.00 0.00 C ATOM 0 H ILE A 21 -4.665 -2.632 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.952 -4.954 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.504 -3.694 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.671 -3.737 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.923 -3.792 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.701 -5.380 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.851 -6.100 -5.756 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.175 -6.260 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.720 -1.452 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -4.944 -1.764 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.719 -1.708 -4.487 1.00 0.00 H new ATOM 297 N LYS A 22 -3.812 -6.719 -6.405 1.00 0.00 N ATOM 298 CA LYS A 22 -3.719 -7.823 -7.345 1.00 0.00 C ATOM 299 C LYS A 22 -5.037 -8.599 -7.345 1.00 0.00 C ATOM 300 O LYS A 22 -5.349 -9.299 -6.383 1.00 0.00 O ATOM 301 CB LYS A 22 -2.495 -8.688 -7.036 1.00 0.00 C ATOM 302 CG LYS A 22 -1.541 -8.735 -8.231 1.00 0.00 C ATOM 303 CD LYS A 22 -2.185 -9.452 -9.419 1.00 0.00 C ATOM 304 CE LYS A 22 -1.996 -10.966 -9.313 1.00 0.00 C ATOM 305 NZ LYS A 22 -0.556 -11.310 -9.316 1.00 0.00 N ATOM 0 H LYS A 22 -3.263 -6.836 -5.553 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.569 -7.450 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.974 -8.289 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.814 -9.699 -6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.264 -7.721 -8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.622 -9.248 -7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.249 -9.216 -9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.745 -9.091 -10.348 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.462 -11.333 -8.399 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.496 -11.460 -10.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.364 -11.994 -10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.006 -10.450 -9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.297 -11.728 -8.400 1.00 0.00 H new ATOM 319 N ILE A 23 -5.775 -8.450 -8.435 1.00 0.00 N ATOM 320 CA ILE A 23 -7.052 -9.129 -8.574 1.00 0.00 C ATOM 321 C ILE A 23 -6.812 -10.574 -9.015 1.00 0.00 C ATOM 322 O ILE A 23 -5.929 -10.839 -9.829 1.00 0.00 O ATOM 323 CB ILE A 23 -7.976 -8.346 -9.508 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.008 -6.863 -9.132 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.377 -8.961 -9.535 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.249 -6.535 -8.299 1.00 0.00 C ATOM 0 H ILE A 23 -5.513 -7.868 -9.231 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.568 -9.170 -7.615 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.575 -8.413 -10.519 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.110 -6.607 -8.569 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.002 -6.255 -10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.014 -8.385 -10.206 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.316 -9.991 -9.887 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.801 -8.945 -8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.247 -5.475 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.145 -6.769 -8.874 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.240 -7.127 -7.384 1.00 0.00 H new ATOM 338 N PRO A 24 -7.634 -11.494 -8.443 1.00 0.00 N ATOM 339 CA PRO A 24 -7.520 -12.905 -8.769 1.00 0.00 C ATOM 340 C PRO A 24 -8.100 -13.197 -10.154 1.00 0.00 C ATOM 341 O PRO A 24 -9.157 -12.678 -10.510 1.00 0.00 O ATOM 342 CB PRO A 24 -8.256 -13.628 -7.653 1.00 0.00 C ATOM 343 CG PRO A 24 -9.148 -12.585 -6.998 1.00 0.00 C ATOM 344 CD PRO A 24 -8.691 -11.216 -7.475 1.00 0.00 C ATOM 0 HA PRO A 24 -6.484 -13.240 -8.828 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.847 -14.455 -8.047 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.555 -14.051 -6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.191 -12.753 -7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.081 -12.653 -5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.511 -10.662 -7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.321 -10.612 -6.647 1.00 0.00 H new ATOM 352 N ASN A 25 -7.382 -14.025 -10.899 1.00 0.00 N ATOM 353 CA ASN A 25 -7.813 -14.392 -12.237 1.00 0.00 C ATOM 354 C ASN A 25 -8.188 -13.127 -13.012 1.00 0.00 C ATOM 355 O ASN A 25 -8.986 -13.181 -13.946 1.00 0.00 O ATOM 356 CB ASN A 25 -9.043 -15.301 -12.191 1.00 0.00 C ATOM 357 CG ASN A 25 -8.839 -16.544 -13.059 1.00 0.00 C ATOM 358 OD1 ASN A 25 -8.034 -17.413 -12.765 1.00 0.00 O ATOM 359 ND2 ASN A 25 -9.610 -16.581 -14.141 1.00 0.00 N ATOM 0 H ASN A 25 -6.505 -14.452 -10.601 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.993 -14.921 -12.722 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.240 -15.600 -11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.919 -14.752 -12.536 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.549 -17.370 -14.784 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.263 -15.820 -14.328 1.00 0.00 H new ATOM 366 N SER A 26 -7.595 -12.018 -12.595 1.00 0.00 N ATOM 367 CA SER A 26 -7.857 -10.742 -13.238 1.00 0.00 C ATOM 368 C SER A 26 -6.618 -9.848 -13.153 1.00 0.00 C ATOM 369 O SER A 26 -5.601 -10.245 -12.587 1.00 0.00 O ATOM 370 CB SER A 26 -9.061 -10.042 -12.603 1.00 0.00 C ATOM 371 OG SER A 26 -10.115 -9.838 -13.540 1.00 0.00 O ATOM 0 H SER A 26 -6.934 -11.977 -11.819 1.00 0.00 H new ATOM 0 HA SER A 26 -8.091 -10.929 -14.286 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.429 -10.639 -11.768 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.748 -9.081 -12.195 1.00 0.00 H new ATOM 0 HG SER A 26 -10.865 -9.391 -13.096 1.00 0.00 H new ATOM 377 N GLY A 27 -6.745 -8.659 -13.723 1.00 0.00 N ATOM 378 CA GLY A 27 -5.648 -7.707 -13.719 1.00 0.00 C ATOM 379 C GLY A 27 -5.384 -7.181 -12.306 1.00 0.00 C ATOM 380 O GLY A 27 -4.906 -7.918 -11.445 1.00 0.00 O ATOM 0 H GLY A 27 -7.591 -8.333 -14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.748 -8.182 -14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.881 -6.875 -14.383 1.00 0.00 H new ATOM 384 N ALA A 28 -5.707 -5.911 -12.112 1.00 0.00 N ATOM 385 CA ALA A 28 -5.511 -5.278 -10.819 1.00 0.00 C ATOM 386 C ALA A 28 -6.100 -3.866 -10.852 1.00 0.00 C ATOM 387 O ALA A 28 -6.217 -3.264 -11.918 1.00 0.00 O ATOM 388 CB ALA A 28 -4.021 -5.281 -10.470 1.00 0.00 C ATOM 0 H ALA A 28 -6.103 -5.303 -12.829 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.030 -5.833 -10.037 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.874 -4.806 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.659 -6.308 -10.430 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.468 -4.731 -11.231 1.00 0.00 H new ATOM 394 N VAL A 29 -6.454 -3.380 -9.671 1.00 0.00 N ATOM 395 CA VAL A 29 -7.027 -2.050 -9.552 1.00 0.00 C ATOM 396 C VAL A 29 -6.130 -1.191 -8.658 1.00 0.00 C ATOM 397 O VAL A 29 -5.607 -1.671 -7.654 1.00 0.00 O ATOM 398 CB VAL A 29 -8.466 -2.145 -9.041 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.963 -0.785 -8.546 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.395 -2.709 -10.118 1.00 0.00 C ATOM 0 H VAL A 29 -6.355 -3.883 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.074 -1.565 -10.527 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.476 -2.834 -8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.988 -0.880 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.326 -0.439 -7.732 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.930 -0.066 -9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.411 -2.766 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.377 -2.057 -10.992 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.059 -3.706 -10.402 1.00 0.00 H new ATOM 410 N ASP A 30 -5.981 0.064 -9.056 1.00 0.00 N ATOM 411 CA ASP A 30 -5.157 0.994 -8.303 1.00 0.00 C ATOM 412 C ASP A 30 -6.037 1.771 -7.322 1.00 0.00 C ATOM 413 O ASP A 30 -7.133 2.205 -7.675 1.00 0.00 O ATOM 414 CB ASP A 30 -4.479 2.005 -9.231 1.00 0.00 C ATOM 415 CG ASP A 30 -5.326 3.229 -9.583 1.00 0.00 C ATOM 416 OD1 ASP A 30 -5.256 4.209 -8.810 1.00 0.00 O ATOM 417 OD2 ASP A 30 -6.024 3.158 -10.618 1.00 0.00 O ATOM 0 H ASP A 30 -6.417 0.458 -9.890 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.395 0.419 -7.777 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.555 2.344 -8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.200 1.498 -10.154 1.00 0.00 H new ATOM 422 N TRP A 31 -5.525 1.922 -6.109 1.00 0.00 N ATOM 423 CA TRP A 31 -6.251 2.639 -5.075 1.00 0.00 C ATOM 424 C TRP A 31 -5.478 3.920 -4.755 1.00 0.00 C ATOM 425 O TRP A 31 -4.292 3.870 -4.436 1.00 0.00 O ATOM 426 CB TRP A 31 -6.473 1.753 -3.847 1.00 0.00 C ATOM 427 CG TRP A 31 -6.673 2.532 -2.545 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.273 3.718 -2.377 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.245 2.128 -1.227 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.262 4.107 -1.053 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.618 3.109 -0.332 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.565 0.971 -0.806 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.354 3.034 1.041 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.309 0.912 0.569 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.678 1.891 1.484 1.00 0.00 C ATOM 0 H TRP A 31 -4.616 1.560 -5.820 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.248 2.912 -5.422 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.346 1.123 -4.019 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.617 1.088 -3.732 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.710 4.297 -3.177 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.654 4.969 -0.674 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.264 0.190 -1.489 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.656 3.816 1.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.788 0.044 0.946 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.444 1.771 2.532 1.00 0.00 H new ATOM 446 N THR A 32 -6.183 5.038 -4.853 1.00 0.00 N ATOM 447 CA THR A 32 -5.578 6.330 -4.578 1.00 0.00 C ATOM 448 C THR A 32 -5.394 6.524 -3.072 1.00 0.00 C ATOM 449 O THR A 32 -6.351 6.417 -2.307 1.00 0.00 O ATOM 450 CB THR A 32 -6.449 7.407 -5.228 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.821 8.632 -4.856 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.840 7.495 -4.597 1.00 0.00 C ATOM 0 H THR A 32 -7.167 5.076 -5.119 1.00 0.00 H new ATOM 0 HA THR A 32 -4.578 6.398 -5.006 1.00 0.00 H new ATOM 0 HB THR A 32 -6.547 7.201 -6.294 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.147 8.871 -5.526 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.417 8.274 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.351 6.539 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.745 7.735 -3.538 1.00 0.00 H new ATOM 460 N VAL A 33 -4.156 6.805 -2.690 1.00 0.00 N ATOM 461 CA VAL A 33 -3.835 7.014 -1.289 1.00 0.00 C ATOM 462 C VAL A 33 -3.261 8.421 -1.107 1.00 0.00 C ATOM 463 O VAL A 33 -3.875 9.266 -0.458 1.00 0.00 O ATOM 464 CB VAL A 33 -2.890 5.915 -0.799 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.402 6.205 0.622 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.558 4.541 -0.880 1.00 0.00 C ATOM 0 H VAL A 33 -3.364 6.893 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.734 6.947 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.020 5.903 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.732 5.409 0.946 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.869 7.156 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.257 6.257 1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.865 3.778 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.453 4.534 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.832 4.330 -1.914 1.00 0.00 H new ATOM 476 N HIS A 34 -2.090 8.628 -1.691 1.00 0.00 N ATOM 477 CA HIS A 34 -1.427 9.918 -1.601 1.00 0.00 C ATOM 478 C HIS A 34 -0.796 10.075 -0.217 1.00 0.00 C ATOM 479 O HIS A 34 0.395 10.361 -0.102 1.00 0.00 O ATOM 480 CB HIS A 34 -2.395 11.052 -1.943 1.00 0.00 C ATOM 481 CG HIS A 34 -3.017 10.936 -3.315 1.00 0.00 C ATOM 482 ND1 HIS A 34 -3.085 11.997 -4.200 1.00 0.00 N ATOM 483 CD2 HIS A 34 -3.598 9.873 -3.943 1.00 0.00 C ATOM 484 CE1 HIS A 34 -3.682 11.582 -5.307 1.00 0.00 C ATOM 485 NE2 HIS A 34 -3.999 10.265 -5.146 1.00 0.00 N ATOM 0 H HIS A 34 -1.583 7.924 -2.228 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.624 9.970 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.189 11.076 -1.196 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -1.864 12.002 -1.875 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.735 12.940 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.712 8.881 -3.531 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.883 12.181 -6.183 1.00 0.00 H new ATOM 493 N SER A 35 -1.622 9.880 0.801 1.00 0.00 N ATOM 494 CA SER A 35 -1.159 9.997 2.173 1.00 0.00 C ATOM 495 C SER A 35 -0.438 8.714 2.593 1.00 0.00 C ATOM 496 O SER A 35 -0.847 8.051 3.545 1.00 0.00 O ATOM 497 CB SER A 35 -2.323 10.287 3.124 1.00 0.00 C ATOM 498 OG SER A 35 -3.308 11.123 2.522 1.00 0.00 O ATOM 0 H SER A 35 -2.609 9.642 0.703 1.00 0.00 H new ATOM 0 HA SER A 35 -0.462 10.833 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.783 9.348 3.431 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.943 10.766 4.026 1.00 0.00 H new ATOM 0 HG SER A 35 -4.035 11.284 3.160 1.00 0.00 H new ATOM 504 N GLY A 36 0.622 8.403 1.862 1.00 0.00 N ATOM 505 CA GLY A 36 1.404 7.212 2.147 1.00 0.00 C ATOM 506 C GLY A 36 1.722 7.109 3.640 1.00 0.00 C ATOM 507 O GLY A 36 1.545 6.052 4.244 1.00 0.00 O ATOM 0 H GLY A 36 0.958 8.955 1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.855 6.327 1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.331 7.236 1.575 1.00 0.00 H new ATOM 511 N PRO A 37 2.199 8.249 4.206 1.00 0.00 N ATOM 512 CA PRO A 37 2.543 8.297 5.617 1.00 0.00 C ATOM 513 C PRO A 37 1.285 8.350 6.487 1.00 0.00 C ATOM 514 O PRO A 37 1.289 7.870 7.620 1.00 0.00 O ATOM 515 CB PRO A 37 3.420 9.530 5.766 1.00 0.00 C ATOM 516 CG PRO A 37 3.156 10.381 4.536 1.00 0.00 C ATOM 517 CD PRO A 37 2.422 9.519 3.521 1.00 0.00 C ATOM 0 HA PRO A 37 3.072 7.405 5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.176 10.075 6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.473 9.255 5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.559 11.255 4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.093 10.749 4.118 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.480 9.977 3.220 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.014 9.382 2.616 1.00 0.00 H new ATOM 525 N GLN A 38 0.239 8.937 5.924 1.00 0.00 N ATOM 526 CA GLN A 38 -1.022 9.058 6.634 1.00 0.00 C ATOM 527 C GLN A 38 -1.964 7.918 6.242 1.00 0.00 C ATOM 528 O GLN A 38 -3.142 8.146 5.972 1.00 0.00 O ATOM 529 CB GLN A 38 -1.671 10.419 6.372 1.00 0.00 C ATOM 530 CG GLN A 38 -1.956 11.153 7.684 1.00 0.00 C ATOM 531 CD GLN A 38 -0.992 12.325 7.877 1.00 0.00 C ATOM 532 OE1 GLN A 38 0.159 12.289 7.475 1.00 0.00 O ATOM 533 NE2 GLN A 38 -1.525 13.364 8.514 1.00 0.00 N ATOM 0 H GLN A 38 0.239 9.334 4.984 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.822 8.987 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.014 11.025 5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.600 10.282 5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.983 11.518 7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.864 10.460 8.520 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.496 13.329 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.963 14.196 8.692 1.00 0.00 H new ATOM 542 N LEU A 39 -1.409 6.715 6.224 1.00 0.00 N ATOM 543 CA LEU A 39 -2.184 5.538 5.869 1.00 0.00 C ATOM 544 C LEU A 39 -2.159 4.546 7.034 1.00 0.00 C ATOM 545 O LEU A 39 -1.213 4.531 7.820 1.00 0.00 O ATOM 546 CB LEU A 39 -1.689 4.948 4.548 1.00 0.00 C ATOM 547 CG LEU A 39 -2.410 3.688 4.063 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.865 3.994 3.702 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.656 3.037 2.902 1.00 0.00 C ATOM 0 H LEU A 39 -0.432 6.530 6.450 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.227 5.806 5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.777 5.713 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.628 4.719 4.650 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.426 2.967 4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.355 3.082 3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.385 4.378 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.894 4.740 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.190 2.144 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.587 3.741 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.653 2.762 3.228 1.00 0.00 H new ATOM 561 N LEU A 40 -3.210 3.742 7.107 1.00 0.00 N ATOM 562 CA LEU A 40 -3.320 2.750 8.163 1.00 0.00 C ATOM 563 C LEU A 40 -3.607 1.381 7.542 1.00 0.00 C ATOM 564 O LEU A 40 -4.107 1.297 6.421 1.00 0.00 O ATOM 565 CB LEU A 40 -4.357 3.184 9.201 1.00 0.00 C ATOM 566 CG LEU A 40 -4.050 4.479 9.955 1.00 0.00 C ATOM 567 CD1 LEU A 40 -5.278 4.971 10.723 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.834 4.307 10.867 1.00 0.00 C ATOM 0 H LEU A 40 -3.992 3.757 6.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.378 2.664 8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.318 3.298 8.700 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.471 2.381 9.929 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.798 5.248 9.225 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.032 5.893 11.250 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.093 5.159 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.585 4.212 11.443 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.637 5.242 11.391 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.032 3.519 11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.965 4.037 10.267 1.00 0.00 H new ATOM 580 N PHE A 41 -3.279 0.343 8.297 1.00 0.00 N ATOM 581 CA PHE A 41 -3.496 -1.017 7.835 1.00 0.00 C ATOM 582 C PHE A 41 -4.974 -1.263 7.529 1.00 0.00 C ATOM 583 O PHE A 41 -5.310 -1.851 6.502 1.00 0.00 O ATOM 584 CB PHE A 41 -3.059 -1.949 8.968 1.00 0.00 C ATOM 585 CG PHE A 41 -3.271 -3.434 8.668 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.675 -4.001 7.584 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.055 -4.188 9.485 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.872 -5.379 7.306 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.251 -5.566 9.206 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.655 -6.133 8.123 1.00 0.00 C ATOM 0 H PHE A 41 -2.864 0.417 9.226 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.930 -1.194 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.003 -1.778 9.178 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.610 -1.689 9.872 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.052 -3.403 6.935 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.528 -3.738 10.345 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.400 -5.829 6.445 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.874 -6.165 9.854 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.804 -7.182 7.912 1.00 0.00 H new ATOM 600 N ARG A 42 -5.819 -0.801 8.439 1.00 0.00 N ATOM 601 CA ARG A 42 -7.254 -0.964 8.280 1.00 0.00 C ATOM 602 C ARG A 42 -7.712 -0.358 6.952 1.00 0.00 C ATOM 603 O ARG A 42 -8.302 -1.048 6.121 1.00 0.00 O ATOM 604 CB ARG A 42 -8.015 -0.296 9.427 1.00 0.00 C ATOM 605 CG ARG A 42 -8.634 -1.342 10.357 1.00 0.00 C ATOM 606 CD ARG A 42 -7.558 -2.258 10.943 1.00 0.00 C ATOM 607 NE ARG A 42 -8.119 -3.042 12.067 1.00 0.00 N ATOM 608 CZ ARG A 42 -7.377 -3.645 13.006 1.00 0.00 C ATOM 609 NH1 ARG A 42 -6.041 -3.558 12.962 1.00 0.00 N ATOM 610 NH2 ARG A 42 -7.972 -4.335 13.988 1.00 0.00 N ATOM 0 H ARG A 42 -5.537 -0.314 9.289 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.470 -2.032 8.290 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.338 0.344 9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.798 0.346 9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.172 -0.844 11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.363 -1.937 9.807 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.181 -2.930 10.172 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.712 -1.664 11.289 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.133 -3.128 12.130 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.588 -3.033 12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.476 -4.017 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.989 -4.401 14.021 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.408 -4.794 14.703 1.00 0.00 H new ATOM 624 N ASP A 43 -7.424 0.926 6.792 1.00 0.00 N ATOM 625 CA ASP A 43 -7.799 1.632 5.580 1.00 0.00 C ATOM 626 C ASP A 43 -7.655 0.692 4.381 1.00 0.00 C ATOM 627 O ASP A 43 -8.571 0.569 3.570 1.00 0.00 O ATOM 628 CB ASP A 43 -6.892 2.841 5.344 1.00 0.00 C ATOM 629 CG ASP A 43 -7.415 4.162 5.912 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.048 4.106 6.988 1.00 0.00 O ATOM 631 OD2 ASP A 43 -7.169 5.198 5.257 1.00 0.00 O ATOM 0 H ASP A 43 -6.935 1.495 7.483 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.829 1.970 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.916 2.635 5.783 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.741 2.959 4.271 1.00 0.00 H new ATOM 636 N VAL A 44 -6.497 0.052 4.308 1.00 0.00 N ATOM 637 CA VAL A 44 -6.221 -0.874 3.223 1.00 0.00 C ATOM 638 C VAL A 44 -7.323 -1.933 3.168 1.00 0.00 C ATOM 639 O VAL A 44 -7.929 -2.150 2.120 1.00 0.00 O ATOM 640 CB VAL A 44 -4.823 -1.474 3.390 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.531 -2.498 2.291 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.755 -0.378 3.416 1.00 0.00 C ATOM 0 H VAL A 44 -5.739 0.157 4.983 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.224 -0.352 2.266 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.794 -1.993 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.532 -2.909 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.265 -3.303 2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.589 -2.013 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.771 -0.832 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.785 0.182 2.481 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.947 0.297 4.250 1.00 0.00 H new ATOM 652 N LEU A 45 -7.551 -2.564 4.311 1.00 0.00 N ATOM 653 CA LEU A 45 -8.570 -3.595 4.406 1.00 0.00 C ATOM 654 C LEU A 45 -9.936 -2.987 4.082 1.00 0.00 C ATOM 655 O LEU A 45 -10.781 -3.640 3.470 1.00 0.00 O ATOM 656 CB LEU A 45 -8.511 -4.282 5.772 1.00 0.00 C ATOM 657 CG LEU A 45 -7.285 -5.161 6.028 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.805 -5.822 4.735 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.173 -4.365 6.713 1.00 0.00 C ATOM 0 H LEU A 45 -7.047 -2.381 5.179 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.388 -4.380 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.551 -3.514 6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.404 -4.896 5.887 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.574 -5.961 6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.933 -6.441 4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.602 -6.444 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.538 -5.053 4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.313 -5.013 6.883 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.878 -3.531 6.077 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.534 -3.983 7.668 1.00 0.00 H new ATOM 671 N ASP A 46 -10.111 -1.744 4.506 1.00 0.00 N ATOM 672 CA ASP A 46 -11.360 -1.041 4.269 1.00 0.00 C ATOM 673 C ASP A 46 -11.511 -0.770 2.771 1.00 0.00 C ATOM 674 O ASP A 46 -12.623 -0.584 2.279 1.00 0.00 O ATOM 675 CB ASP A 46 -11.382 0.304 4.997 1.00 0.00 C ATOM 676 CG ASP A 46 -11.971 0.266 6.409 1.00 0.00 C ATOM 677 OD1 ASP A 46 -13.218 0.248 6.503 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.163 0.255 7.361 1.00 0.00 O ATOM 0 H ASP A 46 -9.408 -1.206 5.012 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.173 -1.665 4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.363 0.685 5.055 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.954 1.014 4.400 1.00 0.00 H new ATOM 683 N VAL A 47 -10.376 -0.756 2.087 1.00 0.00 N ATOM 684 CA VAL A 47 -10.368 -0.510 0.655 1.00 0.00 C ATOM 685 C VAL A 47 -10.488 -1.843 -0.087 1.00 0.00 C ATOM 686 O VAL A 47 -11.442 -2.058 -0.833 1.00 0.00 O ATOM 687 CB VAL A 47 -9.116 0.280 0.266 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.927 0.296 -1.252 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.169 1.702 0.828 1.00 0.00 C ATOM 0 H VAL A 47 -9.456 -0.911 2.498 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.224 0.101 0.368 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.253 -0.221 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.031 0.864 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.822 -0.726 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.793 0.762 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.268 2.242 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.044 2.217 0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.233 1.661 1.915 1.00 0.00 H new ATOM 699 N ILE A 48 -9.506 -2.702 0.143 1.00 0.00 N ATOM 700 CA ILE A 48 -9.490 -4.008 -0.495 1.00 0.00 C ATOM 701 C ILE A 48 -10.909 -4.579 -0.513 1.00 0.00 C ATOM 702 O ILE A 48 -11.374 -5.064 -1.544 1.00 0.00 O ATOM 703 CB ILE A 48 -8.468 -4.923 0.183 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.044 -4.570 -0.252 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.797 -6.395 -0.070 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.016 -5.429 0.488 1.00 0.00 C ATOM 0 H ILE A 48 -8.716 -2.520 0.762 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.167 -3.921 -1.532 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.525 -4.762 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.941 -4.718 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.851 -3.515 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.055 -7.024 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.786 -6.620 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.784 -6.592 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.012 -5.158 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.106 -5.260 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.197 -6.482 0.270 1.00 0.00 H new ATOM 718 N GLY A 49 -11.558 -4.504 0.640 1.00 0.00 N ATOM 719 CA GLY A 49 -12.915 -5.007 0.769 1.00 0.00 C ATOM 720 C GLY A 49 -13.774 -4.581 -0.423 1.00 0.00 C ATOM 721 O GLY A 49 -14.571 -5.368 -0.932 1.00 0.00 O ATOM 0 H GLY A 49 -11.169 -4.102 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.898 -6.095 0.839 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.358 -4.635 1.693 1.00 0.00 H new ATOM 725 N GLN A 50 -13.584 -3.335 -0.833 1.00 0.00 N ATOM 726 CA GLN A 50 -14.331 -2.795 -1.956 1.00 0.00 C ATOM 727 C GLN A 50 -13.906 -3.479 -3.256 1.00 0.00 C ATOM 728 O GLN A 50 -14.719 -3.662 -4.161 1.00 0.00 O ATOM 729 CB GLN A 50 -14.156 -1.278 -2.052 1.00 0.00 C ATOM 730 CG GLN A 50 -14.516 -0.599 -0.728 1.00 0.00 C ATOM 731 CD GLN A 50 -15.551 0.506 -0.943 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.690 0.264 -1.307 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.093 1.731 -0.698 1.00 0.00 N ATOM 0 H GLN A 50 -12.924 -2.684 -0.407 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.390 -2.996 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.125 -1.043 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.787 -0.885 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -14.908 -1.339 -0.030 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.618 -0.178 -0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.128 1.864 -0.396 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.707 2.537 -0.812 1.00 0.00 H new ATOM 742 N VAL A 51 -12.632 -3.839 -3.308 1.00 0.00 N ATOM 743 CA VAL A 51 -12.088 -4.500 -4.483 1.00 0.00 C ATOM 744 C VAL A 51 -12.501 -5.973 -4.471 1.00 0.00 C ATOM 745 O VAL A 51 -12.816 -6.541 -5.516 1.00 0.00 O ATOM 746 CB VAL A 51 -10.571 -4.305 -4.538 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.000 -4.824 -5.859 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.199 -2.837 -4.319 1.00 0.00 C ATOM 0 H VAL A 51 -11.960 -3.686 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.493 -4.056 -5.393 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.128 -4.887 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.921 -4.674 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.220 -5.887 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.452 -4.282 -6.689 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.116 -2.726 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.658 -2.225 -5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.558 -2.513 -3.342 1.00 0.00 H new ATOM 758 N LEU A 52 -12.487 -6.549 -3.279 1.00 0.00 N ATOM 759 CA LEU A 52 -12.857 -7.945 -3.117 1.00 0.00 C ATOM 760 C LEU A 52 -14.033 -8.048 -2.145 1.00 0.00 C ATOM 761 O LEU A 52 -13.852 -8.401 -0.981 1.00 0.00 O ATOM 762 CB LEU A 52 -11.641 -8.776 -2.702 1.00 0.00 C ATOM 763 CG LEU A 52 -10.600 -9.034 -3.793 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.698 -7.814 -3.989 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.795 -10.300 -3.495 1.00 0.00 C ATOM 0 H LEU A 52 -12.225 -6.074 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.192 -8.363 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.149 -8.273 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.993 -9.738 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.125 -9.201 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.967 -8.024 -4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.304 -6.956 -4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.179 -7.592 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.062 -10.460 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.280 -10.188 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.468 -11.156 -3.445 1.00 0.00 H new ATOM 777 N PRO A 53 -15.245 -7.723 -2.672 1.00 0.00 N ATOM 778 CA PRO A 53 -16.451 -7.776 -1.863 1.00 0.00 C ATOM 779 C PRO A 53 -16.897 -9.222 -1.637 1.00 0.00 C ATOM 780 O PRO A 53 -17.638 -9.507 -0.698 1.00 0.00 O ATOM 781 CB PRO A 53 -17.473 -6.951 -2.628 1.00 0.00 C ATOM 782 CG PRO A 53 -16.950 -6.856 -4.052 1.00 0.00 C ATOM 783 CD PRO A 53 -15.497 -7.300 -4.046 1.00 0.00 C ATOM 0 HA PRO A 53 -16.304 -7.374 -0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.455 -7.424 -2.603 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.585 -5.961 -2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.539 -7.487 -4.718 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.035 -5.834 -4.423 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.329 -8.116 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.833 -6.486 -4.338 1.00 0.00 H new ATOM 791 N GLU A 54 -16.427 -10.096 -2.514 1.00 0.00 N ATOM 792 CA GLU A 54 -16.768 -11.506 -2.423 1.00 0.00 C ATOM 793 C GLU A 54 -15.593 -12.300 -1.850 1.00 0.00 C ATOM 794 O GLU A 54 -15.680 -13.517 -1.692 1.00 0.00 O ATOM 795 CB GLU A 54 -17.191 -12.058 -3.786 1.00 0.00 C ATOM 796 CG GLU A 54 -17.546 -10.924 -4.750 1.00 0.00 C ATOM 797 CD GLU A 54 -18.430 -11.432 -5.891 1.00 0.00 C ATOM 798 OE1 GLU A 54 -18.165 -12.562 -6.355 1.00 0.00 O ATOM 799 OE2 GLU A 54 -19.351 -10.678 -6.274 1.00 0.00 O ATOM 0 H GLU A 54 -15.812 -9.855 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.617 -11.611 -1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.384 -12.658 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.049 -12.719 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.063 -10.131 -4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.633 -10.489 -5.158 1.00 0.00 H new ATOM 806 N ALA A 55 -14.521 -11.580 -1.554 1.00 0.00 N ATOM 807 CA ALA A 55 -13.330 -12.203 -1.001 1.00 0.00 C ATOM 808 C ALA A 55 -12.669 -11.240 -0.013 1.00 0.00 C ATOM 809 O ALA A 55 -11.620 -10.668 -0.305 1.00 0.00 O ATOM 810 CB ALA A 55 -12.391 -12.606 -2.139 1.00 0.00 C ATOM 0 H ALA A 55 -14.452 -10.571 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.589 -13.110 -0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.497 -13.073 -1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.898 -13.312 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.107 -11.720 -2.707 1.00 0.00 H new ATOM 816 N THR A 56 -13.309 -11.092 1.138 1.00 0.00 N ATOM 817 CA THR A 56 -12.796 -10.209 2.171 1.00 0.00 C ATOM 818 C THR A 56 -11.309 -10.476 2.411 1.00 0.00 C ATOM 819 O THR A 56 -10.792 -11.522 2.022 1.00 0.00 O ATOM 820 CB THR A 56 -13.657 -10.396 3.423 1.00 0.00 C ATOM 821 OG1 THR A 56 -14.938 -9.902 3.040 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.230 -9.477 4.569 1.00 0.00 C ATOM 0 H THR A 56 -14.178 -11.569 1.378 1.00 0.00 H new ATOM 0 HA THR A 56 -12.861 -9.164 1.867 1.00 0.00 H new ATOM 0 HB THR A 56 -13.601 -11.434 3.750 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.560 -9.987 3.793 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.872 -9.650 5.432 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.195 -9.688 4.839 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.318 -8.437 4.254 1.00 0.00 H new ATOM 830 N THR A 57 -10.663 -9.513 3.051 1.00 0.00 N ATOM 831 CA THR A 57 -9.245 -9.631 3.347 1.00 0.00 C ATOM 832 C THR A 57 -8.888 -8.800 4.581 1.00 0.00 C ATOM 833 O THR A 57 -9.357 -7.673 4.733 1.00 0.00 O ATOM 834 CB THR A 57 -8.465 -9.226 2.095 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.170 -10.464 1.454 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.091 -8.639 2.425 1.00 0.00 C ATOM 0 H THR A 57 -11.095 -8.647 3.373 1.00 0.00 H new ATOM 0 HA THR A 57 -8.977 -10.658 3.596 1.00 0.00 H new ATOM 0 HB THR A 57 -9.043 -8.497 1.527 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.982 -11.011 1.409 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.580 -8.368 1.501 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.214 -7.751 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.499 -9.379 2.964 1.00 0.00 H new ATOM 844 N THR A 58 -8.060 -9.389 5.432 1.00 0.00 N ATOM 845 CA THR A 58 -7.633 -8.718 6.647 1.00 0.00 C ATOM 846 C THR A 58 -6.174 -8.273 6.528 1.00 0.00 C ATOM 847 O THR A 58 -5.801 -7.214 7.030 1.00 0.00 O ATOM 848 CB THR A 58 -7.886 -9.663 7.823 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.300 -9.627 8.000 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.331 -9.120 9.142 1.00 0.00 C ATOM 0 H THR A 58 -7.674 -10.324 5.303 1.00 0.00 H new ATOM 0 HA THR A 58 -8.205 -7.805 6.816 1.00 0.00 H new ATOM 0 HB THR A 58 -7.435 -10.633 7.612 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.552 -10.214 8.743 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.538 -9.829 9.943 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.254 -8.977 9.052 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.805 -8.166 9.371 1.00 0.00 H new ATOM 858 N ALA A 59 -5.389 -9.105 5.860 1.00 0.00 N ATOM 859 CA ALA A 59 -3.979 -8.811 5.668 1.00 0.00 C ATOM 860 C ALA A 59 -3.642 -8.901 4.178 1.00 0.00 C ATOM 861 O ALA A 59 -4.440 -9.399 3.386 1.00 0.00 O ATOM 862 CB ALA A 59 -3.138 -9.768 6.514 1.00 0.00 C ATOM 0 H ALA A 59 -5.702 -9.982 5.445 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.750 -7.798 5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.080 -9.547 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.394 -9.645 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.339 -10.795 6.210 1.00 0.00 H new ATOM 868 N PHE A 60 -2.458 -8.411 3.841 1.00 0.00 N ATOM 869 CA PHE A 60 -2.005 -8.429 2.461 1.00 0.00 C ATOM 870 C PHE A 60 -0.485 -8.580 2.384 1.00 0.00 C ATOM 871 O PHE A 60 0.209 -8.436 3.390 1.00 0.00 O ATOM 872 CB PHE A 60 -2.405 -7.088 1.841 1.00 0.00 C ATOM 873 CG PHE A 60 -2.105 -5.879 2.728 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.015 -5.471 3.653 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.928 -5.211 2.592 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.736 -4.348 4.476 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.649 -4.088 3.415 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.559 -3.680 4.340 1.00 0.00 C ATOM 0 H PHE A 60 -1.798 -7.999 4.501 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.453 -9.271 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.883 -6.968 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.472 -7.106 1.618 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.950 -6.001 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.205 -5.535 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.459 -4.024 5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.286 -3.558 3.307 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.347 -2.826 4.966 1.00 0.00 H new ATOM 888 N GLU A 61 -0.011 -8.868 1.181 1.00 0.00 N ATOM 889 CA GLU A 61 1.415 -9.040 0.960 1.00 0.00 C ATOM 890 C GLU A 61 1.918 -8.030 -0.074 1.00 0.00 C ATOM 891 O GLU A 61 1.175 -7.632 -0.970 1.00 0.00 O ATOM 892 CB GLU A 61 1.734 -10.473 0.527 1.00 0.00 C ATOM 893 CG GLU A 61 1.387 -11.470 1.634 1.00 0.00 C ATOM 894 CD GLU A 61 1.875 -12.876 1.277 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.054 -13.162 1.582 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.059 -13.633 0.709 1.00 0.00 O ATOM 0 H GLU A 61 -0.589 -8.987 0.349 1.00 0.00 H new ATOM 0 HA GLU A 61 1.933 -8.856 1.901 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.174 -10.717 -0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.792 -10.554 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.841 -11.150 2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.308 -11.484 1.791 1.00 0.00 H new ATOM 903 N TYR A 62 3.175 -7.645 0.085 1.00 0.00 N ATOM 904 CA TYR A 62 3.786 -6.689 -0.823 1.00 0.00 C ATOM 905 C TYR A 62 5.197 -7.130 -1.216 1.00 0.00 C ATOM 906 O TYR A 62 6.030 -7.399 -0.352 1.00 0.00 O ATOM 907 CB TYR A 62 3.872 -5.371 -0.052 1.00 0.00 C ATOM 908 CG TYR A 62 5.139 -5.226 0.794 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.340 -4.911 0.190 1.00 0.00 C ATOM 910 CD2 TYR A 62 5.081 -5.411 2.160 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.532 -4.776 0.986 1.00 0.00 C ATOM 912 CE2 TYR A 62 6.274 -5.275 2.956 1.00 0.00 C ATOM 913 CZ TYR A 62 7.440 -4.964 2.330 1.00 0.00 C ATOM 914 OH TYR A 62 8.566 -4.836 3.081 1.00 0.00 O ATOM 0 H TYR A 62 3.788 -7.978 0.829 1.00 0.00 H new ATOM 0 HA TYR A 62 3.200 -6.600 -1.738 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.824 -4.544 -0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.001 -5.285 0.598 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.385 -4.766 -0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.142 -5.658 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.478 -4.531 0.526 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.243 -5.417 4.026 1.00 0.00 H new ATOM 0 HH TYR A 62 9.341 -4.724 2.492 1.00 0.00 H new ATOM 924 N GLU A 63 5.422 -7.190 -2.520 1.00 0.00 N ATOM 925 CA GLU A 63 6.719 -7.594 -3.038 1.00 0.00 C ATOM 926 C GLU A 63 7.811 -6.653 -2.526 1.00 0.00 C ATOM 927 O GLU A 63 7.639 -5.435 -2.531 1.00 0.00 O ATOM 928 CB GLU A 63 6.708 -7.640 -4.567 1.00 0.00 C ATOM 929 CG GLU A 63 6.729 -9.084 -5.072 1.00 0.00 C ATOM 930 CD GLU A 63 7.644 -9.226 -6.290 1.00 0.00 C ATOM 931 OE1 GLU A 63 8.033 -8.169 -6.834 1.00 0.00 O ATOM 932 OE2 GLU A 63 7.934 -10.387 -6.651 1.00 0.00 O ATOM 0 H GLU A 63 4.729 -6.966 -3.234 1.00 0.00 H new ATOM 0 HA GLU A 63 6.935 -8.600 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.820 -7.132 -4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.572 -7.102 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.071 -9.746 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.718 -9.396 -5.334 1.00 0.00 H new ATOM 939 N ASP A 64 8.911 -7.254 -2.096 1.00 0.00 N ATOM 940 CA ASP A 64 10.031 -6.485 -1.581 1.00 0.00 C ATOM 941 C ASP A 64 11.148 -6.456 -2.627 1.00 0.00 C ATOM 942 O ASP A 64 10.886 -6.576 -3.823 1.00 0.00 O ATOM 943 CB ASP A 64 10.594 -7.118 -0.306 1.00 0.00 C ATOM 944 CG ASP A 64 11.164 -6.126 0.710 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.344 -5.423 1.338 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.407 -6.094 0.836 1.00 0.00 O ATOM 0 H ASP A 64 9.050 -8.264 -2.094 1.00 0.00 H new ATOM 0 HA ASP A 64 9.675 -5.479 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.804 -7.694 0.175 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.378 -7.822 -0.583 1.00 0.00 H new ATOM 951 N GLU A 65 12.369 -6.297 -2.138 1.00 0.00 N ATOM 952 CA GLU A 65 13.526 -6.251 -3.016 1.00 0.00 C ATOM 953 C GLU A 65 13.689 -7.583 -3.749 1.00 0.00 C ATOM 954 O GLU A 65 13.798 -7.612 -4.974 1.00 0.00 O ATOM 955 CB GLU A 65 14.793 -5.896 -2.234 1.00 0.00 C ATOM 956 CG GLU A 65 14.906 -4.384 -2.030 1.00 0.00 C ATOM 957 CD GLU A 65 16.231 -3.854 -2.581 1.00 0.00 C ATOM 958 OE1 GLU A 65 17.254 -4.535 -2.351 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.191 -2.780 -3.219 1.00 0.00 O ATOM 0 H GLU A 65 12.582 -6.198 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 65 13.365 -5.469 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.780 -6.397 -1.266 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.669 -6.261 -2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.075 -3.883 -2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.830 -4.150 -0.968 1.00 0.00 H new ATOM 966 N ASP A 66 13.701 -8.654 -2.970 1.00 0.00 N ATOM 967 CA ASP A 66 13.849 -9.987 -3.530 1.00 0.00 C ATOM 968 C ASP A 66 12.464 -10.575 -3.808 1.00 0.00 C ATOM 969 O ASP A 66 12.298 -11.793 -3.838 1.00 0.00 O ATOM 970 CB ASP A 66 14.571 -10.918 -2.554 1.00 0.00 C ATOM 971 CG ASP A 66 16.047 -11.166 -2.870 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.314 -11.651 -3.990 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.875 -10.864 -1.983 1.00 0.00 O ATOM 0 H ASP A 66 13.611 -8.626 -1.954 1.00 0.00 H new ATOM 0 HA ASP A 66 14.432 -9.905 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.495 -10.498 -1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.052 -11.876 -2.538 1.00 0.00 H new ATOM 978 N GLY A 67 11.505 -9.682 -4.005 1.00 0.00 N ATOM 979 CA GLY A 67 10.140 -10.098 -4.279 1.00 0.00 C ATOM 980 C GLY A 67 9.749 -11.299 -3.417 1.00 0.00 C ATOM 981 O GLY A 67 9.045 -12.196 -3.878 1.00 0.00 O ATOM 0 H GLY A 67 11.646 -8.672 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.458 -9.270 -4.086 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.039 -10.355 -5.334 1.00 0.00 H new ATOM 985 N ASP A 68 10.222 -11.278 -2.179 1.00 0.00 N ATOM 986 CA ASP A 68 9.931 -12.354 -1.248 1.00 0.00 C ATOM 987 C ASP A 68 8.482 -12.232 -0.772 1.00 0.00 C ATOM 988 O ASP A 68 7.995 -13.083 -0.029 1.00 0.00 O ATOM 989 CB ASP A 68 10.840 -12.281 -0.019 1.00 0.00 C ATOM 990 CG ASP A 68 11.030 -13.604 0.724 1.00 0.00 C ATOM 991 OD1 ASP A 68 10.193 -14.506 0.501 1.00 0.00 O ATOM 992 OD2 ASP A 68 12.007 -13.684 1.499 1.00 0.00 O ATOM 0 H ASP A 68 10.805 -10.532 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 68 10.097 -13.300 -1.763 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.818 -11.913 -0.330 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.429 -11.548 0.675 1.00 0.00 H new ATOM 997 N ARG A 69 7.833 -11.167 -1.219 1.00 0.00 N ATOM 998 CA ARG A 69 6.450 -10.923 -0.848 1.00 0.00 C ATOM 999 C ARG A 69 6.291 -10.972 0.673 1.00 0.00 C ATOM 1000 O ARG A 69 6.266 -12.050 1.264 1.00 0.00 O ATOM 1001 CB ARG A 69 5.518 -11.957 -1.484 1.00 0.00 C ATOM 1002 CG ARG A 69 5.514 -11.826 -3.009 1.00 0.00 C ATOM 1003 CD ARG A 69 4.361 -10.936 -3.479 1.00 0.00 C ATOM 1004 NE ARG A 69 4.009 -11.262 -4.879 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.463 -12.424 -5.265 1.00 0.00 C ATOM 1006 NH1 ARG A 69 3.204 -13.376 -4.359 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.176 -12.633 -6.558 1.00 0.00 N ATOM 0 H ARG A 69 8.240 -10.463 -1.835 1.00 0.00 H new ATOM 0 HA ARG A 69 6.179 -9.932 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.836 -12.961 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.506 -11.824 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.462 -11.406 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.424 -12.813 -3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.494 -11.079 -2.834 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.646 -9.887 -3.402 1.00 0.00 H new ATOM 0 HE ARG A 69 4.193 -10.559 -5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.422 -13.217 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.789 -14.260 -4.653 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.373 -11.908 -7.248 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.761 -13.517 -6.852 1.00 0.00 H new ATOM 1021 N ILE A 70 6.189 -9.790 1.263 1.00 0.00 N ATOM 1022 CA ILE A 70 6.034 -9.684 2.704 1.00 0.00 C ATOM 1023 C ILE A 70 4.560 -9.869 3.069 1.00 0.00 C ATOM 1024 O ILE A 70 3.714 -10.024 2.190 1.00 0.00 O ATOM 1025 CB ILE A 70 6.634 -8.372 3.213 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.880 -7.991 2.411 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.918 -8.444 4.714 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.872 -9.154 2.354 1.00 0.00 C ATOM 0 H ILE A 70 6.211 -8.898 0.769 1.00 0.00 H new ATOM 0 HA ILE A 70 6.589 -10.477 3.206 1.00 0.00 H new ATOM 0 HB ILE A 70 5.900 -7.580 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.592 -7.704 1.400 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.358 -7.123 2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.344 -7.498 5.049 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.989 -8.634 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.624 -9.251 4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.748 -8.857 1.778 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.176 -9.423 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.399 -10.013 1.877 1.00 0.00 H new ATOM 1040 N THR A 71 4.298 -9.848 4.368 1.00 0.00 N ATOM 1041 CA THR A 71 2.940 -10.012 4.860 1.00 0.00 C ATOM 1042 C THR A 71 2.623 -8.949 5.914 1.00 0.00 C ATOM 1043 O THR A 71 3.286 -8.878 6.948 1.00 0.00 O ATOM 1044 CB THR A 71 2.795 -11.444 5.378 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.850 -12.246 4.201 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.403 -11.720 5.952 1.00 0.00 C ATOM 0 H THR A 71 5.003 -9.720 5.094 1.00 0.00 H new ATOM 0 HA THR A 71 2.210 -9.863 4.064 1.00 0.00 H new ATOM 0 HB THR A 71 3.548 -11.631 6.144 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.765 -13.191 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.353 -12.750 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.211 -11.041 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.653 -11.566 5.177 1.00 0.00 H new ATOM 1054 N VAL A 72 1.610 -8.149 5.615 1.00 0.00 N ATOM 1055 CA VAL A 72 1.197 -7.094 6.524 1.00 0.00 C ATOM 1056 C VAL A 72 -0.079 -7.522 7.251 1.00 0.00 C ATOM 1057 O VAL A 72 -1.142 -7.622 6.640 1.00 0.00 O ATOM 1058 CB VAL A 72 1.037 -5.778 5.760 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.656 -4.637 6.706 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.307 -5.440 4.977 1.00 0.00 C ATOM 0 H VAL A 72 1.063 -8.210 4.756 1.00 0.00 H new ATOM 0 HA VAL A 72 1.961 -6.924 7.283 1.00 0.00 H new ATOM 0 HB VAL A 72 0.225 -5.904 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.549 -3.713 6.137 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.288 -4.872 7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.436 -4.512 7.458 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.166 -4.500 4.443 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.145 -5.343 5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.516 -6.236 4.262 1.00 0.00 H new ATOM 1070 N ARG A 73 0.068 -7.764 8.545 1.00 0.00 N ATOM 1071 CA ARG A 73 -1.060 -8.180 9.362 1.00 0.00 C ATOM 1072 C ARG A 73 -1.314 -7.161 10.474 1.00 0.00 C ATOM 1073 O ARG A 73 -2.265 -7.300 11.243 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.811 -9.554 9.986 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.860 -10.656 8.925 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.667 -11.858 9.420 1.00 0.00 C ATOM 1077 NE ARG A 73 -2.183 -12.630 8.267 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.176 -13.526 8.347 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -3.766 -13.769 9.525 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -3.578 -14.180 7.249 1.00 0.00 N ATOM 0 H ARG A 73 0.951 -7.680 9.048 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.934 -8.241 8.714 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.161 -9.562 10.479 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.560 -9.750 10.754 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.306 -10.266 8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.153 -10.971 8.676 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.040 -12.495 10.044 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.496 -11.519 10.042 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.756 -12.470 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.459 -13.272 10.361 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.522 -14.451 9.586 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.128 -13.996 6.352 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.334 -14.862 7.310 1.00 0.00 H new ATOM 1094 N SER A 74 -0.449 -6.159 10.524 1.00 0.00 N ATOM 1095 CA SER A 74 -0.568 -5.116 11.530 1.00 0.00 C ATOM 1096 C SER A 74 0.121 -3.840 11.044 1.00 0.00 C ATOM 1097 O SER A 74 1.025 -3.896 10.212 1.00 0.00 O ATOM 1098 CB SER A 74 0.030 -5.567 12.864 1.00 0.00 C ATOM 1099 OG SER A 74 1.454 -5.531 12.851 1.00 0.00 O ATOM 0 H SER A 74 0.338 -6.047 9.884 1.00 0.00 H new ATOM 0 HA SER A 74 -1.627 -4.912 11.688 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.341 -4.925 13.663 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.305 -6.580 13.087 1.00 0.00 H new ATOM 0 HG SER A 74 1.797 -6.327 12.393 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.333 -2.718 11.584 1.00 0.00 N ATOM 1106 CA ASP A 75 0.229 -1.430 11.216 1.00 0.00 C ATOM 1107 C ASP A 75 1.755 -1.531 11.195 1.00 0.00 C ATOM 1108 O ASP A 75 2.403 -1.010 10.288 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.160 -0.350 12.228 1.00 0.00 C ATOM 1110 CG ASP A 75 0.168 -0.682 13.686 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.236 -1.782 14.122 1.00 0.00 O ATOM 1112 OD2 ASP A 75 0.815 0.171 14.330 1.00 0.00 O ATOM 0 H ASP A 75 -1.084 -2.675 12.273 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.160 -1.161 10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.346 0.577 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.231 -0.164 12.145 1.00 0.00 H new ATOM 1117 N GLU A 76 2.286 -2.205 12.205 1.00 0.00 N ATOM 1118 CA GLU A 76 3.724 -2.380 12.313 1.00 0.00 C ATOM 1119 C GLU A 76 4.313 -2.782 10.960 1.00 0.00 C ATOM 1120 O GLU A 76 5.243 -2.143 10.470 1.00 0.00 O ATOM 1121 CB GLU A 76 4.070 -3.411 13.390 1.00 0.00 C ATOM 1122 CG GLU A 76 5.569 -3.399 13.698 1.00 0.00 C ATOM 1123 CD GLU A 76 6.061 -4.797 14.082 1.00 0.00 C ATOM 1124 OE1 GLU A 76 5.301 -5.490 14.792 1.00 0.00 O ATOM 1125 OE2 GLU A 76 7.185 -5.139 13.656 1.00 0.00 O ATOM 0 H GLU A 76 1.746 -2.636 12.955 1.00 0.00 H new ATOM 0 HA GLU A 76 4.165 -1.429 12.611 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.507 -3.197 14.298 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.771 -4.405 13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.120 -3.042 12.828 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.771 -2.702 14.511 1.00 0.00 H new ATOM 1132 N GLU A 77 3.748 -3.839 10.395 1.00 0.00 N ATOM 1133 CA GLU A 77 4.206 -4.333 9.107 1.00 0.00 C ATOM 1134 C GLU A 77 4.021 -3.262 8.031 1.00 0.00 C ATOM 1135 O GLU A 77 4.921 -3.022 7.228 1.00 0.00 O ATOM 1136 CB GLU A 77 3.480 -5.625 8.726 1.00 0.00 C ATOM 1137 CG GLU A 77 4.071 -6.826 9.468 1.00 0.00 C ATOM 1138 CD GLU A 77 3.041 -7.447 10.414 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.168 -8.180 9.899 1.00 0.00 O ATOM 1140 OE2 GLU A 77 3.150 -7.176 11.629 1.00 0.00 O ATOM 0 H GLU A 77 2.978 -4.367 10.805 1.00 0.00 H new ATOM 0 HA GLU A 77 5.269 -4.562 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.420 -5.533 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.555 -5.785 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.407 -7.573 8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.948 -6.513 10.034 1.00 0.00 H new ATOM 1147 N MET A 78 2.847 -2.647 8.049 1.00 0.00 N ATOM 1148 CA MET A 78 2.532 -1.608 7.084 1.00 0.00 C ATOM 1149 C MET A 78 3.692 -0.619 6.945 1.00 0.00 C ATOM 1150 O MET A 78 4.283 -0.497 5.873 1.00 0.00 O ATOM 1151 CB MET A 78 1.275 -0.859 7.531 1.00 0.00 C ATOM 1152 CG MET A 78 0.171 -0.962 6.477 1.00 0.00 C ATOM 1153 SD MET A 78 0.211 0.468 5.410 1.00 0.00 S ATOM 1154 CE MET A 78 -1.060 1.461 6.175 1.00 0.00 C ATOM 0 H MET A 78 2.103 -2.849 8.717 1.00 0.00 H new ATOM 0 HA MET A 78 2.361 -2.078 6.116 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.920 -1.269 8.476 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.516 0.189 7.709 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.303 -1.869 5.888 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.802 -1.036 6.963 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.807 2.516 6.074 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.015 1.268 5.687 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.135 1.205 7.232 1.00 0.00 H new ATOM 1164 N LYS A 79 3.983 0.061 8.044 1.00 0.00 N ATOM 1165 CA LYS A 79 5.062 1.034 8.058 1.00 0.00 C ATOM 1166 C LYS A 79 6.295 0.432 7.382 1.00 0.00 C ATOM 1167 O LYS A 79 7.134 1.159 6.851 1.00 0.00 O ATOM 1168 CB LYS A 79 5.320 1.527 9.483 1.00 0.00 C ATOM 1169 CG LYS A 79 4.392 2.691 9.838 1.00 0.00 C ATOM 1170 CD LYS A 79 4.015 2.659 11.320 1.00 0.00 C ATOM 1171 CE LYS A 79 5.090 3.336 12.173 1.00 0.00 C ATOM 1172 NZ LYS A 79 4.506 4.447 12.957 1.00 0.00 N ATOM 0 H LYS A 79 3.490 -0.043 8.931 1.00 0.00 H new ATOM 0 HA LYS A 79 4.785 1.919 7.485 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.169 0.709 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.359 1.843 9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.882 3.636 9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.490 2.641 9.228 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.059 3.162 11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.885 1.626 11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.542 2.607 12.845 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.886 3.715 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.249 4.895 13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.096 5.150 12.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.762 4.077 13.583 1.00 0.00 H new ATOM 1186 N ALA A 80 6.367 -0.890 7.424 1.00 0.00 N ATOM 1187 CA ALA A 80 7.485 -1.598 6.823 1.00 0.00 C ATOM 1188 C ALA A 80 7.331 -1.586 5.301 1.00 0.00 C ATOM 1189 O ALA A 80 8.236 -1.160 4.585 1.00 0.00 O ATOM 1190 CB ALA A 80 7.555 -3.017 7.391 1.00 0.00 C ATOM 0 H ALA A 80 5.670 -1.490 7.865 1.00 0.00 H new ATOM 0 HA ALA A 80 8.426 -1.104 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.393 -3.548 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.693 -2.970 8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.628 -3.545 7.167 1.00 0.00 H new ATOM 1196 N MET A 81 6.177 -2.058 4.851 1.00 0.00 N ATOM 1197 CA MET A 81 5.893 -2.107 3.427 1.00 0.00 C ATOM 1198 C MET A 81 6.119 -0.741 2.776 1.00 0.00 C ATOM 1199 O MET A 81 6.645 -0.657 1.667 1.00 0.00 O ATOM 1200 CB MET A 81 4.443 -2.543 3.210 1.00 0.00 C ATOM 1201 CG MET A 81 4.012 -2.311 1.760 1.00 0.00 C ATOM 1202 SD MET A 81 2.316 -2.822 1.539 1.00 0.00 S ATOM 1203 CE MET A 81 1.473 -1.387 2.183 1.00 0.00 C ATOM 0 H MET A 81 5.428 -2.410 5.448 1.00 0.00 H new ATOM 0 HA MET A 81 6.570 -2.825 2.965 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.335 -3.598 3.461 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.788 -1.987 3.881 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.119 -1.257 1.504 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.660 -2.870 1.085 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.647 -1.123 1.523 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.086 -1.608 3.178 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.171 -0.552 2.243 1.00 0.00 H new ATOM 1213 N LEU A 82 5.710 0.296 3.492 1.00 0.00 N ATOM 1214 CA LEU A 82 5.861 1.654 2.998 1.00 0.00 C ATOM 1215 C LEU A 82 7.335 2.058 3.073 1.00 0.00 C ATOM 1216 O LEU A 82 7.815 2.826 2.240 1.00 0.00 O ATOM 1217 CB LEU A 82 4.924 2.604 3.747 1.00 0.00 C ATOM 1218 CG LEU A 82 3.442 2.511 3.380 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.558 2.758 4.604 1.00 0.00 C ATOM 1220 CD2 LEU A 82 3.102 3.457 2.227 1.00 0.00 C ATOM 0 H LEU A 82 5.274 0.223 4.411 1.00 0.00 H new ATOM 0 HA LEU A 82 5.566 1.713 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.026 2.415 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.258 3.626 3.570 1.00 0.00 H new ATOM 0 HG LEU A 82 3.238 1.497 3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.509 2.686 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.777 2.011 5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.758 3.753 5.002 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.042 3.371 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.325 4.483 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.696 3.192 1.352 1.00 0.00 H new ATOM 1232 N SER A 83 8.012 1.523 4.078 1.00 0.00 N ATOM 1233 CA SER A 83 9.422 1.818 4.272 1.00 0.00 C ATOM 1234 C SER A 83 10.231 1.315 3.076 1.00 0.00 C ATOM 1235 O SER A 83 11.324 1.812 2.808 1.00 0.00 O ATOM 1236 CB SER A 83 9.942 1.192 5.568 1.00 0.00 C ATOM 1237 OG SER A 83 11.355 1.330 5.697 1.00 0.00 O ATOM 0 H SER A 83 7.611 0.887 4.767 1.00 0.00 H new ATOM 0 HA SER A 83 9.538 2.899 4.351 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.452 1.663 6.420 1.00 0.00 H new ATOM 0 HB3 SER A 83 9.677 0.135 5.592 1.00 0.00 H new ATOM 0 HG SER A 83 11.648 0.920 6.537 1.00 0.00 H new ATOM 1243 N TYR A 84 9.665 0.334 2.389 1.00 0.00 N ATOM 1244 CA TYR A 84 10.320 -0.243 1.228 1.00 0.00 C ATOM 1245 C TYR A 84 9.948 0.518 -0.046 1.00 0.00 C ATOM 1246 O TYR A 84 10.817 0.856 -0.848 1.00 0.00 O ATOM 1247 CB TYR A 84 9.802 -1.678 1.120 1.00 0.00 C ATOM 1248 CG TYR A 84 9.918 -2.278 -0.283 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.075 -2.926 -0.663 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.864 -2.171 -1.168 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.184 -3.490 -1.983 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.973 -2.735 -2.488 1.00 0.00 C ATOM 1253 CZ TYR A 84 10.127 -3.367 -2.831 1.00 0.00 C ATOM 1254 OH TYR A 84 10.230 -3.900 -4.078 1.00 0.00 O ATOM 0 H TYR A 84 8.759 -0.076 2.615 1.00 0.00 H new ATOM 0 HA TYR A 84 11.404 -0.197 1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.354 -2.306 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.757 -1.700 1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.899 -3.010 0.030 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.958 -1.664 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.084 -3.999 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.156 -2.658 -3.190 1.00 0.00 H new ATOM 0 HH TYR A 84 11.121 -4.291 -4.194 1.00 0.00 H new ATOM 1264 N TYR A 85 8.655 0.766 -0.193 1.00 0.00 N ATOM 1265 CA TYR A 85 8.157 1.480 -1.356 1.00 0.00 C ATOM 1266 C TYR A 85 8.904 2.802 -1.549 1.00 0.00 C ATOM 1267 O TYR A 85 9.295 3.140 -2.665 1.00 0.00 O ATOM 1268 CB TYR A 85 6.684 1.778 -1.068 1.00 0.00 C ATOM 1269 CG TYR A 85 5.908 2.304 -2.278 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.537 1.440 -3.288 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.578 3.642 -2.358 1.00 0.00 C ATOM 1272 CE1 TYR A 85 4.807 1.934 -4.427 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.848 4.136 -3.497 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.498 3.258 -4.475 1.00 0.00 C ATOM 1275 OH TYR A 85 3.809 3.725 -5.550 1.00 0.00 O ATOM 0 H TYR A 85 7.937 0.485 0.475 1.00 0.00 H new ATOM 0 HA TYR A 85 8.295 0.886 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.203 0.868 -0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.623 2.511 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.794 0.393 -3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.867 4.318 -1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.512 1.269 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.584 5.181 -3.573 1.00 0.00 H new ATOM 0 HH TYR A 85 4.090 3.240 -6.354 1.00 0.00 H new ATOM 1285 N TYR A 86 9.079 3.512 -0.444 1.00 0.00 N ATOM 1286 CA TYR A 86 9.773 4.788 -0.478 1.00 0.00 C ATOM 1287 C TYR A 86 11.275 4.591 -0.688 1.00 0.00 C ATOM 1288 O TYR A 86 11.937 5.433 -1.293 1.00 0.00 O ATOM 1289 CB TYR A 86 9.542 5.430 0.892 1.00 0.00 C ATOM 1290 CG TYR A 86 8.066 5.599 1.259 1.00 0.00 C ATOM 1291 CD1 TYR A 86 7.112 5.678 0.264 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.688 5.673 2.584 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.723 5.838 0.609 1.00 0.00 C ATOM 1294 CE2 TYR A 86 6.299 5.832 2.929 1.00 0.00 C ATOM 1295 CZ TYR A 86 5.386 5.907 1.925 1.00 0.00 C ATOM 1296 OH TYR A 86 4.074 6.057 2.251 1.00 0.00 O ATOM 0 H TYR A 86 8.752 3.228 0.480 1.00 0.00 H new ATOM 0 HA TYR A 86 9.402 5.404 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 86 10.028 4.821 1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.025 6.407 0.910 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.407 5.620 -0.773 1.00 0.00 H new ATOM 0 HD2 TYR A 86 8.434 5.612 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.967 5.902 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.990 5.890 3.962 1.00 0.00 H new ATOM 0 HH TYR A 86 3.953 5.887 3.208 1.00 0.00 H new ATOM 1306 N SER A 87 11.770 3.473 -0.178 1.00 0.00 N ATOM 1307 CA SER A 87 13.182 3.154 -0.302 1.00 0.00 C ATOM 1308 C SER A 87 13.490 2.691 -1.727 1.00 0.00 C ATOM 1309 O SER A 87 14.617 2.832 -2.200 1.00 0.00 O ATOM 1310 CB SER A 87 13.595 2.080 0.706 1.00 0.00 C ATOM 1311 OG SER A 87 14.290 2.633 1.820 1.00 0.00 O ATOM 0 H SER A 87 11.218 2.776 0.322 1.00 0.00 H new ATOM 0 HA SER A 87 13.756 4.055 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.708 1.552 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.229 1.344 0.212 1.00 0.00 H new ATOM 0 HG SER A 87 14.535 1.916 2.441 1.00 0.00 H new ATOM 1317 N THR A 88 12.469 2.147 -2.373 1.00 0.00 N ATOM 1318 CA THR A 88 12.617 1.662 -3.734 1.00 0.00 C ATOM 1319 C THR A 88 12.157 2.726 -4.732 1.00 0.00 C ATOM 1320 O THR A 88 12.823 2.969 -5.738 1.00 0.00 O ATOM 1321 CB THR A 88 11.847 0.345 -3.853 1.00 0.00 C ATOM 1322 OG1 THR A 88 12.619 -0.426 -4.770 1.00 0.00 O ATOM 1323 CG2 THR A 88 10.498 0.516 -4.553 1.00 0.00 C ATOM 0 H THR A 88 11.536 2.032 -1.978 1.00 0.00 H new ATOM 0 HA THR A 88 13.663 1.467 -3.973 1.00 0.00 H new ATOM 0 HB THR A 88 11.689 -0.074 -2.859 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.193 -1.298 -4.904 1.00 0.00 H new ATOM 0 HG21 THR A 88 9.993 -0.448 -4.611 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.881 1.215 -3.988 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.657 0.903 -5.559 1.00 0.00 H new ATOM 1331 N VAL A 89 11.021 3.333 -4.420 1.00 0.00 N ATOM 1332 CA VAL A 89 10.464 4.366 -5.277 1.00 0.00 C ATOM 1333 C VAL A 89 11.544 5.406 -5.583 1.00 0.00 C ATOM 1334 O VAL A 89 11.839 5.675 -6.747 1.00 0.00 O ATOM 1335 CB VAL A 89 9.219 4.972 -4.625 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.894 6.339 -5.231 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.025 4.023 -4.739 1.00 0.00 C ATOM 0 H VAL A 89 10.471 3.129 -3.585 1.00 0.00 H new ATOM 0 HA VAL A 89 10.143 3.941 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 89 9.431 5.117 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.005 6.748 -4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.735 7.015 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.710 6.229 -6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.153 4.477 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.811 3.832 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.259 3.083 -4.240 1.00 0.00 H new ATOM 1347 N MET A 90 12.105 5.961 -4.519 1.00 0.00 N ATOM 1348 CA MET A 90 13.146 6.965 -4.660 1.00 0.00 C ATOM 1349 C MET A 90 14.269 6.467 -5.572 1.00 0.00 C ATOM 1350 O MET A 90 14.936 7.261 -6.232 1.00 0.00 O ATOM 1351 CB MET A 90 13.719 7.303 -3.282 1.00 0.00 C ATOM 1352 CG MET A 90 14.842 6.335 -2.903 1.00 0.00 C ATOM 1353 SD MET A 90 16.401 6.931 -3.535 1.00 0.00 S ATOM 1354 CE MET A 90 17.366 6.926 -2.033 1.00 0.00 C ATOM 0 H MET A 90 11.858 5.735 -3.556 1.00 0.00 H new ATOM 0 HA MET A 90 12.707 7.856 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 90 14.099 8.324 -3.283 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.927 7.258 -2.534 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.895 6.233 -1.819 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.631 5.345 -3.307 1.00 0.00 H new ATOM 0 HE1 MET A 90 18.376 7.274 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.903 7.587 -1.301 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.409 5.914 -1.631 1.00 0.00 H new ATOM 1364 N GLU A 91 14.443 5.153 -5.579 1.00 0.00 N ATOM 1365 CA GLU A 91 15.473 4.539 -6.399 1.00 0.00 C ATOM 1366 C GLU A 91 15.010 4.450 -7.855 1.00 0.00 C ATOM 1367 O GLU A 91 15.831 4.431 -8.771 1.00 0.00 O ATOM 1368 CB GLU A 91 15.854 3.159 -5.859 1.00 0.00 C ATOM 1369 CG GLU A 91 16.874 3.276 -4.725 1.00 0.00 C ATOM 1370 CD GLU A 91 18.294 3.412 -5.277 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.658 2.566 -6.122 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.984 4.360 -4.842 1.00 0.00 O ATOM 0 H GLU A 91 13.888 4.497 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 91 16.363 5.166 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.962 2.647 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.268 2.551 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.637 4.141 -4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.812 2.397 -4.083 1.00 0.00 H new ATOM 1379 N GLN A 92 13.697 4.398 -8.022 1.00 0.00 N ATOM 1380 CA GLN A 92 13.115 4.311 -9.351 1.00 0.00 C ATOM 1381 C GLN A 92 13.195 5.667 -10.055 1.00 0.00 C ATOM 1382 O GLN A 92 13.159 5.736 -11.283 1.00 0.00 O ATOM 1383 CB GLN A 92 11.670 3.812 -9.285 1.00 0.00 C ATOM 1384 CG GLN A 92 11.621 2.306 -9.019 1.00 0.00 C ATOM 1385 CD GLN A 92 10.272 1.718 -9.439 1.00 0.00 C ATOM 1386 OE1 GLN A 92 9.567 1.099 -8.660 1.00 0.00 O ATOM 1387 NE2 GLN A 92 9.955 1.947 -10.710 1.00 0.00 N ATOM 0 H GLN A 92 13.020 4.414 -7.260 1.00 0.00 H new ATOM 0 HA GLN A 92 13.688 3.588 -9.931 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.134 4.342 -8.497 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.161 4.036 -10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.424 1.810 -9.565 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.791 2.115 -7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.592 2.473 -11.308 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.075 1.596 -11.087 1.00 0.00 H new ATOM 1396 N GLN A 93 13.302 6.712 -9.247 1.00 0.00 N ATOM 1397 CA GLN A 93 13.388 8.062 -9.778 1.00 0.00 C ATOM 1398 C GLN A 93 14.834 8.396 -10.148 1.00 0.00 C ATOM 1399 O GLN A 93 15.100 8.894 -11.241 1.00 0.00 O ATOM 1400 CB GLN A 93 12.828 9.079 -8.781 1.00 0.00 C ATOM 1401 CG GLN A 93 11.392 8.726 -8.386 1.00 0.00 C ATOM 1402 CD GLN A 93 10.517 9.979 -8.324 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.682 10.922 -9.082 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.579 9.938 -7.382 1.00 0.00 N ATOM 0 H GLN A 93 13.331 6.651 -8.229 1.00 0.00 H new ATOM 0 HA GLN A 93 12.781 8.116 -10.682 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.457 9.106 -7.892 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.854 10.076 -9.220 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.975 8.022 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.390 8.228 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.495 9.118 -6.781 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.943 10.727 -7.260 1.00 0.00 H new ATOM 1413 N VAL A 94 15.731 8.109 -9.216 1.00 0.00 N ATOM 1414 CA VAL A 94 17.144 8.373 -9.430 1.00 0.00 C ATOM 1415 C VAL A 94 17.618 7.611 -10.670 1.00 0.00 C ATOM 1416 O VAL A 94 18.543 8.046 -11.354 1.00 0.00 O ATOM 1417 CB VAL A 94 17.939 8.020 -8.171 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.263 8.584 -6.920 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.137 6.508 -8.053 1.00 0.00 C ATOM 0 H VAL A 94 15.507 7.696 -8.311 1.00 0.00 H new ATOM 0 HA VAL A 94 17.311 9.434 -9.616 1.00 0.00 H new ATOM 0 HB VAL A 94 18.923 8.480 -8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.848 8.319 -6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.198 9.669 -6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.260 8.166 -6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.705 6.285 -7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.165 6.017 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.682 6.143 -8.924 1.00 0.00 H new ATOM 1429 N ASN A 95 16.963 6.487 -10.921 1.00 0.00 N ATOM 1430 CA ASN A 95 17.306 5.661 -12.066 1.00 0.00 C ATOM 1431 C ASN A 95 16.778 6.321 -13.342 1.00 0.00 C ATOM 1432 O ASN A 95 17.556 6.700 -14.216 1.00 0.00 O ATOM 1433 CB ASN A 95 16.671 4.274 -11.954 1.00 0.00 C ATOM 1434 CG ASN A 95 17.742 3.183 -11.903 1.00 0.00 C ATOM 1435 OD1 ASN A 95 17.978 2.463 -12.860 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.375 3.101 -10.737 1.00 0.00 N ATOM 0 H ASN A 95 16.197 6.129 -10.351 1.00 0.00 H new ATOM 0 HA ASN A 95 18.391 5.560 -12.096 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.053 4.224 -11.057 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.012 4.102 -12.805 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.108 2.404 -10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.128 3.735 -9.977 1.00 0.00 H new ATOM 1443 N GLY A 96 15.460 6.437 -13.409 1.00 0.00 N ATOM 1444 CA GLY A 96 14.820 7.045 -14.563 1.00 0.00 C ATOM 1445 C GLY A 96 13.383 6.543 -14.720 1.00 0.00 C ATOM 1446 O GLY A 96 12.439 7.331 -14.685 1.00 0.00 O ATOM 0 H GLY A 96 14.818 6.120 -12.683 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.820 8.130 -14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.390 6.815 -15.463 1.00 0.00 H new ATOM 1450 N GLN A 97 13.262 5.235 -14.889 1.00 0.00 N ATOM 1451 CA GLN A 97 11.956 4.619 -15.052 1.00 0.00 C ATOM 1452 C GLN A 97 10.939 5.276 -14.116 1.00 0.00 C ATOM 1453 O GLN A 97 11.305 5.795 -13.063 1.00 0.00 O ATOM 1454 CB GLN A 97 12.028 3.109 -14.811 1.00 0.00 C ATOM 1455 CG GLN A 97 12.750 2.798 -13.498 1.00 0.00 C ATOM 1456 CD GLN A 97 12.919 1.289 -13.310 1.00 0.00 C ATOM 1457 OE1 GLN A 97 12.370 0.481 -14.041 1.00 0.00 O ATOM 1458 NE2 GLN A 97 13.707 0.955 -12.292 1.00 0.00 N ATOM 0 H GLN A 97 14.047 4.584 -14.917 1.00 0.00 H new ATOM 0 HA GLN A 97 11.628 4.774 -16.080 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.021 2.693 -14.784 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.549 2.629 -15.639 1.00 0.00 H new ATOM 0 HG2 GLN A 97 13.727 3.281 -13.493 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.186 3.211 -12.662 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.136 1.682 -11.719 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.883 -0.028 -12.084 1.00 0.00 H new ATOM 1467 N LEU A 98 9.683 5.231 -14.535 1.00 0.00 N ATOM 1468 CA LEU A 98 8.611 5.816 -13.748 1.00 0.00 C ATOM 1469 C LEU A 98 8.371 4.957 -12.504 1.00 0.00 C ATOM 1470 O LEU A 98 8.746 3.786 -12.472 1.00 0.00 O ATOM 1471 CB LEU A 98 7.361 6.014 -14.608 1.00 0.00 C ATOM 1472 CG LEU A 98 7.264 7.348 -15.351 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.209 7.284 -16.457 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.005 8.500 -14.378 1.00 0.00 C ATOM 0 H LEU A 98 9.384 4.799 -15.409 1.00 0.00 H new ATOM 0 HA LEU A 98 8.892 6.810 -13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.317 5.208 -15.341 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.484 5.912 -13.969 1.00 0.00 H new ATOM 0 HG LEU A 98 8.223 7.542 -15.832 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.160 8.245 -16.969 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.477 6.505 -17.171 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.237 7.056 -16.020 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.940 9.437 -14.932 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.068 8.326 -13.849 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.822 8.559 -13.659 1.00 0.00 H new ATOM 1486 N ILE A 99 7.746 5.573 -11.511 1.00 0.00 N ATOM 1487 CA ILE A 99 7.451 4.880 -10.268 1.00 0.00 C ATOM 1488 C ILE A 99 6.393 3.805 -10.527 1.00 0.00 C ATOM 1489 O ILE A 99 5.570 3.945 -11.431 1.00 0.00 O ATOM 1490 CB ILE A 99 7.059 5.878 -9.178 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.168 6.909 -8.954 1.00 0.00 C ATOM 1492 CG2 ILE A 99 6.679 5.156 -7.884 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.464 6.231 -8.504 1.00 0.00 C ATOM 0 H ILE A 99 7.436 6.544 -11.542 1.00 0.00 H new ATOM 0 HA ILE A 99 8.340 4.370 -9.896 1.00 0.00 H new ATOM 0 HB ILE A 99 6.176 6.422 -9.515 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.345 7.464 -9.875 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.851 7.632 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.405 5.889 -7.125 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.834 4.494 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.528 4.570 -7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.236 6.986 -8.352 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.290 5.697 -7.570 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.791 5.527 -9.269 1.00 0.00 H new ATOM 1505 N GLU A 100 6.449 2.758 -9.718 1.00 0.00 N ATOM 1506 CA GLU A 100 5.506 1.660 -9.848 1.00 0.00 C ATOM 1507 C GLU A 100 4.526 1.660 -8.673 1.00 0.00 C ATOM 1508 O GLU A 100 4.851 2.145 -7.590 1.00 0.00 O ATOM 1509 CB GLU A 100 6.235 0.320 -9.955 1.00 0.00 C ATOM 1510 CG GLU A 100 6.823 0.125 -11.354 1.00 0.00 C ATOM 1511 CD GLU A 100 5.839 -0.613 -12.264 1.00 0.00 C ATOM 1512 OE1 GLU A 100 4.821 0.016 -12.626 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.127 -1.788 -12.577 1.00 0.00 O ATOM 0 H GLU A 100 7.133 2.646 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 100 4.939 1.801 -10.768 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.032 0.275 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.544 -0.493 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.068 1.094 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.754 -0.438 -11.286 1.00 0.00 H new ATOM 1520 N PRO A 101 3.316 1.096 -8.933 1.00 0.00 N ATOM 1521 CA PRO A 101 2.288 1.026 -7.909 1.00 0.00 C ATOM 1522 C PRO A 101 2.611 -0.059 -6.880 1.00 0.00 C ATOM 1523 O PRO A 101 3.091 -1.135 -7.236 1.00 0.00 O ATOM 1524 CB PRO A 101 0.997 0.760 -8.666 1.00 0.00 C ATOM 1525 CG PRO A 101 1.414 0.231 -10.028 1.00 0.00 C ATOM 1526 CD PRO A 101 2.897 0.512 -10.203 1.00 0.00 C ATOM 0 HA PRO A 101 2.212 1.944 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.377 0.035 -8.138 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.407 1.671 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.217 -0.839 -10.099 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.838 0.714 -10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.450 -0.402 -10.420 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.075 1.197 -11.032 1.00 0.00 H new ATOM 1534 N LEU A 102 2.336 0.260 -5.624 1.00 0.00 N ATOM 1535 CA LEU A 102 2.592 -0.674 -4.541 1.00 0.00 C ATOM 1536 C LEU A 102 1.872 -1.992 -4.829 1.00 0.00 C ATOM 1537 O LEU A 102 0.725 -2.179 -4.426 1.00 0.00 O ATOM 1538 CB LEU A 102 2.216 -0.050 -3.195 1.00 0.00 C ATOM 1539 CG LEU A 102 2.505 -0.901 -1.957 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.945 -1.416 -1.970 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.184 -0.131 -0.675 1.00 0.00 C ATOM 0 H LEU A 102 1.938 1.153 -5.332 1.00 0.00 H new ATOM 0 HA LEU A 102 3.657 -0.899 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.749 0.896 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.152 0.184 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 102 1.851 -1.772 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.124 -2.018 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.105 -2.027 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.634 -0.571 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.398 -0.759 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.795 0.771 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.129 0.145 -0.671 1.00 0.00 H new ATOM 1553 N GLN A 103 2.575 -2.873 -5.526 1.00 0.00 N ATOM 1554 CA GLN A 103 2.017 -4.169 -5.874 1.00 0.00 C ATOM 1555 C GLN A 103 1.744 -4.986 -4.609 1.00 0.00 C ATOM 1556 O GLN A 103 2.658 -5.582 -4.041 1.00 0.00 O ATOM 1557 CB GLN A 103 2.944 -4.927 -6.827 1.00 0.00 C ATOM 1558 CG GLN A 103 2.245 -6.159 -7.406 1.00 0.00 C ATOM 1559 CD GLN A 103 3.091 -6.801 -8.508 1.00 0.00 C ATOM 1560 OE1 GLN A 103 4.041 -6.225 -9.012 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.694 -8.022 -8.852 1.00 0.00 N ATOM 0 H GLN A 103 3.526 -2.715 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 103 1.071 -4.009 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.257 -4.268 -7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.846 -5.232 -6.297 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.063 -6.884 -6.613 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.273 -5.875 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.890 -8.446 -8.389 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.194 -8.535 -9.579 1.00 0.00 H new ATOM 1570 N ILE A 104 0.482 -4.987 -4.205 1.00 0.00 N ATOM 1571 CA ILE A 104 0.078 -5.721 -3.018 1.00 0.00 C ATOM 1572 C ILE A 104 -0.837 -6.878 -3.426 1.00 0.00 C ATOM 1573 O ILE A 104 -1.307 -6.932 -4.562 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.548 -4.776 -1.991 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.756 -4.046 -2.582 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.494 -3.803 -1.435 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.686 -3.542 -1.477 1.00 0.00 C ATOM 0 H ILE A 104 -0.274 -4.492 -4.678 1.00 0.00 H new ATOM 0 HA ILE A 104 0.947 -6.159 -2.527 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.911 -5.373 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.417 -3.206 -3.188 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.303 -4.717 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.023 -3.142 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.294 -4.364 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.908 -3.209 -2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.536 -3.027 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.042 -4.387 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.143 -2.852 -0.831 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.062 -7.775 -2.478 1.00 0.00 N ATOM 1590 CA PHE A 105 -1.912 -8.927 -2.724 1.00 0.00 C ATOM 1591 C PHE A 105 -2.868 -9.165 -1.553 1.00 0.00 C ATOM 1592 O PHE A 105 -2.433 -9.300 -0.410 1.00 0.00 O ATOM 1593 CB PHE A 105 -0.991 -10.140 -2.868 1.00 0.00 C ATOM 1594 CG PHE A 105 0.092 -9.975 -3.936 1.00 0.00 C ATOM 1595 CD1 PHE A 105 1.287 -9.412 -3.611 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.139 -10.390 -5.210 1.00 0.00 C ATOM 1597 CE1 PHE A 105 2.293 -9.259 -4.602 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.866 -10.237 -6.201 1.00 0.00 C ATOM 1599 CZ PHE A 105 2.061 -9.675 -5.876 1.00 0.00 C ATOM 0 H PHE A 105 -0.670 -7.727 -1.537 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.511 -8.761 -3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.513 -10.337 -1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.594 -11.015 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.471 -9.081 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.088 -10.836 -5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 105 3.242 -8.812 -4.344 1.00 0.00 H new ATOM 0 HE2 PHE A 105 0.682 -10.567 -7.213 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.826 -9.559 -6.630 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.186 -9.209 -1.886 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.206 -9.427 -0.875 1.00 0.00 C ATOM 1611 C PRO A 106 -5.234 -10.891 -0.431 1.00 0.00 C ATOM 1612 O PRO A 106 -5.515 -11.781 -1.232 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.505 -8.979 -1.525 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.240 -8.965 -3.021 1.00 0.00 C ATOM 1615 CD PRO A 106 -4.737 -9.053 -3.229 1.00 0.00 C ATOM 0 HA PRO A 106 -5.019 -8.865 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.320 -9.660 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.798 -7.991 -1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.742 -9.802 -3.505 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.635 -8.054 -3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.474 -9.898 -3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.351 -8.156 -3.714 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.938 -11.095 0.844 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.925 -12.436 1.404 1.00 0.00 C ATOM 1625 C ARG A 107 -6.323 -12.820 1.894 1.00 0.00 C ATOM 1626 O ARG A 107 -6.636 -12.662 3.073 1.00 0.00 O ATOM 1627 CB ARG A 107 -3.938 -12.536 2.569 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.555 -12.972 2.080 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.835 -13.804 3.143 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.470 -15.127 2.588 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.319 -16.158 2.484 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -3.588 -16.026 2.896 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.901 -17.322 1.968 1.00 0.00 N ATOM 0 H ARG A 107 -4.705 -10.354 1.505 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.611 -13.122 0.617 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.863 -11.571 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.309 -13.250 3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.656 -13.554 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.958 -12.093 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.939 -13.282 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.477 -13.931 4.014 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.512 -15.262 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.907 -15.140 3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.234 -16.811 2.817 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.936 -17.423 1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -2.548 -18.107 1.889 1.00 0.00 H new ATOM 1647 N SER A 108 -7.126 -13.316 0.964 1.00 0.00 N ATOM 1648 CA SER A 108 -8.482 -13.723 1.287 1.00 0.00 C ATOM 1649 C SER A 108 -8.473 -15.113 1.928 1.00 0.00 C ATOM 1650 O SER A 108 -8.182 -16.105 1.262 1.00 0.00 O ATOM 1651 CB SER A 108 -9.370 -13.719 0.041 1.00 0.00 C ATOM 1652 OG SER A 108 -9.023 -12.669 -0.858 1.00 0.00 O ATOM 0 H SER A 108 -6.863 -13.445 -0.013 1.00 0.00 H new ATOM 0 HA SER A 108 -8.894 -13.005 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.282 -14.678 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.413 -13.611 0.339 1.00 0.00 H new ATOM 0 HG SER A 108 -8.715 -11.890 -0.349 1.00 0.00 H new ATOM 1658 N GLY A 109 -8.796 -15.139 3.212 1.00 0.00 N ATOM 1659 CA GLY A 109 -8.829 -16.390 3.950 1.00 0.00 C ATOM 1660 C GLY A 109 -9.796 -16.305 5.132 1.00 0.00 C ATOM 1661 O GLY A 109 -10.566 -15.351 5.242 1.00 0.00 O ATOM 0 H GLY A 109 -9.037 -14.314 3.761 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.131 -17.200 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.829 -16.630 4.311 1.00 0.00 H new ATOM 1665 N PRO A 110 -9.724 -17.341 6.010 1.00 0.00 N ATOM 1666 CA PRO A 110 -10.584 -17.392 7.180 1.00 0.00 C ATOM 1667 C PRO A 110 -10.112 -16.407 8.251 1.00 0.00 C ATOM 1668 O PRO A 110 -8.925 -16.094 8.332 1.00 0.00 O ATOM 1669 CB PRO A 110 -10.535 -18.839 7.642 1.00 0.00 C ATOM 1670 CG PRO A 110 -9.295 -19.440 7.000 1.00 0.00 C ATOM 1671 CD PRO A 110 -8.825 -18.487 5.913 1.00 0.00 C ATOM 0 HA PRO A 110 -11.609 -17.092 6.961 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.481 -18.900 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -11.433 -19.377 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.512 -19.586 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.520 -20.419 6.578 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.788 -18.191 6.068 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.880 -18.951 4.928 1.00 0.00 H new ATOM 1679 N SER A 111 -11.066 -15.945 9.047 1.00 0.00 N ATOM 1680 CA SER A 111 -10.762 -15.002 10.109 1.00 0.00 C ATOM 1681 C SER A 111 -10.991 -15.657 11.473 1.00 0.00 C ATOM 1682 O SER A 111 -12.095 -16.112 11.769 1.00 0.00 O ATOM 1683 CB SER A 111 -11.611 -13.735 9.980 1.00 0.00 C ATOM 1684 OG SER A 111 -12.976 -13.971 10.315 1.00 0.00 O ATOM 0 H SER A 111 -12.049 -16.207 8.977 1.00 0.00 H new ATOM 0 HA SER A 111 -9.714 -14.716 10.022 1.00 0.00 H new ATOM 0 HB2 SER A 111 -11.207 -12.960 10.631 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.548 -13.359 8.959 1.00 0.00 H new ATOM 0 HG SER A 111 -13.039 -14.759 10.894 1.00 0.00 H new ATOM 1690 N SER A 112 -9.930 -15.686 12.266 1.00 0.00 N ATOM 1691 CA SER A 112 -10.002 -16.278 13.590 1.00 0.00 C ATOM 1692 C SER A 112 -10.395 -17.753 13.483 1.00 0.00 C ATOM 1693 O SER A 112 -11.482 -18.076 13.006 1.00 0.00 O ATOM 1694 CB SER A 112 -10.997 -15.527 14.477 1.00 0.00 C ATOM 1695 OG SER A 112 -10.409 -14.380 15.086 1.00 0.00 O ATOM 0 H SER A 112 -9.016 -15.309 12.017 1.00 0.00 H new ATOM 0 HA SER A 112 -9.017 -16.203 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 112 -11.856 -15.220 13.880 1.00 0.00 H new ATOM 0 HB3 SER A 112 -11.370 -16.197 15.251 1.00 0.00 H new ATOM 0 HG SER A 112 -11.076 -13.927 15.643 1.00 0.00 H new ATOM 1701 N GLY A 113 -9.489 -18.608 13.935 1.00 0.00 N ATOM 1702 CA GLY A 113 -9.728 -20.041 13.896 1.00 0.00 C ATOM 1703 C GLY A 113 -10.235 -20.475 12.520 1.00 0.00 C ATOM 1704 O GLY A 113 -11.118 -21.326 12.419 1.00 0.00 O ATOM 0 H GLY A 113 -8.589 -18.336 14.330 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -8.807 -20.573 14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.458 -20.312 14.659 1.00 0.00 H new TER 1708 GLY A 113