USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 638 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 33 SER OG : rot -43:sc= 1.15 USER MOD Set 1.2: A 44 GLN : amide:sc= -0.783 K(o=0.37,f=-0.46!) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0.0102 USER MOD Set 2.2: A 10 SER OG : rot -172:sc= 0.678 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 170:sc= -0.122 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.581 K(o=-0.58,f=-7.1!) USER MOD Single : A 13 THR OG1 : rot 162:sc= 1.3 USER MOD Single : A 15 LYS NZ :NH3+ -179:sc= 1.12 (180deg=1.11) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.05 K(o=-1,f=-6.7!) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0.443 (180deg=0.389) USER MOD Single : A 24 LYS NZ :NH3+ 166:sc= -0.0193 (180deg=-0.21) USER MOD Single : A 26 GLN : amide:sc= -0.0657 K(o=-0.066,f=-0.79) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 37:sc= 0.483 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.057 X(o=-0.057,f=-0.13) USER MOD Single : A 38 THR OG1 : rot 48:sc= 0.171 USER MOD Single : A 48 GLN : amide:sc= -2.33! C(o=-2.3!,f=-4.6!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.319 K(o=-0.32,f=-3.8!) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc= -0.0447 (180deg=-0.291) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -48:sc= 0.148 USER MOD Single : A 83 ASN : amide:sc= 1.71 K(o=1.7,f=-5.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.828 0.367 -6.384 1.00 5.75 N ATOM 2 CA GLY A 1 2.622 -0.195 -5.028 1.00 5.18 C ATOM 3 C GLY A 1 1.991 -1.571 -5.074 1.00 4.19 C ATOM 4 O GLY A 1 1.043 -1.852 -4.341 1.00 4.26 O ATOM 0 H1 GLY A 1 3.262 1.309 -6.307 1.00 5.75 H new ATOM 0 H2 GLY A 1 3.455 -0.260 -6.928 1.00 5.75 H new ATOM 0 H3 GLY A 1 1.912 0.446 -6.870 1.00 5.75 H new ATOM 0 HA2 GLY A 1 3.579 -0.252 -4.510 1.00 5.18 H new ATOM 0 HA3 GLY A 1 1.987 0.476 -4.450 1.00 5.18 H new ATOM 10 N SER A 2 2.514 -2.433 -5.932 1.00 3.74 N ATOM 11 CA SER A 2 1.959 -3.762 -6.109 1.00 3.26 C ATOM 12 C SER A 2 3.038 -4.727 -6.588 1.00 2.09 C ATOM 13 O SER A 2 3.749 -4.442 -7.552 1.00 2.28 O ATOM 14 CB SER A 2 0.803 -3.708 -7.113 1.00 4.10 C ATOM 15 OG SER A 2 0.185 -4.974 -7.269 1.00 4.66 O ATOM 0 H SER A 2 3.325 -2.233 -6.518 1.00 3.74 H new ATOM 0 HA SER A 2 1.580 -4.121 -5.152 1.00 3.26 H new ATOM 0 HB2 SER A 2 0.063 -2.981 -6.778 1.00 4.10 H new ATOM 0 HB3 SER A 2 1.175 -3.363 -8.078 1.00 4.10 H new ATOM 0 HG SER A 2 -0.549 -4.903 -7.915 1.00 4.66 H new ATOM 21 N GLY A 3 3.170 -5.854 -5.898 1.00 1.60 N ATOM 22 CA GLY A 3 4.141 -6.858 -6.291 1.00 1.30 C ATOM 23 C GLY A 3 5.504 -6.614 -5.676 1.00 1.09 C ATOM 24 O GLY A 3 6.527 -7.017 -6.228 1.00 1.32 O ATOM 0 H GLY A 3 2.621 -6.091 -5.072 1.00 1.60 H new ATOM 0 HA2 GLY A 3 3.782 -7.843 -5.993 1.00 1.30 H new ATOM 0 HA3 GLY A 3 4.232 -6.867 -7.377 1.00 1.30 H new ATOM 28 N TRP A 4 5.517 -5.962 -4.525 1.00 0.81 N ATOM 29 CA TRP A 4 6.761 -5.631 -3.849 1.00 0.60 C ATOM 30 C TRP A 4 7.345 -6.835 -3.133 1.00 0.62 C ATOM 31 O TRP A 4 6.649 -7.819 -2.870 1.00 0.74 O ATOM 32 CB TRP A 4 6.539 -4.501 -2.851 1.00 0.45 C ATOM 33 CG TRP A 4 6.611 -3.147 -3.470 1.00 0.38 C ATOM 34 CD1 TRP A 4 5.575 -2.297 -3.711 1.00 0.42 C ATOM 35 CD2 TRP A 4 7.791 -2.490 -3.936 1.00 0.36 C ATOM 36 NE1 TRP A 4 6.042 -1.140 -4.279 1.00 0.40 N ATOM 37 CE2 TRP A 4 7.399 -1.235 -4.432 1.00 0.37 C ATOM 38 CE3 TRP A 4 9.143 -2.837 -3.974 1.00 0.43 C ATOM 39 CZ2 TRP A 4 8.310 -0.326 -4.959 1.00 0.45 C ATOM 40 CZ3 TRP A 4 10.047 -1.934 -4.500 1.00 0.52 C ATOM 41 CH2 TRP A 4 9.626 -0.692 -4.985 1.00 0.52 C ATOM 0 H TRP A 4 4.677 -5.650 -4.038 1.00 0.81 H new ATOM 0 HA TRP A 4 7.471 -5.309 -4.611 1.00 0.60 H new ATOM 0 HB2 TRP A 4 5.564 -4.627 -2.381 1.00 0.45 H new ATOM 0 HB3 TRP A 4 7.286 -4.572 -2.060 1.00 0.45 H new ATOM 0 HD1 TRP A 4 4.539 -2.504 -3.488 1.00 0.42 H new ATOM 0 HE1 TRP A 4 5.471 -0.338 -4.545 1.00 0.40 H new ATOM 0 HE3 TRP A 4 9.476 -3.794 -3.599 1.00 0.43 H new ATOM 0 HZ2 TRP A 4 7.989 0.634 -5.334 1.00 0.45 H new ATOM 0 HZ3 TRP A 4 11.095 -2.192 -4.537 1.00 0.52 H new ATOM 0 HH2 TRP A 4 10.357 -0.007 -5.389 1.00 0.52 H new ATOM 52 N GLU A 5 8.628 -6.740 -2.817 1.00 0.66 N ATOM 53 CA GLU A 5 9.342 -7.817 -2.157 1.00 0.73 C ATOM 54 C GLU A 5 8.809 -8.021 -0.747 1.00 0.67 C ATOM 55 O GLU A 5 9.018 -7.192 0.140 1.00 0.78 O ATOM 56 CB GLU A 5 10.842 -7.518 -2.119 1.00 0.96 C ATOM 57 CG GLU A 5 11.481 -7.417 -3.496 1.00 1.49 C ATOM 58 CD GLU A 5 11.431 -8.722 -4.263 1.00 2.14 C ATOM 59 OE1 GLU A 5 12.337 -9.564 -4.079 1.00 2.65 O ATOM 60 OE2 GLU A 5 10.479 -8.915 -5.052 1.00 2.73 O ATOM 0 H GLU A 5 9.199 -5.917 -3.011 1.00 0.66 H new ATOM 0 HA GLU A 5 9.185 -8.734 -2.724 1.00 0.73 H new ATOM 0 HB2 GLU A 5 11.003 -6.582 -1.584 1.00 0.96 H new ATOM 0 HB3 GLU A 5 11.345 -8.301 -1.551 1.00 0.96 H new ATOM 0 HG2 GLU A 5 10.973 -6.643 -4.071 1.00 1.49 H new ATOM 0 HG3 GLU A 5 12.519 -7.104 -3.388 1.00 1.49 H new ATOM 67 N SER A 6 8.121 -9.133 -0.555 1.00 0.74 N ATOM 68 CA SER A 6 7.532 -9.472 0.729 1.00 0.87 C ATOM 69 C SER A 6 8.481 -10.359 1.534 1.00 0.88 C ATOM 70 O SER A 6 8.048 -11.178 2.343 1.00 0.90 O ATOM 71 CB SER A 6 6.186 -10.163 0.513 1.00 1.16 C ATOM 72 OG SER A 6 5.328 -9.348 -0.270 1.00 1.75 O ATOM 0 H SER A 6 7.955 -9.826 -1.285 1.00 0.74 H new ATOM 0 HA SER A 6 7.365 -8.558 1.299 1.00 0.87 H new ATOM 0 HB2 SER A 6 6.338 -11.122 0.017 1.00 1.16 H new ATOM 0 HB3 SER A 6 5.720 -10.372 1.476 1.00 1.16 H new ATOM 0 HG SER A 6 4.538 -9.864 -0.535 1.00 1.75 H new ATOM 78 N LYS A 7 9.776 -10.196 1.270 1.00 0.95 N ATOM 79 CA LYS A 7 10.843 -10.929 1.953 1.00 1.09 C ATOM 80 C LYS A 7 10.644 -10.974 3.472 1.00 1.03 C ATOM 81 O LYS A 7 10.763 -12.031 4.093 1.00 1.09 O ATOM 82 CB LYS A 7 12.185 -10.283 1.608 1.00 1.37 C ATOM 83 CG LYS A 7 13.355 -10.734 2.471 1.00 1.65 C ATOM 84 CD LYS A 7 13.554 -12.237 2.417 1.00 2.11 C ATOM 85 CE LYS A 7 13.933 -12.703 1.022 1.00 2.79 C ATOM 86 NZ LYS A 7 14.208 -14.163 0.978 1.00 3.24 N ATOM 0 H LYS A 7 10.119 -9.542 0.566 1.00 0.95 H new ATOM 0 HA LYS A 7 10.821 -11.963 1.608 1.00 1.09 H new ATOM 0 HB2 LYS A 7 12.418 -10.498 0.565 1.00 1.37 H new ATOM 0 HB3 LYS A 7 12.084 -9.201 1.695 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.265 -10.235 2.137 1.00 1.65 H new ATOM 0 HG3 LYS A 7 13.184 -10.428 3.503 1.00 1.65 H new ATOM 0 HD2 LYS A 7 14.333 -12.527 3.122 1.00 2.11 H new ATOM 0 HD3 LYS A 7 12.638 -12.737 2.732 1.00 2.11 H new ATOM 0 HE2 LYS A 7 13.126 -12.465 0.329 1.00 2.79 H new ATOM 0 HE3 LYS A 7 14.814 -12.158 0.685 1.00 2.79 H new ATOM 0 HZ1 LYS A 7 14.463 -14.439 0.008 1.00 3.24 H new ATOM 0 HZ2 LYS A 7 14.995 -14.388 1.620 1.00 3.24 H new ATOM 0 HZ3 LYS A 7 13.359 -14.685 1.275 1.00 3.24 H new ATOM 100 N THR A 8 10.336 -9.829 4.054 1.00 1.01 N ATOM 101 CA THR A 8 10.131 -9.720 5.494 1.00 1.08 C ATOM 102 C THR A 8 8.943 -10.554 5.972 1.00 0.93 C ATOM 103 O THR A 8 8.876 -10.951 7.134 1.00 1.03 O ATOM 104 CB THR A 8 9.905 -8.254 5.899 1.00 1.25 C ATOM 105 OG1 THR A 8 8.967 -7.646 4.998 1.00 2.05 O ATOM 106 CG2 THR A 8 11.210 -7.477 5.889 1.00 1.66 C ATOM 0 H THR A 8 10.221 -8.951 3.548 1.00 1.01 H new ATOM 0 HA THR A 8 11.034 -10.104 5.968 1.00 1.08 H new ATOM 0 HB THR A 8 9.506 -8.233 6.913 1.00 1.25 H new ATOM 0 HG1 THR A 8 8.822 -6.712 5.258 1.00 2.05 H new ATOM 0 HG21 THR A 8 11.020 -6.444 6.179 1.00 1.66 H new ATOM 0 HG22 THR A 8 11.908 -7.929 6.593 1.00 1.66 H new ATOM 0 HG23 THR A 8 11.639 -7.500 4.887 1.00 1.66 H new ATOM 114 N GLY A 9 8.015 -10.826 5.062 1.00 0.79 N ATOM 115 CA GLY A 9 6.805 -11.543 5.417 1.00 0.79 C ATOM 116 C GLY A 9 5.793 -10.637 6.084 1.00 0.69 C ATOM 117 O GLY A 9 4.733 -11.085 6.525 1.00 0.88 O ATOM 0 H GLY A 9 8.080 -10.561 4.079 1.00 0.79 H new ATOM 0 HA2 GLY A 9 6.366 -11.982 4.521 1.00 0.79 H new ATOM 0 HA3 GLY A 9 7.053 -12.367 6.086 1.00 0.79 H new ATOM 121 N SER A 10 6.121 -9.353 6.136 1.00 0.61 N ATOM 122 CA SER A 10 5.284 -8.365 6.798 1.00 0.73 C ATOM 123 C SER A 10 3.992 -8.109 6.021 1.00 0.64 C ATOM 124 O SER A 10 3.059 -7.508 6.547 1.00 0.73 O ATOM 125 CB SER A 10 6.062 -7.061 6.967 1.00 0.96 C ATOM 126 OG SER A 10 7.292 -7.281 7.641 1.00 1.72 O ATOM 0 H SER A 10 6.971 -8.970 5.722 1.00 0.61 H new ATOM 0 HA SER A 10 5.009 -8.757 7.777 1.00 0.73 H new ATOM 0 HB2 SER A 10 6.254 -6.620 5.989 1.00 0.96 H new ATOM 0 HB3 SER A 10 5.460 -6.345 7.527 1.00 0.96 H new ATOM 0 HG SER A 10 7.708 -6.419 7.852 1.00 1.72 H new ATOM 132 N CYS A 11 3.933 -8.562 4.776 1.00 0.52 N ATOM 133 CA CYS A 11 2.743 -8.355 3.968 1.00 0.44 C ATOM 134 C CYS A 11 2.320 -9.655 3.299 1.00 0.41 C ATOM 135 O CYS A 11 3.156 -10.445 2.864 1.00 0.43 O ATOM 136 CB CYS A 11 3.010 -7.281 2.914 1.00 0.41 C ATOM 137 SG CYS A 11 1.533 -6.770 1.981 1.00 1.19 S ATOM 0 H CYS A 11 4.686 -9.069 4.310 1.00 0.52 H new ATOM 0 HA CYS A 11 1.933 -8.022 4.617 1.00 0.44 H new ATOM 0 HB2 CYS A 11 3.438 -6.406 3.403 1.00 0.41 H new ATOM 0 HB3 CYS A 11 3.758 -7.653 2.214 1.00 0.41 H new ATOM 142 N ASN A 12 1.014 -9.866 3.242 1.00 0.46 N ATOM 143 CA ASN A 12 0.439 -11.079 2.674 1.00 0.53 C ATOM 144 C ASN A 12 0.061 -10.913 1.204 1.00 0.47 C ATOM 145 O ASN A 12 0.088 -11.874 0.437 1.00 0.57 O ATOM 146 CB ASN A 12 -0.777 -11.516 3.499 1.00 0.69 C ATOM 147 CG ASN A 12 -1.712 -10.369 3.849 1.00 0.90 C ATOM 148 OD1 ASN A 12 -1.862 -9.408 3.093 1.00 1.66 O ATOM 149 ND2 ASN A 12 -2.323 -10.446 5.016 1.00 1.03 N ATOM 0 H ASN A 12 0.321 -9.202 3.588 1.00 0.46 H new ATOM 0 HA ASN A 12 1.204 -11.855 2.715 1.00 0.53 H new ATOM 0 HB2 ASN A 12 -1.332 -12.271 2.942 1.00 0.69 H new ATOM 0 HB3 ASN A 12 -0.432 -11.988 4.419 1.00 0.69 H new ATOM 0 HD21 ASN A 12 -2.943 -9.694 5.318 1.00 1.03 H new ATOM 0 HD22 ASN A 12 -2.175 -11.257 5.616 1.00 1.03 H new ATOM 156 N THR A 13 -0.300 -9.698 0.815 1.00 0.38 N ATOM 157 CA THR A 13 -0.783 -9.443 -0.535 1.00 0.37 C ATOM 158 C THR A 13 0.351 -9.098 -1.489 1.00 0.35 C ATOM 159 O THR A 13 0.279 -9.376 -2.685 1.00 0.44 O ATOM 160 CB THR A 13 -1.809 -8.297 -0.540 1.00 0.41 C ATOM 161 OG1 THR A 13 -1.337 -7.226 0.290 1.00 0.43 O ATOM 162 CG2 THR A 13 -3.166 -8.776 -0.048 1.00 0.52 C ATOM 0 H THR A 13 -0.268 -8.874 1.415 1.00 0.38 H new ATOM 0 HA THR A 13 -1.256 -10.363 -0.878 1.00 0.37 H new ATOM 0 HB THR A 13 -1.926 -7.942 -1.564 1.00 0.41 H new ATOM 0 HG1 THR A 13 -1.822 -6.403 0.070 1.00 0.43 H new ATOM 0 HG21 THR A 13 -3.872 -7.946 -0.062 1.00 0.52 H new ATOM 0 HG22 THR A 13 -3.529 -9.572 -0.699 1.00 0.52 H new ATOM 0 HG23 THR A 13 -3.071 -9.155 0.970 1.00 0.52 H new ATOM 170 N GLY A 14 1.397 -8.490 -0.954 1.00 0.29 N ATOM 171 CA GLY A 14 2.498 -8.053 -1.784 1.00 0.31 C ATOM 172 C GLY A 14 2.297 -6.635 -2.273 1.00 0.30 C ATOM 173 O GLY A 14 3.104 -6.108 -3.038 1.00 0.43 O ATOM 0 H GLY A 14 1.503 -8.291 0.041 1.00 0.29 H new ATOM 0 HA2 GLY A 14 3.428 -8.115 -1.219 1.00 0.31 H new ATOM 0 HA3 GLY A 14 2.599 -8.722 -2.638 1.00 0.31 H new ATOM 177 N LYS A 15 1.216 -6.013 -1.829 1.00 0.24 N ATOM 178 CA LYS A 15 0.937 -4.634 -2.183 1.00 0.25 C ATOM 179 C LYS A 15 1.437 -3.704 -1.094 1.00 0.24 C ATOM 180 O LYS A 15 0.711 -3.362 -0.161 1.00 0.25 O ATOM 181 CB LYS A 15 -0.562 -4.432 -2.425 1.00 0.31 C ATOM 182 CG LYS A 15 -0.960 -4.586 -3.882 1.00 0.41 C ATOM 183 CD LYS A 15 -2.469 -4.586 -4.065 1.00 0.57 C ATOM 184 CE LYS A 15 -2.839 -4.327 -5.516 1.00 0.69 C ATOM 185 NZ LYS A 15 -4.225 -4.747 -5.836 1.00 1.64 N ATOM 0 H LYS A 15 0.518 -6.443 -1.222 1.00 0.24 H new ATOM 0 HA LYS A 15 1.463 -4.397 -3.108 1.00 0.25 H new ATOM 0 HB2 LYS A 15 -1.120 -5.151 -1.825 1.00 0.31 H new ATOM 0 HB3 LYS A 15 -0.848 -3.438 -2.080 1.00 0.31 H new ATOM 0 HG2 LYS A 15 -0.525 -3.774 -4.464 1.00 0.41 H new ATOM 0 HG3 LYS A 15 -0.548 -5.516 -4.274 1.00 0.41 H new ATOM 0 HD2 LYS A 15 -2.878 -5.545 -3.747 1.00 0.57 H new ATOM 0 HD3 LYS A 15 -2.916 -3.822 -3.429 1.00 0.57 H new ATOM 0 HE2 LYS A 15 -2.727 -3.264 -5.731 1.00 0.69 H new ATOM 0 HE3 LYS A 15 -2.143 -4.859 -6.165 1.00 0.69 H new ATOM 0 HZ1 LYS A 15 -4.420 -4.564 -6.841 1.00 1.64 H new ATOM 0 HZ2 LYS A 15 -4.334 -5.763 -5.642 1.00 1.64 H new ATOM 0 HZ3 LYS A 15 -4.895 -4.209 -5.250 1.00 1.64 H new ATOM 199 N LEU A 16 2.694 -3.317 -1.214 1.00 0.26 N ATOM 200 CA LEU A 16 3.307 -2.400 -0.284 1.00 0.30 C ATOM 201 C LEU A 16 3.269 -0.992 -0.851 1.00 0.33 C ATOM 202 O LEU A 16 3.508 -0.791 -2.042 1.00 0.55 O ATOM 203 CB LEU A 16 4.760 -2.804 -0.005 1.00 0.35 C ATOM 204 CG LEU A 16 4.955 -4.038 0.881 1.00 0.34 C ATOM 205 CD1 LEU A 16 4.412 -5.279 0.210 1.00 0.29 C ATOM 206 CD2 LEU A 16 6.426 -4.223 1.221 1.00 0.43 C ATOM 0 H LEU A 16 3.314 -3.632 -1.960 1.00 0.26 H new ATOM 0 HA LEU A 16 2.750 -2.432 0.652 1.00 0.30 H new ATOM 0 HB2 LEU A 16 5.256 -2.984 -0.959 1.00 0.35 H new ATOM 0 HB3 LEU A 16 5.267 -1.961 0.464 1.00 0.35 H new ATOM 0 HG LEU A 16 4.399 -3.880 1.805 1.00 0.34 H new ATOM 0 HD11 LEU A 16 4.563 -6.140 0.861 1.00 0.29 H new ATOM 0 HD12 LEU A 16 3.347 -5.152 0.018 1.00 0.29 H new ATOM 0 HD13 LEU A 16 4.934 -5.441 -0.733 1.00 0.29 H new ATOM 0 HD21 LEU A 16 6.546 -5.104 1.851 1.00 0.43 H new ATOM 0 HD22 LEU A 16 6.998 -4.353 0.302 1.00 0.43 H new ATOM 0 HD23 LEU A 16 6.790 -3.344 1.754 1.00 0.43 H new ATOM 218 N ALA A 17 2.957 -0.027 -0.011 1.00 0.27 N ATOM 219 CA ALA A 17 2.986 1.364 -0.422 1.00 0.27 C ATOM 220 C ALA A 17 3.536 2.237 0.689 1.00 0.24 C ATOM 221 O ALA A 17 3.338 1.958 1.874 1.00 0.28 O ATOM 222 CB ALA A 17 1.603 1.841 -0.833 1.00 0.29 C ATOM 0 H ALA A 17 2.681 -0.178 0.959 1.00 0.27 H new ATOM 0 HA ALA A 17 3.644 1.444 -1.287 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.654 2.887 -1.136 1.00 0.29 H new ATOM 0 HB2 ALA A 17 1.243 1.238 -1.667 1.00 0.29 H new ATOM 0 HB3 ALA A 17 0.918 1.740 0.009 1.00 0.29 H new ATOM 228 N CYS A 18 4.260 3.271 0.299 1.00 0.26 N ATOM 229 CA CYS A 18 4.734 4.269 1.237 1.00 0.26 C ATOM 230 C CYS A 18 3.610 5.258 1.493 1.00 0.24 C ATOM 231 O CYS A 18 3.325 6.116 0.657 1.00 0.32 O ATOM 232 CB CYS A 18 5.962 4.980 0.670 1.00 0.36 C ATOM 233 SG CYS A 18 7.241 3.845 0.046 1.00 0.74 S ATOM 0 H CYS A 18 4.533 3.441 -0.669 1.00 0.26 H new ATOM 0 HA CYS A 18 5.025 3.797 2.175 1.00 0.26 H new ATOM 0 HB2 CYS A 18 5.648 5.639 -0.139 1.00 0.36 H new ATOM 0 HB3 CYS A 18 6.396 5.611 1.446 1.00 0.36 H new ATOM 238 N CYS A 19 2.958 5.128 2.633 1.00 0.21 N ATOM 239 CA CYS A 19 1.739 5.872 2.879 1.00 0.21 C ATOM 240 C CYS A 19 1.852 6.730 4.124 1.00 0.23 C ATOM 241 O CYS A 19 2.664 6.461 5.012 1.00 0.30 O ATOM 242 CB CYS A 19 0.553 4.916 3.003 1.00 0.23 C ATOM 243 SG CYS A 19 0.343 3.804 1.576 1.00 0.50 S ATOM 0 H CYS A 19 3.250 4.519 3.397 1.00 0.21 H new ATOM 0 HA CYS A 19 1.577 6.536 2.030 1.00 0.21 H new ATOM 0 HB2 CYS A 19 0.677 4.315 3.904 1.00 0.23 H new ATOM 0 HB3 CYS A 19 -0.358 5.500 3.133 1.00 0.23 H new ATOM 248 N ASP A 20 1.037 7.770 4.173 1.00 0.23 N ATOM 249 CA ASP A 20 0.999 8.666 5.312 1.00 0.28 C ATOM 250 C ASP A 20 -0.217 8.353 6.154 1.00 0.28 C ATOM 251 O ASP A 20 -1.344 8.475 5.690 1.00 0.34 O ATOM 252 CB ASP A 20 0.957 10.123 4.851 1.00 0.37 C ATOM 253 CG ASP A 20 2.282 10.600 4.286 1.00 1.01 C ATOM 254 OD1 ASP A 20 2.319 11.014 3.107 1.00 1.65 O ATOM 255 OD2 ASP A 20 3.292 10.565 5.022 1.00 1.33 O ATOM 0 H ASP A 20 0.386 8.015 3.427 1.00 0.23 H new ATOM 0 HA ASP A 20 1.902 8.523 5.906 1.00 0.28 H new ATOM 0 HB2 ASP A 20 0.182 10.237 4.093 1.00 0.37 H new ATOM 0 HB3 ASP A 20 0.676 10.757 5.692 1.00 0.37 H new ATOM 260 N THR A 21 0.012 7.953 7.389 1.00 0.31 N ATOM 261 CA THR A 21 -1.067 7.505 8.254 1.00 0.36 C ATOM 262 C THR A 21 -1.805 8.686 8.880 1.00 0.42 C ATOM 263 O THR A 21 -2.814 8.512 9.565 1.00 0.52 O ATOM 264 CB THR A 21 -0.536 6.574 9.359 1.00 0.41 C ATOM 265 OG1 THR A 21 0.502 7.235 10.098 1.00 0.41 O ATOM 266 CG2 THR A 21 0.008 5.283 8.762 1.00 0.43 C ATOM 0 H THR A 21 0.937 7.928 7.819 1.00 0.31 H new ATOM 0 HA THR A 21 -1.770 6.950 7.634 1.00 0.36 H new ATOM 0 HB THR A 21 -1.362 6.330 10.027 1.00 0.41 H new ATOM 0 HG1 THR A 21 0.834 6.638 10.801 1.00 0.41 H new ATOM 0 HG21 THR A 21 0.378 4.640 9.561 1.00 0.43 H new ATOM 0 HG22 THR A 21 -0.787 4.769 8.221 1.00 0.43 H new ATOM 0 HG23 THR A 21 0.823 5.514 8.076 1.00 0.43 H new ATOM 274 N ASN A 22 -1.302 9.888 8.638 1.00 0.43 N ATOM 275 CA ASN A 22 -1.929 11.097 9.145 1.00 0.56 C ATOM 276 C ASN A 22 -2.796 11.710 8.065 1.00 0.50 C ATOM 277 O ASN A 22 -3.691 12.510 8.332 1.00 0.63 O ATOM 278 CB ASN A 22 -0.870 12.105 9.596 1.00 0.70 C ATOM 279 CG ASN A 22 -0.050 12.674 8.449 1.00 1.35 C ATOM 280 OD1 ASN A 22 0.231 11.991 7.463 1.00 1.87 O ATOM 281 ND2 ASN A 22 0.332 13.937 8.566 1.00 2.20 N ATOM 0 H ASN A 22 -0.457 10.051 8.091 1.00 0.43 H new ATOM 0 HA ASN A 22 -2.547 10.837 10.005 1.00 0.56 H new ATOM 0 HB2 ASN A 22 -1.360 12.923 10.124 1.00 0.70 H new ATOM 0 HB3 ASN A 22 -0.200 11.623 10.308 1.00 0.70 H new ATOM 0 HD21 ASN A 22 0.878 14.375 7.824 1.00 2.20 H new ATOM 0 HD22 ASN A 22 0.080 14.471 9.398 1.00 2.20 H new ATOM 288 N LYS A 23 -2.508 11.320 6.842 1.00 0.40 N ATOM 289 CA LYS A 23 -3.247 11.779 5.687 1.00 0.39 C ATOM 290 C LYS A 23 -4.179 10.699 5.188 1.00 0.32 C ATOM 291 O LYS A 23 -3.821 9.528 5.101 1.00 0.39 O ATOM 292 CB LYS A 23 -2.292 12.203 4.581 1.00 0.47 C ATOM 293 CG LYS A 23 -1.793 13.633 4.713 1.00 0.95 C ATOM 294 CD LYS A 23 -0.995 14.048 3.494 1.00 1.53 C ATOM 295 CE LYS A 23 0.229 13.176 3.374 1.00 1.84 C ATOM 296 NZ LYS A 23 0.905 13.294 2.057 1.00 2.60 N ATOM 0 H LYS A 23 -1.751 10.673 6.621 1.00 0.40 H new ATOM 0 HA LYS A 23 -3.845 12.641 5.983 1.00 0.39 H new ATOM 0 HB2 LYS A 23 -1.436 11.529 4.576 1.00 0.47 H new ATOM 0 HB3 LYS A 23 -2.792 12.090 3.619 1.00 0.47 H new ATOM 0 HG2 LYS A 23 -2.640 14.306 4.843 1.00 0.95 H new ATOM 0 HG3 LYS A 23 -1.173 13.724 5.605 1.00 0.95 H new ATOM 0 HD2 LYS A 23 -1.608 13.958 2.597 1.00 1.53 H new ATOM 0 HD3 LYS A 23 -0.702 15.095 3.577 1.00 1.53 H new ATOM 0 HE2 LYS A 23 0.934 13.440 4.162 1.00 1.84 H new ATOM 0 HE3 LYS A 23 -0.056 12.137 3.537 1.00 1.84 H new ATOM 0 HZ1 LYS A 23 1.619 12.544 1.965 1.00 2.60 H new ATOM 0 HZ2 LYS A 23 0.202 13.198 1.296 1.00 2.60 H new ATOM 0 HZ3 LYS A 23 1.367 14.223 1.986 1.00 2.60 H new ATOM 310 N LYS A 24 -5.368 11.118 4.842 1.00 0.49 N ATOM 311 CA LYS A 24 -6.433 10.201 4.495 1.00 0.49 C ATOM 312 C LYS A 24 -7.026 10.565 3.144 1.00 0.45 C ATOM 313 O LYS A 24 -6.952 11.717 2.715 1.00 0.48 O ATOM 314 CB LYS A 24 -7.528 10.246 5.561 1.00 0.61 C ATOM 315 CG LYS A 24 -7.038 10.038 6.985 1.00 0.91 C ATOM 316 CD LYS A 24 -6.360 8.692 7.156 1.00 1.32 C ATOM 317 CE LYS A 24 -6.047 8.397 8.615 1.00 1.88 C ATOM 318 NZ LYS A 24 -7.279 8.192 9.424 1.00 2.17 N ATOM 0 H LYS A 24 -5.630 12.103 4.791 1.00 0.49 H new ATOM 0 HA LYS A 24 -6.019 9.194 4.442 1.00 0.49 H new ATOM 0 HB2 LYS A 24 -8.034 11.210 5.502 1.00 0.61 H new ATOM 0 HB3 LYS A 24 -8.271 9.482 5.332 1.00 0.61 H new ATOM 0 HG2 LYS A 24 -6.340 10.833 7.249 1.00 0.91 H new ATOM 0 HG3 LYS A 24 -7.880 10.111 7.674 1.00 0.91 H new ATOM 0 HD2 LYS A 24 -7.003 7.908 6.757 1.00 1.32 H new ATOM 0 HD3 LYS A 24 -5.438 8.674 6.576 1.00 1.32 H new ATOM 0 HE2 LYS A 24 -5.421 7.507 8.678 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -5.471 9.222 9.035 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -7.027 7.766 10.339 1.00 2.17 H new ATOM 0 HZ2 LYS A 24 -7.745 9.108 9.585 1.00 2.17 H new ATOM 0 HZ3 LYS A 24 -7.927 7.558 8.914 1.00 2.17 H new ATOM 332 N VAL A 25 -7.611 9.584 2.479 1.00 0.46 N ATOM 333 CA VAL A 25 -8.256 9.811 1.193 1.00 0.50 C ATOM 334 C VAL A 25 -9.764 9.647 1.349 1.00 0.56 C ATOM 335 O VAL A 25 -10.228 8.812 2.125 1.00 0.57 O ATOM 336 CB VAL A 25 -7.748 8.833 0.115 1.00 0.47 C ATOM 337 CG1 VAL A 25 -8.171 9.300 -1.268 1.00 0.59 C ATOM 338 CG2 VAL A 25 -6.235 8.654 0.192 1.00 0.44 C ATOM 0 H VAL A 25 -7.654 8.619 2.808 1.00 0.46 H new ATOM 0 HA VAL A 25 -8.012 10.823 0.871 1.00 0.50 H new ATOM 0 HB VAL A 25 -8.201 7.860 0.304 1.00 0.47 H new ATOM 0 HG11 VAL A 25 -7.804 8.598 -2.017 1.00 0.59 H new ATOM 0 HG12 VAL A 25 -9.259 9.349 -1.319 1.00 0.59 H new ATOM 0 HG13 VAL A 25 -7.754 10.288 -1.462 1.00 0.59 H new ATOM 0 HG21 VAL A 25 -5.911 7.958 -0.582 1.00 0.44 H new ATOM 0 HG22 VAL A 25 -5.747 9.617 0.042 1.00 0.44 H new ATOM 0 HG23 VAL A 25 -5.965 8.259 1.171 1.00 0.44 H new ATOM 348 N GLN A 26 -10.522 10.442 0.603 1.00 0.66 N ATOM 349 CA GLN A 26 -11.963 10.512 0.774 1.00 0.78 C ATOM 350 C GLN A 26 -12.668 9.407 0.000 1.00 0.75 C ATOM 351 O GLN A 26 -13.625 8.806 0.490 1.00 0.87 O ATOM 352 CB GLN A 26 -12.474 11.875 0.310 1.00 0.97 C ATOM 353 CG GLN A 26 -11.749 13.052 0.945 1.00 1.71 C ATOM 354 CD GLN A 26 -11.778 13.014 2.460 1.00 2.23 C ATOM 355 OE1 GLN A 26 -12.716 12.497 3.065 1.00 2.62 O ATOM 356 NE2 GLN A 26 -10.750 13.564 3.081 1.00 2.83 N ATOM 0 H GLN A 26 -10.157 11.050 -0.130 1.00 0.66 H new ATOM 0 HA GLN A 26 -12.184 10.378 1.833 1.00 0.78 H new ATOM 0 HB2 GLN A 26 -12.374 11.940 -0.773 1.00 0.97 H new ATOM 0 HB3 GLN A 26 -13.537 11.950 0.537 1.00 0.97 H new ATOM 0 HG2 GLN A 26 -10.713 13.060 0.606 1.00 1.71 H new ATOM 0 HG3 GLN A 26 -12.204 13.981 0.601 1.00 1.71 H new ATOM 0 HE21 GLN A 26 -9.992 13.982 2.541 1.00 2.83 H new ATOM 0 HE22 GLN A 26 -10.714 13.570 4.100 1.00 2.83 H new ATOM 365 N LYS A 27 -12.199 9.141 -1.208 1.00 0.96 N ATOM 366 CA LYS A 27 -12.775 8.090 -2.031 1.00 1.06 C ATOM 367 C LYS A 27 -11.985 6.801 -1.870 1.00 0.94 C ATOM 368 O LYS A 27 -10.766 6.785 -2.042 1.00 1.56 O ATOM 369 CB LYS A 27 -12.814 8.512 -3.492 1.00 1.81 C ATOM 370 CG LYS A 27 -13.694 9.723 -3.735 1.00 2.36 C ATOM 371 CD LYS A 27 -14.064 9.842 -5.197 1.00 2.79 C ATOM 372 CE LYS A 27 -12.840 10.064 -6.070 1.00 3.33 C ATOM 373 NZ LYS A 27 -13.195 10.218 -7.505 1.00 4.07 N ATOM 0 H LYS A 27 -11.421 9.638 -1.641 1.00 0.96 H new ATOM 0 HA LYS A 27 -13.798 7.915 -1.699 1.00 1.06 H new ATOM 0 HB2 LYS A 27 -11.801 8.733 -3.828 1.00 1.81 H new ATOM 0 HB3 LYS A 27 -13.176 7.680 -4.096 1.00 1.81 H new ATOM 0 HG2 LYS A 27 -14.599 9.646 -3.133 1.00 2.36 H new ATOM 0 HG3 LYS A 27 -13.173 10.625 -3.414 1.00 2.36 H new ATOM 0 HD2 LYS A 27 -14.580 8.937 -5.517 1.00 2.79 H new ATOM 0 HD3 LYS A 27 -14.761 10.670 -5.330 1.00 2.79 H new ATOM 0 HE2 LYS A 27 -12.310 10.954 -5.731 1.00 3.33 H new ATOM 0 HE3 LYS A 27 -12.156 9.223 -5.955 1.00 3.33 H new ATOM 0 HZ1 LYS A 27 -12.330 10.367 -8.063 1.00 4.07 H new ATOM 0 HZ2 LYS A 27 -13.677 9.359 -7.837 1.00 4.07 H new ATOM 0 HZ3 LYS A 27 -13.827 11.036 -7.620 1.00 4.07 H new ATOM 387 N SER A 28 -12.681 5.728 -1.533 1.00 0.83 N ATOM 388 CA SER A 28 -12.037 4.451 -1.285 1.00 1.35 C ATOM 389 C SER A 28 -12.883 3.307 -1.826 1.00 1.17 C ATOM 390 O SER A 28 -13.998 3.075 -1.356 1.00 1.46 O ATOM 391 CB SER A 28 -11.812 4.269 0.217 1.00 2.09 C ATOM 392 OG SER A 28 -13.031 4.395 0.936 1.00 2.46 O ATOM 0 H SER A 28 -13.695 5.717 -1.425 1.00 0.83 H new ATOM 0 HA SER A 28 -11.076 4.441 -1.799 1.00 1.35 H new ATOM 0 HB2 SER A 28 -11.374 3.289 0.406 1.00 2.09 H new ATOM 0 HB3 SER A 28 -11.098 5.011 0.573 1.00 2.09 H new ATOM 0 HG SER A 28 -13.761 4.000 0.414 1.00 2.46 H new ATOM 398 N THR A 29 -12.375 2.622 -2.832 1.00 1.02 N ATOM 399 CA THR A 29 -13.041 1.440 -3.350 1.00 1.07 C ATOM 400 C THR A 29 -12.019 0.364 -3.691 1.00 1.17 C ATOM 401 O THR A 29 -12.148 -0.790 -3.283 1.00 2.00 O ATOM 402 CB THR A 29 -13.889 1.783 -4.591 1.00 1.24 C ATOM 403 OG1 THR A 29 -14.748 2.891 -4.290 1.00 1.64 O ATOM 404 CG2 THR A 29 -14.730 0.592 -5.030 1.00 1.64 C ATOM 0 H THR A 29 -11.505 2.862 -3.307 1.00 1.02 H new ATOM 0 HA THR A 29 -13.708 1.060 -2.576 1.00 1.07 H new ATOM 0 HB THR A 29 -13.214 2.043 -5.406 1.00 1.24 H new ATOM 0 HG1 THR A 29 -15.287 3.111 -5.079 1.00 1.64 H new ATOM 0 HG21 THR A 29 -15.317 0.865 -5.907 1.00 1.64 H new ATOM 0 HG22 THR A 29 -14.076 -0.244 -5.277 1.00 1.64 H new ATOM 0 HG23 THR A 29 -15.400 0.302 -4.221 1.00 1.64 H new ATOM 412 N GLY A 30 -10.990 0.769 -4.412 1.00 0.96 N ATOM 413 CA GLY A 30 -9.945 -0.146 -4.810 1.00 1.02 C ATOM 414 C GLY A 30 -10.145 -0.651 -6.220 1.00 1.05 C ATOM 415 O GLY A 30 -11.185 -0.404 -6.830 1.00 1.39 O ATOM 0 H GLY A 30 -10.858 1.728 -4.733 1.00 0.96 H new ATOM 0 HA2 GLY A 30 -8.979 0.353 -4.737 1.00 1.02 H new ATOM 0 HA3 GLY A 30 -9.921 -0.991 -4.122 1.00 1.02 H new ATOM 419 N GLU A 31 -9.155 -1.351 -6.748 1.00 1.00 N ATOM 420 CA GLU A 31 -9.263 -1.926 -8.077 1.00 1.18 C ATOM 421 C GLU A 31 -9.590 -3.408 -7.970 1.00 0.94 C ATOM 422 O GLU A 31 -10.554 -3.889 -8.565 1.00 1.04 O ATOM 423 CB GLU A 31 -7.965 -1.727 -8.860 1.00 1.63 C ATOM 424 CG GLU A 31 -7.476 -0.290 -8.858 1.00 2.14 C ATOM 425 CD GLU A 31 -6.380 -0.041 -9.869 1.00 2.60 C ATOM 426 OE1 GLU A 31 -5.292 -0.641 -9.726 1.00 2.90 O ATOM 427 OE2 GLU A 31 -6.590 0.763 -10.801 1.00 3.06 O ATOM 0 H GLU A 31 -8.269 -1.534 -6.277 1.00 1.00 H new ATOM 0 HA GLU A 31 -10.065 -1.419 -8.613 1.00 1.18 H new ATOM 0 HB2 GLU A 31 -7.191 -2.367 -8.436 1.00 1.63 H new ATOM 0 HB3 GLU A 31 -8.117 -2.050 -9.890 1.00 1.63 H new ATOM 0 HG2 GLU A 31 -8.314 0.374 -9.067 1.00 2.14 H new ATOM 0 HG3 GLU A 31 -7.110 -0.037 -7.863 1.00 2.14 H new ATOM 434 N GLU A 32 -8.804 -4.116 -7.169 1.00 0.85 N ATOM 435 CA GLU A 32 -8.995 -5.542 -6.975 1.00 1.01 C ATOM 436 C GLU A 32 -10.049 -5.784 -5.908 1.00 1.08 C ATOM 437 O GLU A 32 -10.945 -6.613 -6.075 1.00 1.36 O ATOM 438 CB GLU A 32 -7.679 -6.214 -6.586 1.00 1.26 C ATOM 439 CG GLU A 32 -6.577 -6.035 -7.617 1.00 1.66 C ATOM 440 CD GLU A 32 -6.916 -6.656 -8.955 1.00 1.90 C ATOM 441 OE1 GLU A 32 -6.550 -7.828 -9.186 1.00 2.09 O ATOM 442 OE2 GLU A 32 -7.572 -5.985 -9.779 1.00 2.44 O ATOM 0 H GLU A 32 -8.025 -3.721 -6.642 1.00 0.85 H new ATOM 0 HA GLU A 32 -9.336 -5.979 -7.914 1.00 1.01 H new ATOM 0 HB2 GLU A 32 -7.342 -5.809 -5.632 1.00 1.26 H new ATOM 0 HB3 GLU A 32 -7.855 -7.279 -6.436 1.00 1.26 H new ATOM 0 HG2 GLU A 32 -6.384 -4.971 -7.754 1.00 1.66 H new ATOM 0 HG3 GLU A 32 -5.657 -6.480 -7.239 1.00 1.66 H new ATOM 449 N SER A 33 -9.951 -5.041 -4.817 1.00 1.06 N ATOM 450 CA SER A 33 -10.943 -5.126 -3.762 1.00 1.37 C ATOM 451 C SER A 33 -12.213 -4.404 -4.194 1.00 1.43 C ATOM 452 O SER A 33 -13.309 -4.722 -3.733 1.00 1.79 O ATOM 453 CB SER A 33 -10.406 -4.528 -2.458 1.00 1.72 C ATOM 454 OG SER A 33 -10.111 -3.148 -2.604 1.00 2.36 O ATOM 0 H SER A 33 -9.198 -4.376 -4.641 1.00 1.06 H new ATOM 0 HA SER A 33 -11.171 -6.176 -3.580 1.00 1.37 H new ATOM 0 HB2 SER A 33 -11.141 -4.662 -1.665 1.00 1.72 H new ATOM 0 HB3 SER A 33 -9.507 -5.064 -2.154 1.00 1.72 H new ATOM 0 HG SER A 33 -9.655 -3.000 -3.459 1.00 2.36 H new ATOM 460 N GLY A 34 -12.048 -3.451 -5.107 1.00 1.39 N ATOM 461 CA GLY A 34 -13.162 -2.653 -5.579 1.00 1.87 C ATOM 462 C GLY A 34 -14.139 -3.443 -6.422 1.00 2.00 C ATOM 463 O GLY A 34 -15.342 -3.186 -6.390 1.00 2.54 O ATOM 0 H GLY A 34 -11.151 -3.217 -5.532 1.00 1.39 H new ATOM 0 HA2 GLY A 34 -13.688 -2.231 -4.723 1.00 1.87 H new ATOM 0 HA3 GLY A 34 -12.780 -1.816 -6.163 1.00 1.87 H new ATOM 467 N LEU A 35 -13.625 -4.401 -7.183 1.00 1.81 N ATOM 468 CA LEU A 35 -14.464 -5.253 -7.999 1.00 2.31 C ATOM 469 C LEU A 35 -15.190 -6.266 -7.117 1.00 2.77 C ATOM 470 O LEU A 35 -16.258 -6.771 -7.463 1.00 3.49 O ATOM 471 CB LEU A 35 -13.608 -5.968 -9.045 1.00 2.32 C ATOM 472 CG LEU A 35 -14.374 -6.910 -9.965 1.00 2.47 C ATOM 473 CD1 LEU A 35 -15.314 -6.129 -10.870 1.00 2.79 C ATOM 474 CD2 LEU A 35 -13.418 -7.763 -10.782 1.00 2.93 C ATOM 0 H LEU A 35 -12.627 -4.604 -7.248 1.00 1.81 H new ATOM 0 HA LEU A 35 -15.209 -4.644 -8.512 1.00 2.31 H new ATOM 0 HB2 LEU A 35 -13.104 -5.218 -9.655 1.00 2.32 H new ATOM 0 HB3 LEU A 35 -12.832 -6.536 -8.532 1.00 2.32 H new ATOM 0 HG LEU A 35 -14.975 -7.577 -9.347 1.00 2.47 H new ATOM 0 HD11 LEU A 35 -15.852 -6.820 -11.519 1.00 2.79 H new ATOM 0 HD12 LEU A 35 -16.027 -5.574 -10.261 1.00 2.79 H new ATOM 0 HD13 LEU A 35 -14.738 -5.433 -11.479 1.00 2.79 H new ATOM 0 HD21 LEU A 35 -13.988 -8.428 -11.431 1.00 2.93 H new ATOM 0 HD22 LEU A 35 -12.784 -7.118 -11.390 1.00 2.93 H new ATOM 0 HD23 LEU A 35 -12.796 -8.356 -10.112 1.00 2.93 H new ATOM 486 N LEU A 36 -14.604 -6.539 -5.964 1.00 2.50 N ATOM 487 CA LEU A 36 -15.172 -7.478 -5.016 1.00 3.01 C ATOM 488 C LEU A 36 -16.075 -6.736 -4.029 1.00 2.81 C ATOM 489 O LEU A 36 -16.076 -5.505 -3.982 1.00 2.34 O ATOM 490 CB LEU A 36 -14.046 -8.210 -4.277 1.00 3.19 C ATOM 491 CG LEU A 36 -14.471 -9.433 -3.463 1.00 4.01 C ATOM 492 CD1 LEU A 36 -15.019 -10.520 -4.375 1.00 4.60 C ATOM 493 CD2 LEU A 36 -13.300 -9.957 -2.654 1.00 4.79 C ATOM 0 H LEU A 36 -13.726 -6.118 -5.661 1.00 2.50 H new ATOM 0 HA LEU A 36 -15.774 -8.214 -5.548 1.00 3.01 H new ATOM 0 HB2 LEU A 36 -13.301 -8.524 -5.008 1.00 3.19 H new ATOM 0 HB3 LEU A 36 -13.557 -7.503 -3.607 1.00 3.19 H new ATOM 0 HG LEU A 36 -15.263 -9.134 -2.776 1.00 4.01 H new ATOM 0 HD11 LEU A 36 -15.316 -11.381 -3.777 1.00 4.60 H new ATOM 0 HD12 LEU A 36 -15.885 -10.139 -4.916 1.00 4.60 H new ATOM 0 HD13 LEU A 36 -14.250 -10.820 -5.086 1.00 4.60 H new ATOM 0 HD21 LEU A 36 -13.616 -10.828 -2.079 1.00 4.79 H new ATOM 0 HD22 LEU A 36 -12.491 -10.240 -3.327 1.00 4.79 H new ATOM 0 HD23 LEU A 36 -12.951 -9.180 -1.974 1.00 4.79 H new ATOM 505 N HIS A 37 -16.843 -7.485 -3.244 1.00 3.51 N ATOM 506 CA HIS A 37 -17.721 -6.898 -2.227 1.00 3.61 C ATOM 507 C HIS A 37 -16.924 -6.134 -1.168 1.00 3.25 C ATOM 508 O HIS A 37 -17.480 -5.345 -0.410 1.00 2.95 O ATOM 509 CB HIS A 37 -18.584 -7.983 -1.562 1.00 4.74 C ATOM 510 CG HIS A 37 -17.800 -9.120 -0.975 1.00 5.33 C ATOM 511 ND1 HIS A 37 -17.636 -10.330 -1.613 1.00 5.88 N ATOM 512 CD2 HIS A 37 -17.123 -9.220 0.192 1.00 5.85 C ATOM 513 CE1 HIS A 37 -16.894 -11.123 -0.862 1.00 6.59 C ATOM 514 NE2 HIS A 37 -16.570 -10.474 0.237 1.00 6.59 N ATOM 0 H HIS A 37 -16.878 -8.503 -3.290 1.00 3.51 H new ATOM 0 HA HIS A 37 -18.375 -6.187 -2.732 1.00 3.61 H new ATOM 0 HB2 HIS A 37 -19.181 -7.524 -0.774 1.00 4.74 H new ATOM 0 HB3 HIS A 37 -19.281 -8.380 -2.300 1.00 4.74 H new ATOM 0 HD2 HIS A 37 -17.034 -8.454 0.948 1.00 5.85 H new ATOM 0 HE1 HIS A 37 -16.602 -12.133 -1.108 1.00 6.59 H new ATOM 0 HE2 HIS A 37 -16.000 -10.844 0.998 1.00 6.59 H new ATOM 523 N THR A 38 -15.616 -6.362 -1.135 1.00 3.58 N ATOM 524 CA THR A 38 -14.740 -5.688 -0.188 1.00 3.68 C ATOM 525 C THR A 38 -14.677 -4.185 -0.453 1.00 3.15 C ATOM 526 O THR A 38 -14.327 -3.408 0.427 1.00 3.20 O ATOM 527 CB THR A 38 -13.325 -6.284 -0.252 1.00 4.74 C ATOM 528 OG1 THR A 38 -12.981 -6.547 -1.620 1.00 5.22 O ATOM 529 CG2 THR A 38 -13.237 -7.567 0.557 1.00 5.42 C ATOM 0 H THR A 38 -15.138 -7.013 -1.758 1.00 3.58 H new ATOM 0 HA THR A 38 -15.155 -5.841 0.808 1.00 3.68 H new ATOM 0 HB THR A 38 -12.625 -5.565 0.174 1.00 4.74 H new ATOM 0 HG1 THR A 38 -13.189 -5.761 -2.167 1.00 5.22 H new ATOM 0 HG21 THR A 38 -12.225 -7.968 0.495 1.00 5.42 H new ATOM 0 HG22 THR A 38 -13.481 -7.358 1.599 1.00 5.42 H new ATOM 0 HG23 THR A 38 -13.942 -8.297 0.159 1.00 5.42 H new ATOM 537 N GLY A 39 -15.028 -3.783 -1.668 1.00 2.92 N ATOM 538 CA GLY A 39 -15.003 -2.378 -2.021 1.00 3.07 C ATOM 539 C GLY A 39 -16.344 -1.709 -1.813 1.00 2.65 C ATOM 540 O GLY A 39 -16.553 -0.574 -2.239 1.00 3.27 O ATOM 0 H GLY A 39 -15.330 -4.407 -2.416 1.00 2.92 H new ATOM 0 HA2 GLY A 39 -14.249 -1.869 -1.421 1.00 3.07 H new ATOM 0 HA3 GLY A 39 -14.705 -2.273 -3.064 1.00 3.07 H new ATOM 544 N ASP A 40 -17.264 -2.417 -1.170 1.00 2.12 N ATOM 545 CA ASP A 40 -18.583 -1.870 -0.877 1.00 2.43 C ATOM 546 C ASP A 40 -18.612 -1.257 0.512 1.00 2.44 C ATOM 547 O ASP A 40 -19.504 -0.472 0.842 1.00 3.10 O ATOM 548 CB ASP A 40 -19.658 -2.950 -0.991 1.00 2.68 C ATOM 549 CG ASP A 40 -20.490 -2.808 -2.247 1.00 3.59 C ATOM 550 OD1 ASP A 40 -21.533 -2.118 -2.203 1.00 4.07 O ATOM 551 OD2 ASP A 40 -20.101 -3.382 -3.289 1.00 4.15 O ATOM 0 H ASP A 40 -17.121 -3.372 -0.841 1.00 2.12 H new ATOM 0 HA ASP A 40 -18.792 -1.091 -1.611 1.00 2.43 H new ATOM 0 HB2 ASP A 40 -19.185 -3.932 -0.981 1.00 2.68 H new ATOM 0 HB3 ASP A 40 -20.311 -2.902 -0.119 1.00 2.68 H new ATOM 556 N VAL A 41 -17.628 -1.612 1.322 1.00 1.88 N ATOM 557 CA VAL A 41 -17.541 -1.099 2.677 1.00 1.83 C ATOM 558 C VAL A 41 -16.667 0.138 2.738 1.00 1.57 C ATOM 559 O VAL A 41 -15.605 0.195 2.127 1.00 1.47 O ATOM 560 CB VAL A 41 -16.990 -2.146 3.672 1.00 1.92 C ATOM 561 CG1 VAL A 41 -18.078 -3.127 4.071 1.00 2.58 C ATOM 562 CG2 VAL A 41 -15.802 -2.889 3.085 1.00 1.85 C ATOM 0 H VAL A 41 -16.879 -2.254 1.063 1.00 1.88 H new ATOM 0 HA VAL A 41 -18.561 -0.848 2.969 1.00 1.83 H new ATOM 0 HB VAL A 41 -16.652 -1.615 4.562 1.00 1.92 H new ATOM 0 HG11 VAL A 41 -17.671 -3.856 4.772 1.00 2.58 H new ATOM 0 HG12 VAL A 41 -18.899 -2.588 4.544 1.00 2.58 H new ATOM 0 HG13 VAL A 41 -18.446 -3.642 3.184 1.00 2.58 H new ATOM 0 HG21 VAL A 41 -15.436 -3.619 3.807 1.00 1.85 H new ATOM 0 HG22 VAL A 41 -16.108 -3.403 2.174 1.00 1.85 H new ATOM 0 HG23 VAL A 41 -15.008 -2.179 2.852 1.00 1.85 H new ATOM 572 N LEU A 42 -17.121 1.131 3.485 1.00 1.77 N ATOM 573 CA LEU A 42 -16.328 2.309 3.753 1.00 1.81 C ATOM 574 C LEU A 42 -15.405 2.026 4.925 1.00 1.47 C ATOM 575 O LEU A 42 -14.640 2.885 5.363 1.00 1.56 O ATOM 576 CB LEU A 42 -17.230 3.502 4.058 1.00 2.42 C ATOM 577 CG LEU A 42 -17.850 4.207 2.844 1.00 2.97 C ATOM 578 CD1 LEU A 42 -16.773 4.663 1.868 1.00 3.50 C ATOM 579 CD2 LEU A 42 -18.864 3.309 2.149 1.00 3.37 C ATOM 0 H LEU A 42 -18.044 1.139 3.918 1.00 1.77 H new ATOM 0 HA LEU A 42 -15.733 2.555 2.873 1.00 1.81 H new ATOM 0 HB2 LEU A 42 -18.037 3.165 4.708 1.00 2.42 H new ATOM 0 HB3 LEU A 42 -16.652 4.234 4.622 1.00 2.42 H new ATOM 0 HG LEU A 42 -18.375 5.091 3.205 1.00 2.97 H new ATOM 0 HD11 LEU A 42 -17.240 5.159 1.017 1.00 3.50 H new ATOM 0 HD12 LEU A 42 -16.099 5.358 2.369 1.00 3.50 H new ATOM 0 HD13 LEU A 42 -16.209 3.798 1.519 1.00 3.50 H new ATOM 0 HD21 LEU A 42 -19.288 3.833 1.293 1.00 3.37 H new ATOM 0 HD22 LEU A 42 -18.371 2.398 1.809 1.00 3.37 H new ATOM 0 HD23 LEU A 42 -19.661 3.051 2.847 1.00 3.37 H new ATOM 591 N ASP A 43 -15.506 0.800 5.426 1.00 1.24 N ATOM 592 CA ASP A 43 -14.651 0.314 6.497 1.00 1.03 C ATOM 593 C ASP A 43 -13.201 0.283 6.042 1.00 0.78 C ATOM 594 O ASP A 43 -12.285 0.415 6.857 1.00 0.77 O ATOM 595 CB ASP A 43 -15.095 -1.085 6.931 1.00 1.22 C ATOM 596 CG ASP A 43 -14.314 -1.601 8.122 1.00 1.63 C ATOM 597 OD1 ASP A 43 -14.771 -1.414 9.269 1.00 2.29 O ATOM 598 OD2 ASP A 43 -13.233 -2.189 7.915 1.00 2.03 O ATOM 0 H ASP A 43 -16.186 0.115 5.098 1.00 1.24 H new ATOM 0 HA ASP A 43 -14.737 0.992 7.346 1.00 1.03 H new ATOM 0 HB2 ASP A 43 -16.156 -1.065 7.178 1.00 1.22 H new ATOM 0 HB3 ASP A 43 -14.975 -1.775 6.096 1.00 1.22 H new ATOM 603 N GLN A 44 -13.001 0.098 4.733 1.00 0.64 N ATOM 604 CA GLN A 44 -11.670 0.150 4.142 1.00 0.45 C ATOM 605 C GLN A 44 -10.935 1.394 4.621 1.00 0.42 C ATOM 606 O GLN A 44 -11.498 2.490 4.651 1.00 0.57 O ATOM 607 CB GLN A 44 -11.728 0.198 2.616 1.00 0.42 C ATOM 608 CG GLN A 44 -12.666 -0.814 1.983 1.00 0.57 C ATOM 609 CD GLN A 44 -12.774 -0.642 0.475 1.00 0.64 C ATOM 610 OE1 GLN A 44 -13.599 0.127 -0.015 1.00 1.40 O ATOM 611 NE2 GLN A 44 -11.954 -1.367 -0.270 1.00 1.18 N ATOM 0 H GLN A 44 -13.749 -0.089 4.066 1.00 0.64 H new ATOM 0 HA GLN A 44 -11.148 -0.755 4.452 1.00 0.45 H new ATOM 0 HB2 GLN A 44 -12.034 1.198 2.309 1.00 0.42 H new ATOM 0 HB3 GLN A 44 -10.724 0.038 2.223 1.00 0.42 H new ATOM 0 HG2 GLN A 44 -12.314 -1.821 2.207 1.00 0.57 H new ATOM 0 HG3 GLN A 44 -13.656 -0.716 2.429 1.00 0.57 H new ATOM 0 HE21 GLN A 44 -11.283 -1.994 0.173 1.00 1.18 H new ATOM 0 HE22 GLN A 44 -11.994 -1.298 -1.287 1.00 1.18 H new ATOM 620 N VAL A 45 -9.688 1.221 4.990 1.00 0.33 N ATOM 621 CA VAL A 45 -8.877 2.333 5.454 1.00 0.36 C ATOM 622 C VAL A 45 -8.038 2.870 4.312 1.00 0.27 C ATOM 623 O VAL A 45 -7.063 2.245 3.897 1.00 0.33 O ATOM 624 CB VAL A 45 -7.964 1.931 6.632 1.00 0.48 C ATOM 625 CG1 VAL A 45 -7.090 3.101 7.067 1.00 1.19 C ATOM 626 CG2 VAL A 45 -8.795 1.427 7.802 1.00 1.37 C ATOM 0 H VAL A 45 -9.208 0.321 4.980 1.00 0.33 H new ATOM 0 HA VAL A 45 -9.554 3.108 5.812 1.00 0.36 H new ATOM 0 HB VAL A 45 -7.312 1.125 6.295 1.00 0.48 H new ATOM 0 HG11 VAL A 45 -6.456 2.792 7.898 1.00 1.19 H new ATOM 0 HG12 VAL A 45 -6.465 3.418 6.232 1.00 1.19 H new ATOM 0 HG13 VAL A 45 -7.723 3.931 7.382 1.00 1.19 H new ATOM 0 HG21 VAL A 45 -8.135 1.148 8.623 1.00 1.37 H new ATOM 0 HG22 VAL A 45 -9.473 2.214 8.132 1.00 1.37 H new ATOM 0 HG23 VAL A 45 -9.373 0.557 7.490 1.00 1.37 H new ATOM 636 N ALA A 46 -8.444 4.014 3.798 1.00 0.24 N ATOM 637 CA ALA A 46 -7.773 4.628 2.671 1.00 0.21 C ATOM 638 C ALA A 46 -6.900 5.778 3.125 1.00 0.20 C ATOM 639 O ALA A 46 -7.381 6.888 3.371 1.00 0.30 O ATOM 640 CB ALA A 46 -8.791 5.114 1.659 1.00 0.29 C ATOM 0 H ALA A 46 -9.244 4.541 4.148 1.00 0.24 H new ATOM 0 HA ALA A 46 -7.136 3.878 2.202 1.00 0.21 H new ATOM 0 HB1 ALA A 46 -8.275 5.574 0.816 1.00 0.29 H new ATOM 0 HB2 ALA A 46 -9.384 4.270 1.305 1.00 0.29 H new ATOM 0 HB3 ALA A 46 -9.447 5.848 2.127 1.00 0.29 H new ATOM 646 N ILE A 47 -5.617 5.509 3.242 1.00 0.21 N ATOM 647 CA ILE A 47 -4.666 6.548 3.561 1.00 0.21 C ATOM 648 C ILE A 47 -3.934 6.975 2.309 1.00 0.20 C ATOM 649 O ILE A 47 -3.789 6.199 1.362 1.00 0.21 O ATOM 650 CB ILE A 47 -3.664 6.122 4.651 1.00 0.21 C ATOM 651 CG1 ILE A 47 -2.988 4.792 4.309 1.00 0.21 C ATOM 652 CG2 ILE A 47 -4.377 6.034 5.987 1.00 0.23 C ATOM 653 CD1 ILE A 47 -1.979 4.349 5.352 1.00 0.23 C ATOM 0 H ILE A 47 -5.211 4.581 3.121 1.00 0.21 H new ATOM 0 HA ILE A 47 -5.228 7.390 3.964 1.00 0.21 H new ATOM 0 HB ILE A 47 -2.878 6.875 4.709 1.00 0.21 H new ATOM 0 HG12 ILE A 47 -3.751 4.021 4.201 1.00 0.21 H new ATOM 0 HG13 ILE A 47 -2.488 4.883 3.345 1.00 0.21 H new ATOM 0 HG21 ILE A 47 -3.668 5.733 6.758 1.00 0.23 H new ATOM 0 HG22 ILE A 47 -4.797 7.008 6.240 1.00 0.23 H new ATOM 0 HG23 ILE A 47 -5.179 5.298 5.924 1.00 0.23 H new ATOM 0 HD11 ILE A 47 -1.536 3.400 5.050 1.00 0.23 H new ATOM 0 HD12 ILE A 47 -1.196 5.102 5.444 1.00 0.23 H new ATOM 0 HD13 ILE A 47 -2.479 4.226 6.313 1.00 0.23 H new ATOM 665 N GLN A 48 -3.506 8.222 2.297 1.00 0.24 N ATOM 666 CA GLN A 48 -2.873 8.794 1.128 1.00 0.25 C ATOM 667 C GLN A 48 -1.449 8.298 1.017 1.00 0.22 C ATOM 668 O GLN A 48 -0.656 8.406 1.955 1.00 0.36 O ATOM 669 CB GLN A 48 -2.908 10.317 1.198 1.00 0.36 C ATOM 670 CG GLN A 48 -2.659 10.961 -0.144 1.00 0.47 C ATOM 671 CD GLN A 48 -3.927 11.220 -0.927 1.00 1.43 C ATOM 672 OE1 GLN A 48 -4.982 11.496 -0.358 1.00 2.38 O ATOM 673 NE2 GLN A 48 -3.827 11.131 -2.242 1.00 1.78 N ATOM 0 H GLN A 48 -3.586 8.860 3.089 1.00 0.24 H new ATOM 0 HA GLN A 48 -3.421 8.480 0.240 1.00 0.25 H new ATOM 0 HB2 GLN A 48 -3.878 10.638 1.578 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -2.157 10.663 1.909 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.133 11.904 0.005 1.00 0.47 H new ATOM 0 HG3 GLN A 48 -2.002 10.319 -0.731 1.00 0.47 H new ATOM 0 HE21 GLN A 48 -2.931 10.899 -2.671 1.00 1.78 H new ATOM 0 HE22 GLN A 48 -4.646 11.294 -2.828 1.00 1.78 H new ATOM 682 N CYS A 49 -1.146 7.749 -0.136 1.00 0.26 N ATOM 683 CA CYS A 49 0.118 7.102 -0.367 1.00 0.25 C ATOM 684 C CYS A 49 0.928 7.834 -1.429 1.00 0.28 C ATOM 685 O CYS A 49 0.378 8.546 -2.272 1.00 0.32 O ATOM 686 CB CYS A 49 -0.133 5.658 -0.783 1.00 0.25 C ATOM 687 SG CYS A 49 -1.083 4.693 0.438 1.00 1.15 S ATOM 0 H CYS A 49 -1.773 7.740 -0.941 1.00 0.26 H new ATOM 0 HA CYS A 49 0.700 7.122 0.554 1.00 0.25 H new ATOM 0 HB2 CYS A 49 -0.668 5.651 -1.733 1.00 0.25 H new ATOM 0 HB3 CYS A 49 0.825 5.167 -0.953 1.00 0.25 H new ATOM 692 N THR A 50 2.237 7.650 -1.375 1.00 0.28 N ATOM 693 CA THR A 50 3.155 8.321 -2.278 1.00 0.36 C ATOM 694 C THR A 50 4.482 7.573 -2.314 1.00 0.38 C ATOM 695 O THR A 50 5.199 7.492 -1.315 1.00 0.45 O ATOM 696 CB THR A 50 3.381 9.797 -1.875 1.00 0.46 C ATOM 697 OG1 THR A 50 4.524 10.336 -2.553 1.00 0.60 O ATOM 698 CG2 THR A 50 3.558 9.933 -0.371 1.00 0.54 C ATOM 0 H THR A 50 2.692 7.031 -0.704 1.00 0.28 H new ATOM 0 HA THR A 50 2.709 8.319 -3.273 1.00 0.36 H new ATOM 0 HB THR A 50 2.496 10.361 -2.170 1.00 0.46 H new ATOM 0 HG1 THR A 50 4.651 11.271 -2.287 1.00 0.60 H new ATOM 0 HG21 THR A 50 3.715 10.981 -0.116 1.00 0.54 H new ATOM 0 HG22 THR A 50 2.665 9.567 0.135 1.00 0.54 H new ATOM 0 HG23 THR A 50 4.421 9.349 -0.052 1.00 0.54 H new ATOM 706 N GLN A 51 4.795 7.007 -3.462 1.00 0.39 N ATOM 707 CA GLN A 51 5.954 6.153 -3.588 1.00 0.42 C ATOM 708 C GLN A 51 6.932 6.703 -4.629 1.00 0.42 C ATOM 709 O GLN A 51 6.538 7.087 -5.733 1.00 0.58 O ATOM 710 CB GLN A 51 5.481 4.741 -3.940 1.00 0.57 C ATOM 711 CG GLN A 51 6.408 3.646 -3.448 1.00 0.66 C ATOM 712 CD GLN A 51 7.473 3.287 -4.453 1.00 1.01 C ATOM 713 OE1 GLN A 51 7.240 3.348 -5.658 1.00 2.08 O ATOM 714 NE2 GLN A 51 8.642 2.913 -3.968 1.00 0.74 N ATOM 0 H GLN A 51 4.260 7.125 -4.322 1.00 0.39 H new ATOM 0 HA GLN A 51 6.496 6.121 -2.643 1.00 0.42 H new ATOM 0 HB2 GLN A 51 4.490 4.583 -3.515 1.00 0.57 H new ATOM 0 HB3 GLN A 51 5.381 4.660 -5.022 1.00 0.57 H new ATOM 0 HG2 GLN A 51 6.883 3.968 -2.521 1.00 0.66 H new ATOM 0 HG3 GLN A 51 5.821 2.758 -3.214 1.00 0.66 H new ATOM 0 HE21 GLN A 51 8.788 2.878 -2.959 1.00 0.74 H new ATOM 0 HE22 GLN A 51 9.400 2.659 -4.602 1.00 0.74 H new ATOM 723 N ILE A 52 8.204 6.758 -4.244 1.00 0.43 N ATOM 724 CA ILE A 52 9.278 7.267 -5.096 1.00 0.50 C ATOM 725 C ILE A 52 9.448 6.393 -6.345 1.00 0.56 C ATOM 726 O ILE A 52 9.269 5.183 -6.272 1.00 0.65 O ATOM 727 CB ILE A 52 10.608 7.326 -4.294 1.00 0.63 C ATOM 728 CG1 ILE A 52 10.523 8.410 -3.215 1.00 0.72 C ATOM 729 CG2 ILE A 52 11.815 7.564 -5.197 1.00 0.85 C ATOM 730 CD1 ILE A 52 11.831 8.661 -2.492 1.00 0.95 C ATOM 0 H ILE A 52 8.522 6.449 -3.326 1.00 0.43 H new ATOM 0 HA ILE A 52 9.013 8.273 -5.421 1.00 0.50 H new ATOM 0 HB ILE A 52 10.750 6.355 -3.820 1.00 0.63 H new ATOM 0 HG12 ILE A 52 10.189 9.340 -3.674 1.00 0.72 H new ATOM 0 HG13 ILE A 52 9.765 8.124 -2.486 1.00 0.72 H new ATOM 0 HG21 ILE A 52 12.721 7.598 -4.592 1.00 0.85 H new ATOM 0 HG22 ILE A 52 11.893 6.754 -5.922 1.00 0.85 H new ATOM 0 HG23 ILE A 52 11.695 8.511 -5.723 1.00 0.85 H new ATOM 0 HD11 ILE A 52 11.689 9.441 -1.744 1.00 0.95 H new ATOM 0 HD12 ILE A 52 12.158 7.744 -2.002 1.00 0.95 H new ATOM 0 HD13 ILE A 52 12.588 8.979 -3.209 1.00 0.95 H new ATOM 742 N PRO A 53 9.750 7.014 -7.513 1.00 0.66 N ATOM 743 CA PRO A 53 10.006 6.315 -8.778 1.00 0.80 C ATOM 744 C PRO A 53 10.767 5.001 -8.601 1.00 0.82 C ATOM 745 O PRO A 53 11.826 4.962 -7.965 1.00 0.87 O ATOM 746 CB PRO A 53 10.847 7.320 -9.582 1.00 0.95 C ATOM 747 CG PRO A 53 10.910 8.573 -8.761 1.00 0.85 C ATOM 748 CD PRO A 53 9.844 8.460 -7.709 1.00 0.70 C ATOM 0 HA PRO A 53 9.075 6.026 -9.265 1.00 0.80 H new ATOM 0 HB2 PRO A 53 11.847 6.928 -9.769 1.00 0.95 H new ATOM 0 HB3 PRO A 53 10.394 7.515 -10.554 1.00 0.95 H new ATOM 0 HG2 PRO A 53 11.893 8.686 -8.304 1.00 0.85 H new ATOM 0 HG3 PRO A 53 10.745 9.452 -9.385 1.00 0.85 H new ATOM 0 HD2 PRO A 53 10.123 8.977 -6.791 1.00 0.70 H new ATOM 0 HD3 PRO A 53 8.898 8.887 -8.041 1.00 0.70 H new ATOM 756 N LEU A 54 10.221 3.948 -9.204 1.00 0.90 N ATOM 757 CA LEU A 54 10.690 2.582 -8.999 1.00 0.96 C ATOM 758 C LEU A 54 12.150 2.397 -9.389 1.00 0.90 C ATOM 759 O LEU A 54 12.562 2.747 -10.499 1.00 1.03 O ATOM 760 CB LEU A 54 9.834 1.607 -9.815 1.00 1.27 C ATOM 761 CG LEU A 54 8.344 1.589 -9.475 1.00 1.07 C ATOM 762 CD1 LEU A 54 7.606 0.619 -10.383 1.00 1.67 C ATOM 763 CD2 LEU A 54 8.132 1.215 -8.019 1.00 1.08 C ATOM 0 H LEU A 54 9.437 4.020 -9.852 1.00 0.90 H new ATOM 0 HA LEU A 54 10.599 2.377 -7.932 1.00 0.96 H new ATOM 0 HB2 LEU A 54 9.944 1.852 -10.871 1.00 1.27 H new ATOM 0 HB3 LEU A 54 10.231 0.601 -9.678 1.00 1.27 H new ATOM 0 HG LEU A 54 7.943 2.590 -9.635 1.00 1.07 H new ATOM 0 HD11 LEU A 54 6.546 0.617 -10.129 1.00 1.67 H new ATOM 0 HD12 LEU A 54 7.730 0.927 -11.421 1.00 1.67 H new ATOM 0 HD13 LEU A 54 8.012 -0.384 -10.251 1.00 1.67 H new ATOM 0 HD21 LEU A 54 7.065 1.208 -7.797 1.00 1.08 H new ATOM 0 HD22 LEU A 54 8.548 0.225 -7.833 1.00 1.08 H new ATOM 0 HD23 LEU A 54 8.631 1.944 -7.380 1.00 1.08 H new ATOM 775 N LEU A 55 12.923 1.858 -8.462 1.00 0.88 N ATOM 776 CA LEU A 55 14.276 1.426 -8.733 1.00 0.96 C ATOM 777 C LEU A 55 14.322 -0.095 -8.675 1.00 0.93 C ATOM 778 O LEU A 55 14.249 -0.687 -7.597 1.00 0.85 O ATOM 779 CB LEU A 55 15.228 2.030 -7.701 1.00 1.08 C ATOM 780 CG LEU A 55 15.227 3.558 -7.636 1.00 1.26 C ATOM 781 CD1 LEU A 55 16.202 4.050 -6.582 1.00 1.52 C ATOM 782 CD2 LEU A 55 15.566 4.149 -8.995 1.00 1.58 C ATOM 0 H LEU A 55 12.625 1.709 -7.498 1.00 0.88 H new ATOM 0 HA LEU A 55 14.587 1.761 -9.723 1.00 0.96 H new ATOM 0 HB2 LEU A 55 14.968 1.639 -6.717 1.00 1.08 H new ATOM 0 HB3 LEU A 55 16.240 1.692 -7.921 1.00 1.08 H new ATOM 0 HG LEU A 55 14.227 3.889 -7.356 1.00 1.26 H new ATOM 0 HD11 LEU A 55 16.186 5.139 -6.552 1.00 1.52 H new ATOM 0 HD12 LEU A 55 15.914 3.656 -5.608 1.00 1.52 H new ATOM 0 HD13 LEU A 55 17.207 3.709 -6.829 1.00 1.52 H new ATOM 0 HD21 LEU A 55 15.561 5.237 -8.930 1.00 1.58 H new ATOM 0 HD22 LEU A 55 16.555 3.809 -9.303 1.00 1.58 H new ATOM 0 HD23 LEU A 55 14.826 3.826 -9.727 1.00 1.58 H new ATOM 794 N ILE A 56 14.459 -0.726 -9.831 1.00 1.10 N ATOM 795 CA ILE A 56 14.316 -2.171 -9.923 1.00 1.16 C ATOM 796 C ILE A 56 15.427 -2.882 -9.162 1.00 1.07 C ATOM 797 O ILE A 56 16.602 -2.523 -9.263 1.00 1.14 O ATOM 798 CB ILE A 56 14.312 -2.658 -11.384 1.00 1.45 C ATOM 799 CG1 ILE A 56 13.376 -1.794 -12.236 1.00 1.68 C ATOM 800 CG2 ILE A 56 13.885 -4.118 -11.450 1.00 1.58 C ATOM 801 CD1 ILE A 56 13.369 -2.171 -13.703 1.00 2.11 C ATOM 0 H ILE A 56 14.668 -0.263 -10.715 1.00 1.10 H new ATOM 0 HA ILE A 56 13.354 -2.416 -9.473 1.00 1.16 H new ATOM 0 HB ILE A 56 15.323 -2.568 -11.781 1.00 1.45 H new ATOM 0 HG12 ILE A 56 12.362 -1.876 -11.844 1.00 1.68 H new ATOM 0 HG13 ILE A 56 13.672 -0.749 -12.140 1.00 1.68 H new ATOM 0 HG21 ILE A 56 13.886 -4.451 -12.488 1.00 1.58 H new ATOM 0 HG22 ILE A 56 14.581 -4.727 -10.873 1.00 1.58 H new ATOM 0 HG23 ILE A 56 12.882 -4.223 -11.036 1.00 1.58 H new ATOM 0 HD11 ILE A 56 12.684 -1.517 -14.243 1.00 2.11 H new ATOM 0 HD12 ILE A 56 14.374 -2.062 -14.112 1.00 2.11 H new ATOM 0 HD13 ILE A 56 13.044 -3.206 -13.811 1.00 2.11 H new ATOM 813 N GLY A 57 15.035 -3.884 -8.397 1.00 1.03 N ATOM 814 CA GLY A 57 15.981 -4.636 -7.603 1.00 1.00 C ATOM 815 C GLY A 57 16.017 -4.165 -6.166 1.00 0.86 C ATOM 816 O GLY A 57 16.577 -4.834 -5.297 1.00 0.90 O ATOM 0 H GLY A 57 14.067 -4.194 -8.311 1.00 1.03 H new ATOM 0 HA2 GLY A 57 15.718 -5.693 -7.631 1.00 1.00 H new ATOM 0 HA3 GLY A 57 16.975 -4.543 -8.040 1.00 1.00 H new ATOM 820 N ILE A 58 15.413 -3.014 -5.910 1.00 0.77 N ATOM 821 CA ILE A 58 15.427 -2.426 -4.583 1.00 0.66 C ATOM 822 C ILE A 58 14.091 -2.602 -3.868 1.00 0.61 C ATOM 823 O ILE A 58 13.036 -2.730 -4.489 1.00 0.69 O ATOM 824 CB ILE A 58 15.836 -0.931 -4.652 1.00 0.67 C ATOM 825 CG1 ILE A 58 17.285 -0.764 -4.191 1.00 0.72 C ATOM 826 CG2 ILE A 58 14.910 -0.035 -3.838 1.00 0.60 C ATOM 827 CD1 ILE A 58 17.502 -1.106 -2.729 1.00 0.71 C ATOM 0 H ILE A 58 14.906 -2.469 -6.607 1.00 0.77 H new ATOM 0 HA ILE A 58 16.174 -2.958 -3.994 1.00 0.66 H new ATOM 0 HB ILE A 58 15.746 -0.616 -5.692 1.00 0.67 H new ATOM 0 HG12 ILE A 58 17.927 -1.398 -4.803 1.00 0.72 H new ATOM 0 HG13 ILE A 58 17.596 0.266 -4.364 1.00 0.72 H new ATOM 0 HG21 ILE A 58 15.241 1.000 -3.920 1.00 0.60 H new ATOM 0 HG22 ILE A 58 13.892 -0.122 -4.218 1.00 0.60 H new ATOM 0 HG23 ILE A 58 14.934 -0.341 -2.792 1.00 0.60 H new ATOM 0 HD11 ILE A 58 18.552 -0.964 -2.474 1.00 0.71 H new ATOM 0 HD12 ILE A 58 16.887 -0.455 -2.108 1.00 0.71 H new ATOM 0 HD13 ILE A 58 17.223 -2.145 -2.553 1.00 0.71 H new ATOM 839 N ALA A 59 14.185 -2.640 -2.553 1.00 0.57 N ATOM 840 CA ALA A 59 13.042 -2.784 -1.670 1.00 0.59 C ATOM 841 C ALA A 59 12.383 -1.431 -1.421 1.00 0.49 C ATOM 842 O ALA A 59 13.062 -0.434 -1.185 1.00 0.50 O ATOM 843 CB ALA A 59 13.527 -3.380 -0.365 1.00 0.68 C ATOM 0 H ALA A 59 15.074 -2.570 -2.058 1.00 0.57 H new ATOM 0 HA ALA A 59 12.299 -3.436 -2.128 1.00 0.59 H new ATOM 0 HB1 ALA A 59 12.684 -3.498 0.316 1.00 0.68 H new ATOM 0 HB2 ALA A 59 13.979 -4.353 -0.555 1.00 0.68 H new ATOM 0 HB3 ALA A 59 14.267 -2.718 0.084 1.00 0.68 H new ATOM 849 N ILE A 60 11.049 -1.428 -1.443 1.00 0.46 N ATOM 850 CA ILE A 60 10.245 -0.208 -1.322 1.00 0.42 C ATOM 851 C ILE A 60 10.570 0.573 -0.057 1.00 0.40 C ATOM 852 O ILE A 60 10.633 1.804 -0.070 1.00 0.39 O ATOM 853 CB ILE A 60 8.734 -0.532 -1.302 1.00 0.53 C ATOM 854 CG1 ILE A 60 7.914 0.761 -1.233 1.00 0.61 C ATOM 855 CG2 ILE A 60 8.397 -1.456 -0.133 1.00 0.62 C ATOM 856 CD1 ILE A 60 6.421 0.536 -1.215 1.00 0.69 C ATOM 0 H ILE A 60 10.492 -2.276 -1.546 1.00 0.46 H new ATOM 0 HA ILE A 60 10.492 0.397 -2.194 1.00 0.42 H new ATOM 0 HB ILE A 60 8.477 -1.051 -2.225 1.00 0.53 H new ATOM 0 HG12 ILE A 60 8.199 1.314 -0.338 1.00 0.61 H new ATOM 0 HG13 ILE A 60 8.167 1.387 -2.089 1.00 0.61 H new ATOM 0 HG21 ILE A 60 7.329 -1.672 -0.136 1.00 0.62 H new ATOM 0 HG22 ILE A 60 8.956 -2.387 -0.232 1.00 0.62 H new ATOM 0 HG23 ILE A 60 8.666 -0.969 0.805 1.00 0.62 H new ATOM 0 HD11 ILE A 60 5.909 1.497 -1.165 1.00 0.69 H new ATOM 0 HD12 ILE A 60 6.121 0.011 -2.122 1.00 0.69 H new ATOM 0 HD13 ILE A 60 6.154 -0.063 -0.344 1.00 0.69 H new ATOM 868 N GLU A 61 10.782 -0.153 1.025 1.00 0.49 N ATOM 869 CA GLU A 61 10.975 0.441 2.331 1.00 0.60 C ATOM 870 C GLU A 61 12.346 1.102 2.431 1.00 0.58 C ATOM 871 O GLU A 61 12.618 1.859 3.364 1.00 0.71 O ATOM 872 CB GLU A 61 10.794 -0.622 3.417 1.00 0.83 C ATOM 873 CG GLU A 61 11.605 -1.890 3.188 1.00 0.73 C ATOM 874 CD GLU A 61 10.872 -2.954 2.392 1.00 1.47 C ATOM 875 OE1 GLU A 61 10.760 -2.805 1.156 1.00 2.20 O ATOM 876 OE2 GLU A 61 10.386 -3.926 3.001 1.00 1.82 O ATOM 0 H GLU A 61 10.825 -1.172 1.021 1.00 0.49 H new ATOM 0 HA GLU A 61 10.225 1.219 2.478 1.00 0.60 H new ATOM 0 HB2 GLU A 61 11.074 -0.194 4.380 1.00 0.83 H new ATOM 0 HB3 GLU A 61 9.738 -0.885 3.480 1.00 0.83 H new ATOM 0 HG2 GLU A 61 12.527 -1.631 2.667 1.00 0.73 H new ATOM 0 HG3 GLU A 61 11.891 -2.306 4.154 1.00 0.73 H new ATOM 883 N ASP A 62 13.203 0.811 1.463 1.00 0.54 N ATOM 884 CA ASP A 62 14.508 1.452 1.374 1.00 0.60 C ATOM 885 C ASP A 62 14.533 2.391 0.173 1.00 0.51 C ATOM 886 O ASP A 62 15.382 3.277 0.068 1.00 0.65 O ATOM 887 CB ASP A 62 15.613 0.398 1.253 1.00 0.75 C ATOM 888 CG ASP A 62 17.006 0.994 1.312 1.00 1.16 C ATOM 889 OD1 ASP A 62 17.445 1.382 2.417 1.00 1.22 O ATOM 890 OD2 ASP A 62 17.681 1.055 0.262 1.00 1.98 O ATOM 0 H ASP A 62 13.017 0.132 0.725 1.00 0.54 H new ATOM 0 HA ASP A 62 14.686 2.029 2.281 1.00 0.60 H new ATOM 0 HB2 ASP A 62 15.501 -0.332 2.055 1.00 0.75 H new ATOM 0 HB3 ASP A 62 15.493 -0.140 0.313 1.00 0.75 H new ATOM 895 N GLU A 63 13.582 2.194 -0.733 1.00 0.40 N ATOM 896 CA GLU A 63 13.466 3.011 -1.928 1.00 0.40 C ATOM 897 C GLU A 63 12.889 4.375 -1.575 1.00 0.34 C ATOM 898 O GLU A 63 13.349 5.408 -2.069 1.00 0.42 O ATOM 899 CB GLU A 63 12.570 2.303 -2.950 1.00 0.43 C ATOM 900 CG GLU A 63 12.597 2.923 -4.333 1.00 0.64 C ATOM 901 CD GLU A 63 11.819 2.110 -5.348 1.00 1.40 C ATOM 902 OE1 GLU A 63 10.629 2.398 -5.554 1.00 2.09 O ATOM 903 OE2 GLU A 63 12.398 1.179 -5.938 1.00 1.68 O ATOM 0 H GLU A 63 12.873 1.465 -0.657 1.00 0.40 H new ATOM 0 HA GLU A 63 14.455 3.155 -2.362 1.00 0.40 H new ATOM 0 HB2 GLU A 63 12.877 1.260 -3.025 1.00 0.43 H new ATOM 0 HB3 GLU A 63 11.544 2.307 -2.582 1.00 0.43 H new ATOM 0 HG2 GLU A 63 12.183 3.930 -4.284 1.00 0.64 H new ATOM 0 HG3 GLU A 63 13.631 3.019 -4.665 1.00 0.64 H new ATOM 910 N CYS A 64 11.900 4.377 -0.694 1.00 0.29 N ATOM 911 CA CYS A 64 11.261 5.612 -0.275 1.00 0.32 C ATOM 912 C CYS A 64 11.647 5.937 1.164 1.00 0.40 C ATOM 913 O CYS A 64 12.342 5.158 1.818 1.00 0.60 O ATOM 914 CB CYS A 64 9.742 5.494 -0.406 1.00 0.33 C ATOM 915 SG CYS A 64 8.954 4.505 0.905 1.00 0.47 S ATOM 0 H CYS A 64 11.524 3.536 -0.256 1.00 0.29 H new ATOM 0 HA CYS A 64 11.601 6.422 -0.920 1.00 0.32 H new ATOM 0 HB2 CYS A 64 9.309 6.494 -0.401 1.00 0.33 H new ATOM 0 HB3 CYS A 64 9.505 5.050 -1.373 1.00 0.33 H new ATOM 920 N LYS A 65 11.208 7.089 1.652 1.00 0.43 N ATOM 921 CA LYS A 65 11.558 7.532 2.995 1.00 0.51 C ATOM 922 C LYS A 65 10.312 7.813 3.826 1.00 0.45 C ATOM 923 O LYS A 65 10.346 8.612 4.761 1.00 0.60 O ATOM 924 CB LYS A 65 12.429 8.786 2.929 1.00 0.69 C ATOM 925 CG LYS A 65 13.752 8.581 2.206 1.00 1.41 C ATOM 926 CD LYS A 65 14.701 7.684 2.990 1.00 1.33 C ATOM 927 CE LYS A 65 15.177 8.348 4.276 1.00 1.77 C ATOM 928 NZ LYS A 65 15.925 9.609 4.015 1.00 2.32 N ATOM 0 H LYS A 65 10.608 7.734 1.138 1.00 0.43 H new ATOM 0 HA LYS A 65 12.117 6.729 3.476 1.00 0.51 H new ATOM 0 HB2 LYS A 65 11.872 9.578 2.428 1.00 0.69 H new ATOM 0 HB3 LYS A 65 12.630 9.130 3.943 1.00 0.69 H new ATOM 0 HG2 LYS A 65 13.565 8.141 1.226 1.00 1.41 H new ATOM 0 HG3 LYS A 65 14.225 9.548 2.036 1.00 1.41 H new ATOM 0 HD2 LYS A 65 14.200 6.746 3.230 1.00 1.33 H new ATOM 0 HD3 LYS A 65 15.562 7.436 2.369 1.00 1.33 H new ATOM 0 HE2 LYS A 65 14.318 8.562 4.912 1.00 1.77 H new ATOM 0 HE3 LYS A 65 15.815 7.656 4.825 1.00 1.77 H new ATOM 0 HZ1 LYS A 65 16.442 9.890 4.873 1.00 2.32 H new ATOM 0 HZ2 LYS A 65 16.600 9.458 3.238 1.00 2.32 H new ATOM 0 HZ3 LYS A 65 15.257 10.361 3.751 1.00 2.32 H new ATOM 942 N ASN A 66 9.213 7.163 3.481 1.00 0.35 N ATOM 943 CA ASN A 66 7.977 7.305 4.243 1.00 0.30 C ATOM 944 C ASN A 66 7.634 5.992 4.927 1.00 0.29 C ATOM 945 O ASN A 66 8.454 5.072 4.953 1.00 0.41 O ATOM 946 CB ASN A 66 6.815 7.761 3.354 1.00 0.36 C ATOM 947 CG ASN A 66 6.870 9.243 3.031 1.00 0.59 C ATOM 948 OD1 ASN A 66 6.363 10.073 3.785 1.00 1.06 O ATOM 949 ND2 ASN A 66 7.472 9.590 1.906 1.00 1.02 N ATOM 0 H ASN A 66 9.148 6.533 2.681 1.00 0.35 H new ATOM 0 HA ASN A 66 8.135 8.074 4.999 1.00 0.30 H new ATOM 0 HB2 ASN A 66 6.828 7.190 2.425 1.00 0.36 H new ATOM 0 HB3 ASN A 66 5.872 7.537 3.853 1.00 0.36 H new ATOM 0 HD21 ASN A 66 7.527 10.573 1.639 1.00 1.02 H new ATOM 0 HD22 ASN A 66 7.881 8.875 1.305 1.00 1.02 H new ATOM 956 N THR A 67 6.437 5.898 5.481 1.00 0.28 N ATOM 957 CA THR A 67 6.041 4.705 6.200 1.00 0.27 C ATOM 958 C THR A 67 5.617 3.606 5.234 1.00 0.25 C ATOM 959 O THR A 67 4.772 3.818 4.363 1.00 0.26 O ATOM 960 CB THR A 67 4.896 4.986 7.193 1.00 0.29 C ATOM 961 OG1 THR A 67 5.204 6.141 7.987 1.00 0.34 O ATOM 962 CG2 THR A 67 4.684 3.784 8.104 1.00 0.31 C ATOM 0 H THR A 67 5.728 6.630 5.446 1.00 0.28 H new ATOM 0 HA THR A 67 6.911 4.374 6.766 1.00 0.27 H new ATOM 0 HB THR A 67 3.983 5.172 6.627 1.00 0.29 H new ATOM 0 HG1 THR A 67 4.470 6.312 8.613 1.00 0.34 H new ATOM 0 HG21 THR A 67 3.873 3.994 8.801 1.00 0.31 H new ATOM 0 HG22 THR A 67 4.428 2.912 7.502 1.00 0.31 H new ATOM 0 HG23 THR A 67 5.599 3.584 8.662 1.00 0.31 H new ATOM 970 N PRO A 68 6.213 2.421 5.377 1.00 0.28 N ATOM 971 CA PRO A 68 5.882 1.269 4.559 1.00 0.30 C ATOM 972 C PRO A 68 4.636 0.574 5.084 1.00 0.25 C ATOM 973 O PRO A 68 4.542 0.257 6.271 1.00 0.28 O ATOM 974 CB PRO A 68 7.112 0.374 4.700 1.00 0.38 C ATOM 975 CG PRO A 68 7.711 0.724 6.025 1.00 0.45 C ATOM 976 CD PRO A 68 7.244 2.113 6.379 1.00 0.38 C ATOM 0 HA PRO A 68 5.661 1.527 3.523 1.00 0.30 H new ATOM 0 HB2 PRO A 68 6.837 -0.680 4.660 1.00 0.38 H new ATOM 0 HB3 PRO A 68 7.820 0.550 3.890 1.00 0.38 H new ATOM 0 HG2 PRO A 68 7.401 0.009 6.787 1.00 0.45 H new ATOM 0 HG3 PRO A 68 8.799 0.686 5.976 1.00 0.45 H new ATOM 0 HD2 PRO A 68 6.838 2.150 7.390 1.00 0.38 H new ATOM 0 HD3 PRO A 68 8.064 2.830 6.338 1.00 0.38 H new ATOM 984 N THR A 69 3.668 0.362 4.218 1.00 0.23 N ATOM 985 CA THR A 69 2.422 -0.244 4.635 1.00 0.21 C ATOM 986 C THR A 69 2.046 -1.409 3.725 1.00 0.23 C ATOM 987 O THR A 69 2.388 -1.419 2.542 1.00 0.29 O ATOM 988 CB THR A 69 1.277 0.794 4.636 1.00 0.24 C ATOM 989 OG1 THR A 69 1.071 1.297 3.315 1.00 0.31 O ATOM 990 CG2 THR A 69 1.577 1.961 5.569 1.00 0.30 C ATOM 0 H THR A 69 3.719 0.599 3.227 1.00 0.23 H new ATOM 0 HA THR A 69 2.567 -0.618 5.648 1.00 0.21 H new ATOM 0 HB THR A 69 0.379 0.289 4.991 1.00 0.24 H new ATOM 0 HG1 THR A 69 1.932 1.557 2.926 1.00 0.31 H new ATOM 0 HG21 THR A 69 0.749 2.670 5.543 1.00 0.30 H new ATOM 0 HG22 THR A 69 1.705 1.590 6.586 1.00 0.30 H new ATOM 0 HG23 THR A 69 2.491 2.459 5.246 1.00 0.30 H new ATOM 998 N CYS A 70 1.377 -2.402 4.294 1.00 0.23 N ATOM 999 CA CYS A 70 0.832 -3.506 3.520 1.00 0.27 C ATOM 1000 C CYS A 70 -0.636 -3.241 3.234 1.00 0.22 C ATOM 1001 O CYS A 70 -1.468 -3.251 4.145 1.00 0.27 O ATOM 1002 CB CYS A 70 0.985 -4.834 4.269 1.00 0.38 C ATOM 1003 SG CYS A 70 0.208 -6.260 3.431 1.00 1.26 S ATOM 0 H CYS A 70 1.198 -2.464 5.296 1.00 0.23 H new ATOM 0 HA CYS A 70 1.385 -3.581 2.584 1.00 0.27 H new ATOM 0 HB2 CYS A 70 2.046 -5.041 4.405 1.00 0.38 H new ATOM 0 HB3 CYS A 70 0.550 -4.730 5.263 1.00 0.38 H new ATOM 1008 N CYS A 71 -0.941 -2.982 1.981 1.00 0.21 N ATOM 1009 CA CYS A 71 -2.297 -2.672 1.572 1.00 0.19 C ATOM 1010 C CYS A 71 -2.969 -3.914 1.015 1.00 0.21 C ATOM 1011 O CYS A 71 -2.340 -4.722 0.329 1.00 0.28 O ATOM 1012 CB CYS A 71 -2.275 -1.569 0.514 1.00 0.22 C ATOM 1013 SG CYS A 71 -1.347 -0.083 1.013 1.00 0.29 S ATOM 0 H CYS A 71 -0.262 -2.980 1.220 1.00 0.21 H new ATOM 0 HA CYS A 71 -2.862 -2.326 2.438 1.00 0.19 H new ATOM 0 HB2 CYS A 71 -1.838 -1.967 -0.402 1.00 0.22 H new ATOM 0 HB3 CYS A 71 -3.301 -1.283 0.280 1.00 0.22 H new ATOM 1018 N GLU A 72 -4.243 -4.072 1.332 1.00 0.22 N ATOM 1019 CA GLU A 72 -5.029 -5.165 0.805 1.00 0.24 C ATOM 1020 C GLU A 72 -5.355 -4.893 -0.659 1.00 0.25 C ATOM 1021 O GLU A 72 -5.575 -5.811 -1.449 1.00 0.37 O ATOM 1022 CB GLU A 72 -6.290 -5.352 1.657 1.00 0.27 C ATOM 1023 CG GLU A 72 -7.510 -5.756 0.861 1.00 1.10 C ATOM 1024 CD GLU A 72 -8.602 -6.340 1.725 1.00 1.22 C ATOM 1025 OE1 GLU A 72 -9.137 -5.606 2.581 1.00 1.53 O ATOM 1026 OE2 GLU A 72 -8.951 -7.520 1.532 1.00 1.37 O ATOM 0 H GLU A 72 -4.755 -3.449 1.957 1.00 0.22 H new ATOM 0 HA GLU A 72 -4.464 -6.096 0.851 1.00 0.24 H new ATOM 0 HB2 GLU A 72 -6.095 -6.110 2.416 1.00 0.27 H new ATOM 0 HB3 GLU A 72 -6.503 -4.422 2.183 1.00 0.27 H new ATOM 0 HG2 GLU A 72 -7.898 -4.886 0.331 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -7.220 -6.486 0.105 1.00 1.10 H new ATOM 1033 N ASP A 73 -5.345 -3.616 -1.009 1.00 0.21 N ATOM 1034 CA ASP A 73 -5.547 -3.178 -2.378 1.00 0.24 C ATOM 1035 C ASP A 73 -5.073 -1.743 -2.504 1.00 0.22 C ATOM 1036 O ASP A 73 -4.868 -1.076 -1.495 1.00 0.19 O ATOM 1037 CB ASP A 73 -7.019 -3.269 -2.759 1.00 0.29 C ATOM 1038 CG ASP A 73 -7.239 -3.137 -4.246 1.00 0.79 C ATOM 1039 OD1 ASP A 73 -8.386 -2.881 -4.650 1.00 1.26 O ATOM 1040 OD2 ASP A 73 -6.271 -3.295 -5.016 1.00 1.03 O ATOM 0 H ASP A 73 -5.196 -2.853 -0.348 1.00 0.21 H new ATOM 0 HA ASP A 73 -4.980 -3.822 -3.050 1.00 0.24 H new ATOM 0 HB2 ASP A 73 -7.421 -4.223 -2.419 1.00 0.29 H new ATOM 0 HB3 ASP A 73 -7.574 -2.486 -2.242 1.00 0.29 H new ATOM 1045 N VAL A 74 -4.879 -1.271 -3.725 1.00 0.28 N ATOM 1046 CA VAL A 74 -4.490 0.114 -3.944 1.00 0.30 C ATOM 1047 C VAL A 74 -5.256 0.677 -5.135 1.00 0.43 C ATOM 1048 O VAL A 74 -5.448 -0.007 -6.140 1.00 0.68 O ATOM 1049 CB VAL A 74 -2.966 0.287 -4.187 1.00 0.38 C ATOM 1050 CG1 VAL A 74 -2.552 1.717 -3.898 1.00 0.81 C ATOM 1051 CG2 VAL A 74 -2.148 -0.677 -3.339 1.00 1.07 C ATOM 0 H VAL A 74 -4.984 -1.823 -4.576 1.00 0.28 H new ATOM 0 HA VAL A 74 -4.735 0.659 -3.032 1.00 0.30 H new ATOM 0 HB VAL A 74 -2.768 0.057 -5.234 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -1.482 1.828 -4.071 1.00 0.81 H new ATOM 0 HG12 VAL A 74 -3.098 2.394 -4.555 1.00 0.81 H new ATOM 0 HG13 VAL A 74 -2.778 1.958 -2.859 1.00 0.81 H new ATOM 0 HG21 VAL A 74 -1.087 -0.525 -3.537 1.00 1.07 H new ATOM 0 HG22 VAL A 74 -2.350 -0.494 -2.284 1.00 1.07 H new ATOM 0 HG23 VAL A 74 -2.421 -1.702 -3.588 1.00 1.07 H new ATOM 1061 N GLU A 75 -5.707 1.914 -5.001 1.00 0.33 N ATOM 1062 CA GLU A 75 -6.494 2.574 -6.031 1.00 0.46 C ATOM 1063 C GLU A 75 -5.659 3.668 -6.704 1.00 0.50 C ATOM 1064 O GLU A 75 -4.641 4.106 -6.151 1.00 0.45 O ATOM 1065 CB GLU A 75 -7.760 3.164 -5.400 1.00 0.54 C ATOM 1066 CG GLU A 75 -8.866 3.489 -6.390 1.00 0.98 C ATOM 1067 CD GLU A 75 -10.088 4.077 -5.715 1.00 1.41 C ATOM 1068 OE1 GLU A 75 -10.310 5.298 -5.838 1.00 1.87 O ATOM 1069 OE2 GLU A 75 -10.828 3.323 -5.052 1.00 1.85 O ATOM 0 H GLU A 75 -5.538 2.489 -4.176 1.00 0.33 H new ATOM 0 HA GLU A 75 -6.785 1.851 -6.793 1.00 0.46 H new ATOM 0 HB2 GLU A 75 -8.145 2.460 -4.663 1.00 0.54 H new ATOM 0 HB3 GLU A 75 -7.492 4.074 -4.862 1.00 0.54 H new ATOM 0 HG2 GLU A 75 -8.490 4.193 -7.133 1.00 0.98 H new ATOM 0 HG3 GLU A 75 -9.150 2.582 -6.925 1.00 0.98 H new ATOM 1076 N ASP A 76 -6.095 4.101 -7.890 1.00 0.61 N ATOM 1077 CA ASP A 76 -5.357 5.076 -8.704 1.00 0.65 C ATOM 1078 C ASP A 76 -4.035 4.468 -9.157 1.00 0.67 C ATOM 1079 O ASP A 76 -3.923 3.250 -9.292 1.00 0.69 O ATOM 1080 CB ASP A 76 -5.088 6.383 -7.932 1.00 0.61 C ATOM 1081 CG ASP A 76 -5.018 7.589 -8.846 1.00 1.10 C ATOM 1082 OD1 ASP A 76 -3.913 7.905 -9.329 1.00 1.94 O ATOM 1083 OD2 ASP A 76 -6.067 8.223 -9.082 1.00 1.15 O ATOM 0 H ASP A 76 -6.968 3.787 -8.314 1.00 0.61 H new ATOM 0 HA ASP A 76 -5.973 5.321 -9.569 1.00 0.65 H new ATOM 0 HB2 ASP A 76 -5.876 6.535 -7.194 1.00 0.61 H new ATOM 0 HB3 ASP A 76 -4.151 6.291 -7.383 1.00 0.61 H new ATOM 1088 N ASP A 77 -3.035 5.307 -9.383 1.00 0.70 N ATOM 1089 CA ASP A 77 -1.690 4.831 -9.696 1.00 0.77 C ATOM 1090 C ASP A 77 -1.055 4.200 -8.455 1.00 0.67 C ATOM 1091 O ASP A 77 0.013 3.589 -8.516 1.00 0.81 O ATOM 1092 CB ASP A 77 -0.825 5.988 -10.212 1.00 0.89 C ATOM 1093 CG ASP A 77 0.576 5.552 -10.595 1.00 1.36 C ATOM 1094 OD1 ASP A 77 0.719 4.793 -11.579 1.00 1.59 O ATOM 1095 OD2 ASP A 77 1.538 5.967 -9.915 1.00 2.12 O ATOM 0 H ASP A 77 -3.127 6.323 -9.356 1.00 0.70 H new ATOM 0 HA ASP A 77 -1.756 4.074 -10.477 1.00 0.77 H new ATOM 0 HB2 ASP A 77 -1.309 6.439 -11.078 1.00 0.89 H new ATOM 0 HB3 ASP A 77 -0.763 6.759 -9.444 1.00 0.89 H new ATOM 1100 N GLY A 78 -1.758 4.304 -7.337 1.00 0.51 N ATOM 1101 CA GLY A 78 -1.234 3.829 -6.079 1.00 0.44 C ATOM 1102 C GLY A 78 -1.177 4.922 -5.032 1.00 0.33 C ATOM 1103 O GLY A 78 -0.384 4.855 -4.092 1.00 0.35 O ATOM 0 H GLY A 78 -2.691 4.713 -7.282 1.00 0.51 H new ATOM 0 HA2 GLY A 78 -1.856 3.011 -5.714 1.00 0.44 H new ATOM 0 HA3 GLY A 78 -0.234 3.424 -6.234 1.00 0.44 H new ATOM 1107 N LEU A 79 -2.013 5.943 -5.200 1.00 0.27 N ATOM 1108 CA LEU A 79 -2.057 7.059 -4.258 1.00 0.22 C ATOM 1109 C LEU A 79 -3.003 6.761 -3.110 1.00 0.19 C ATOM 1110 O LEU A 79 -2.940 7.393 -2.060 1.00 0.22 O ATOM 1111 CB LEU A 79 -2.536 8.336 -4.945 1.00 0.26 C ATOM 1112 CG LEU A 79 -1.871 8.657 -6.281 1.00 0.32 C ATOM 1113 CD1 LEU A 79 -2.364 9.993 -6.809 1.00 1.10 C ATOM 1114 CD2 LEU A 79 -0.353 8.658 -6.146 1.00 0.94 C ATOM 0 H LEU A 79 -2.668 6.021 -5.978 1.00 0.27 H new ATOM 0 HA LEU A 79 -1.044 7.198 -3.881 1.00 0.22 H new ATOM 0 HB2 LEU A 79 -3.612 8.260 -5.104 1.00 0.26 H new ATOM 0 HB3 LEU A 79 -2.373 9.174 -4.268 1.00 0.26 H new ATOM 0 HG LEU A 79 -2.144 7.880 -6.995 1.00 0.32 H new ATOM 0 HD11 LEU A 79 -1.881 10.208 -7.762 1.00 1.10 H new ATOM 0 HD12 LEU A 79 -3.444 9.952 -6.951 1.00 1.10 H new ATOM 0 HD13 LEU A 79 -2.121 10.779 -6.094 1.00 1.10 H new ATOM 0 HD21 LEU A 79 0.098 8.889 -7.111 1.00 0.94 H new ATOM 0 HD22 LEU A 79 -0.053 9.410 -5.416 1.00 0.94 H new ATOM 0 HD23 LEU A 79 -0.017 7.676 -5.814 1.00 0.94 H new ATOM 1126 N VAL A 80 -3.896 5.816 -3.325 1.00 0.19 N ATOM 1127 CA VAL A 80 -4.925 5.512 -2.349 1.00 0.20 C ATOM 1128 C VAL A 80 -4.869 4.045 -1.971 1.00 0.20 C ATOM 1129 O VAL A 80 -5.338 3.190 -2.717 1.00 0.27 O ATOM 1130 CB VAL A 80 -6.322 5.845 -2.905 1.00 0.27 C ATOM 1131 CG1 VAL A 80 -7.398 5.629 -1.850 1.00 0.28 C ATOM 1132 CG2 VAL A 80 -6.354 7.270 -3.438 1.00 0.33 C ATOM 0 H VAL A 80 -3.930 5.244 -4.169 1.00 0.19 H new ATOM 0 HA VAL A 80 -4.744 6.123 -1.465 1.00 0.20 H new ATOM 0 HB VAL A 80 -6.533 5.166 -3.731 1.00 0.27 H new ATOM 0 HG11 VAL A 80 -8.374 5.872 -2.271 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -7.390 4.587 -1.530 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -7.202 6.273 -0.993 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -7.348 7.491 -3.828 1.00 0.33 H new ATOM 0 HG22 VAL A 80 -6.118 7.965 -2.632 1.00 0.33 H new ATOM 0 HG23 VAL A 80 -5.620 7.376 -4.236 1.00 0.33 H new ATOM 1142 N GLY A 81 -4.285 3.753 -0.827 1.00 0.18 N ATOM 1143 CA GLY A 81 -4.167 2.379 -0.406 1.00 0.21 C ATOM 1144 C GLY A 81 -5.347 1.941 0.429 1.00 0.20 C ATOM 1145 O GLY A 81 -5.832 2.692 1.273 1.00 0.26 O ATOM 0 H GLY A 81 -3.891 4.439 -0.183 1.00 0.18 H new ATOM 0 HA2 GLY A 81 -4.085 1.737 -1.283 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -3.249 2.253 0.169 1.00 0.21 H new ATOM 1149 N ILE A 82 -5.819 0.732 0.184 1.00 0.18 N ATOM 1150 CA ILE A 82 -6.928 0.180 0.927 1.00 0.17 C ATOM 1151 C ILE A 82 -6.411 -0.739 2.014 1.00 0.17 C ATOM 1152 O ILE A 82 -5.752 -1.744 1.730 1.00 0.19 O ATOM 1153 CB ILE A 82 -7.908 -0.607 0.018 1.00 0.19 C ATOM 1154 CG1 ILE A 82 -8.805 0.343 -0.779 1.00 0.26 C ATOM 1155 CG2 ILE A 82 -8.754 -1.570 0.835 1.00 0.20 C ATOM 1156 CD1 ILE A 82 -8.062 1.157 -1.808 1.00 0.30 C ATOM 0 H ILE A 82 -5.444 0.111 -0.533 1.00 0.18 H new ATOM 0 HA ILE A 82 -7.473 1.016 1.364 1.00 0.17 H new ATOM 0 HB ILE A 82 -7.311 -1.185 -0.687 1.00 0.19 H new ATOM 0 HG12 ILE A 82 -9.581 -0.237 -1.279 1.00 0.26 H new ATOM 0 HG13 ILE A 82 -9.308 1.019 -0.088 1.00 0.26 H new ATOM 0 HG21 ILE A 82 -9.432 -2.109 0.174 1.00 0.20 H new ATOM 0 HG22 ILE A 82 -8.105 -2.281 1.347 1.00 0.20 H new ATOM 0 HG23 ILE A 82 -9.332 -1.012 1.571 1.00 0.20 H new ATOM 0 HD11 ILE A 82 -8.762 1.807 -2.333 1.00 0.30 H new ATOM 0 HD12 ILE A 82 -7.304 1.765 -1.313 1.00 0.30 H new ATOM 0 HD13 ILE A 82 -7.581 0.489 -2.523 1.00 0.30 H new ATOM 1168 N ASN A 83 -6.690 -0.365 3.252 1.00 0.18 N ATOM 1169 CA ASN A 83 -6.356 -1.195 4.403 1.00 0.21 C ATOM 1170 C ASN A 83 -4.850 -1.384 4.507 1.00 0.22 C ATOM 1171 O ASN A 83 -4.349 -2.505 4.579 1.00 0.29 O ATOM 1172 CB ASN A 83 -7.075 -2.548 4.302 1.00 0.23 C ATOM 1173 CG ASN A 83 -8.559 -2.426 4.582 1.00 0.28 C ATOM 1174 OD1 ASN A 83 -8.990 -1.552 5.335 1.00 0.34 O ATOM 1175 ND2 ASN A 83 -9.357 -3.291 3.976 1.00 0.29 N ATOM 0 H ASN A 83 -7.150 0.514 3.489 1.00 0.18 H new ATOM 0 HA ASN A 83 -6.693 -0.693 5.310 1.00 0.21 H new ATOM 0 HB2 ASN A 83 -6.927 -2.963 3.305 1.00 0.23 H new ATOM 0 HB3 ASN A 83 -6.629 -3.249 5.008 1.00 0.23 H new ATOM 0 HD21 ASN A 83 -10.365 -3.247 4.126 1.00 0.29 H new ATOM 0 HD22 ASN A 83 -8.964 -4.002 3.359 1.00 0.29 H new ATOM 1182 N CYS A 84 -4.135 -0.270 4.501 1.00 0.22 N ATOM 1183 CA CYS A 84 -2.683 -0.289 4.547 1.00 0.23 C ATOM 1184 C CYS A 84 -2.179 -0.261 5.984 1.00 0.25 C ATOM 1185 O CYS A 84 -2.232 0.769 6.655 1.00 0.33 O ATOM 1186 CB CYS A 84 -2.122 0.902 3.775 1.00 0.26 C ATOM 1187 SG CYS A 84 -2.704 1.003 2.058 1.00 0.81 S ATOM 0 H CYS A 84 -4.541 0.665 4.464 1.00 0.22 H new ATOM 0 HA CYS A 84 -2.340 -1.214 4.084 1.00 0.23 H new ATOM 0 HB2 CYS A 84 -2.393 1.821 4.295 1.00 0.26 H new ATOM 0 HB3 CYS A 84 -1.034 0.844 3.777 1.00 0.26 H new ATOM 1192 N THR A 85 -1.698 -1.401 6.449 1.00 0.25 N ATOM 1193 CA THR A 85 -1.148 -1.513 7.791 1.00 0.28 C ATOM 1194 C THR A 85 0.365 -1.303 7.764 1.00 0.24 C ATOM 1195 O THR A 85 1.063 -1.917 6.955 1.00 0.23 O ATOM 1196 CB THR A 85 -1.471 -2.895 8.394 1.00 0.36 C ATOM 1197 OG1 THR A 85 -2.889 -3.114 8.363 1.00 0.43 O ATOM 1198 CG2 THR A 85 -0.968 -3.004 9.825 1.00 0.44 C ATOM 0 H THR A 85 -1.677 -2.269 5.913 1.00 0.25 H new ATOM 0 HA THR A 85 -1.604 -0.742 8.412 1.00 0.28 H new ATOM 0 HB THR A 85 -0.965 -3.654 7.797 1.00 0.36 H new ATOM 0 HG1 THR A 85 -3.093 -3.993 8.745 1.00 0.43 H new ATOM 0 HG21 THR A 85 -1.211 -3.990 10.222 1.00 0.44 H new ATOM 0 HG22 THR A 85 0.113 -2.862 9.843 1.00 0.44 H new ATOM 0 HG23 THR A 85 -1.445 -2.239 10.437 1.00 0.44 H new ATOM 1206 N PRO A 86 0.887 -0.413 8.628 1.00 0.26 N ATOM 1207 CA PRO A 86 2.325 -0.131 8.710 1.00 0.28 C ATOM 1208 C PRO A 86 3.119 -1.379 9.073 1.00 0.33 C ATOM 1209 O PRO A 86 2.911 -1.979 10.129 1.00 0.39 O ATOM 1210 CB PRO A 86 2.425 0.925 9.818 1.00 0.37 C ATOM 1211 CG PRO A 86 1.059 1.510 9.903 1.00 0.35 C ATOM 1212 CD PRO A 86 0.125 0.383 9.604 1.00 0.29 C ATOM 0 HA PRO A 86 2.738 0.208 7.760 1.00 0.28 H new ATOM 0 HB2 PRO A 86 2.725 0.478 10.766 1.00 0.37 H new ATOM 0 HB3 PRO A 86 3.168 1.685 9.575 1.00 0.37 H new ATOM 0 HG2 PRO A 86 0.870 1.924 10.893 1.00 0.35 H new ATOM 0 HG3 PRO A 86 0.935 2.323 9.188 1.00 0.35 H new ATOM 0 HD2 PRO A 86 -0.115 -0.193 10.498 1.00 0.29 H new ATOM 0 HD3 PRO A 86 -0.819 0.737 9.190 1.00 0.29 H new ATOM 1220 N ILE A 87 4.018 -1.768 8.188 1.00 0.37 N ATOM 1221 CA ILE A 87 4.737 -3.011 8.326 1.00 0.47 C ATOM 1222 C ILE A 87 6.117 -2.805 8.934 1.00 0.57 C ATOM 1223 O ILE A 87 6.765 -1.783 8.700 1.00 0.56 O ATOM 1224 CB ILE A 87 4.888 -3.706 6.964 1.00 0.47 C ATOM 1225 CG1 ILE A 87 5.320 -2.703 5.892 1.00 0.41 C ATOM 1226 CG2 ILE A 87 3.586 -4.384 6.581 1.00 0.53 C ATOM 1227 CD1 ILE A 87 5.686 -3.338 4.569 1.00 0.49 C ATOM 0 H ILE A 87 4.266 -1.230 7.358 1.00 0.37 H new ATOM 0 HA ILE A 87 4.153 -3.639 8.998 1.00 0.47 H new ATOM 0 HB ILE A 87 5.664 -4.467 7.041 1.00 0.47 H new ATOM 0 HG12 ILE A 87 4.512 -1.989 5.730 1.00 0.41 H new ATOM 0 HG13 ILE A 87 6.176 -2.138 6.261 1.00 0.41 H new ATOM 0 HG21 ILE A 87 3.702 -4.874 5.614 1.00 0.53 H new ATOM 0 HG22 ILE A 87 3.327 -5.127 7.336 1.00 0.53 H new ATOM 0 HG23 ILE A 87 2.793 -3.639 6.517 1.00 0.53 H new ATOM 0 HD11 ILE A 87 5.981 -2.562 3.862 1.00 0.49 H new ATOM 0 HD12 ILE A 87 6.515 -4.030 4.715 1.00 0.49 H new ATOM 0 HD13 ILE A 87 4.826 -3.880 4.175 1.00 0.49 H new ATOM 1239 N PRO A 88 6.572 -3.775 9.739 1.00 0.73 N ATOM 1240 CA PRO A 88 7.909 -3.771 10.321 1.00 0.86 C ATOM 1241 C PRO A 88 8.969 -4.101 9.284 1.00 0.92 C ATOM 1242 O PRO A 88 8.712 -4.828 8.322 1.00 0.96 O ATOM 1243 CB PRO A 88 7.850 -4.885 11.376 1.00 1.05 C ATOM 1244 CG PRO A 88 6.409 -5.211 11.518 1.00 1.04 C ATOM 1245 CD PRO A 88 5.829 -4.962 10.166 1.00 0.85 C ATOM 0 HA PRO A 88 8.175 -2.795 10.728 1.00 0.86 H new ATOM 0 HB2 PRO A 88 8.422 -5.757 11.060 1.00 1.05 H new ATOM 0 HB3 PRO A 88 8.274 -4.553 12.324 1.00 1.05 H new ATOM 0 HG2 PRO A 88 6.266 -6.247 11.826 1.00 1.04 H new ATOM 0 HG3 PRO A 88 5.934 -4.586 12.274 1.00 1.04 H new ATOM 0 HD2 PRO A 88 5.983 -5.805 9.493 1.00 0.85 H new ATOM 0 HD3 PRO A 88 4.755 -4.780 10.208 1.00 0.85 H new ATOM 1253 N LEU A 89 10.164 -3.587 9.501 1.00 1.01 N ATOM 1254 CA LEU A 89 11.275 -3.812 8.589 1.00 1.13 C ATOM 1255 C LEU A 89 12.046 -5.056 9.001 1.00 1.31 C ATOM 1256 O LEU A 89 13.198 -5.252 8.607 1.00 1.45 O ATOM 1257 CB LEU A 89 12.213 -2.606 8.598 1.00 1.16 C ATOM 1258 CG LEU A 89 11.553 -1.260 8.287 1.00 1.10 C ATOM 1259 CD1 LEU A 89 12.577 -0.138 8.346 1.00 1.23 C ATOM 1260 CD2 LEU A 89 10.878 -1.295 6.925 1.00 1.13 C ATOM 0 H LEU A 89 10.394 -3.006 10.307 1.00 1.01 H new ATOM 0 HA LEU A 89 10.877 -3.952 7.584 1.00 1.13 H new ATOM 0 HB2 LEU A 89 12.686 -2.542 9.578 1.00 1.16 H new ATOM 0 HB3 LEU A 89 13.007 -2.779 7.872 1.00 1.16 H new ATOM 0 HG LEU A 89 10.790 -1.071 9.042 1.00 1.10 H new ATOM 0 HD11 LEU A 89 12.090 0.811 8.122 1.00 1.23 H new ATOM 0 HD12 LEU A 89 13.013 -0.096 9.344 1.00 1.23 H new ATOM 0 HD13 LEU A 89 13.363 -0.324 7.614 1.00 1.23 H new ATOM 0 HD21 LEU A 89 10.415 -0.329 6.723 1.00 1.13 H new ATOM 0 HD22 LEU A 89 11.621 -1.509 6.156 1.00 1.13 H new ATOM 0 HD23 LEU A 89 10.114 -2.072 6.918 1.00 1.13 H new ATOM 1272 N ILE A 90 11.398 -5.892 9.789 1.00 1.37 N ATOM 1273 CA ILE A 90 12.045 -7.043 10.378 1.00 1.60 C ATOM 1274 C ILE A 90 11.317 -8.330 10.002 1.00 1.73 C ATOM 1275 O ILE A 90 10.195 -8.558 10.495 1.00 2.31 O ATOM 1276 CB ILE A 90 12.141 -6.893 11.913 1.00 1.67 C ATOM 1277 CG1 ILE A 90 10.776 -6.533 12.516 1.00 1.60 C ATOM 1278 CG2 ILE A 90 13.178 -5.832 12.264 1.00 1.68 C ATOM 1279 CD1 ILE A 90 10.781 -6.425 14.026 1.00 1.78 C ATOM 1280 OXT ILE A 90 11.871 -9.108 9.204 1.00 1.86 O ATOM 0 H ILE A 90 10.414 -5.791 10.037 1.00 1.37 H new ATOM 0 HA ILE A 90 13.058 -7.101 9.979 1.00 1.60 H new ATOM 0 HB ILE A 90 12.452 -7.848 12.337 1.00 1.67 H new ATOM 0 HG12 ILE A 90 10.443 -5.584 12.095 1.00 1.60 H new ATOM 0 HG13 ILE A 90 10.048 -7.287 12.218 1.00 1.60 H new ATOM 0 HG21 ILE A 90 13.242 -5.730 13.347 1.00 1.68 H new ATOM 0 HG22 ILE A 90 14.150 -6.129 11.869 1.00 1.68 H new ATOM 0 HG23 ILE A 90 12.885 -4.878 11.826 1.00 1.68 H new ATOM 0 HD11 ILE A 90 9.781 -6.168 14.376 1.00 1.78 H new ATOM 0 HD12 ILE A 90 11.082 -7.379 14.458 1.00 1.78 H new ATOM 0 HD13 ILE A 90 11.483 -5.650 14.333 1.00 1.78 H new TER 1292 ILE A 90