USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 966 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 66 GLN : amide:sc= -0.92 K(o=-1.8,f=-6!) USER MOD Set 1.2: A 79 SER OG : rot -107:sc= -0.833 USER MOD Set 2.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 119 LYS NZ :NH3+ -144:sc= 0.0579 (180deg=0) USER MOD Set 3.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -177:sc= 0 (180deg=-0.00705) USER MOD Single : A 2 SER OG : rot 48:sc= 0.364 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.39) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0567 K(o=-0.057,f=-0.84) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0438 USER MOD Single : A 38 SER OG : rot 36:sc= 0.294 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0413 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0213 X(o=-0.021,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0981 X(o=-0.098,f=0.16) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.596 USER MOD Single : A 60 CYS SG : rot 21:sc= -0.793 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 90:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -0.008 F(o=-0.67,f=-0.008) USER MOD Single : A 77 GLN : amide:sc= -0.696 K(o=-0.7,f=-3.5!) USER MOD Single : A 82 ASN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.03) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 93 THR OG1 : rot 70:sc= 1.01 USER MOD Single : A 96 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -4.27 K(o=-4.3,f=-5.6!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -138:sc= -0.297 (180deg=-1.8) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 47:sc= 0.652 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= -0.0117 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.509 34.319 -11.589 1.00 0.00 N ATOM 2 CA GLY A 1 3.173 35.117 -12.754 1.00 0.00 C ATOM 3 C GLY A 1 1.708 35.013 -13.125 1.00 0.00 C ATOM 4 O GLY A 1 1.062 36.019 -13.420 1.00 0.00 O ATOM 0 H1 GLY A 1 4.510 34.464 -11.346 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.913 34.607 -10.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.346 33.313 -11.798 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.422 36.160 -12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.782 34.795 -13.599 1.00 0.00 H new ATOM 8 N SER A 2 1.181 33.793 -13.114 1.00 0.00 N ATOM 9 CA SER A 2 -0.217 33.560 -13.458 1.00 0.00 C ATOM 10 C SER A 2 -0.893 32.675 -12.415 1.00 0.00 C ATOM 11 O SER A 2 -0.949 31.455 -12.562 1.00 0.00 O ATOM 12 CB SER A 2 -0.323 32.911 -14.839 1.00 0.00 C ATOM 13 OG SER A 2 0.491 31.754 -14.923 1.00 0.00 O ATOM 0 H SER A 2 1.701 32.950 -12.870 1.00 0.00 H new ATOM 0 HA SER A 2 -0.726 34.524 -13.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.361 32.645 -15.040 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.023 33.627 -15.605 1.00 0.00 H new ATOM 0 HG SER A 2 0.339 31.190 -14.136 1.00 0.00 H new ATOM 19 N SER A 3 -1.406 33.301 -11.360 1.00 0.00 N ATOM 20 CA SER A 3 -2.075 32.572 -10.289 1.00 0.00 C ATOM 21 C SER A 3 -2.891 33.519 -9.415 1.00 0.00 C ATOM 22 O SER A 3 -2.453 34.624 -9.101 1.00 0.00 O ATOM 23 CB SER A 3 -1.050 31.826 -9.433 1.00 0.00 C ATOM 24 OG SER A 3 -1.677 30.843 -8.628 1.00 0.00 O ATOM 0 H SER A 3 -1.371 34.311 -11.224 1.00 0.00 H new ATOM 0 HA SER A 3 -2.753 31.849 -10.743 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.308 31.354 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.517 32.534 -8.799 1.00 0.00 H new ATOM 0 HG SER A 3 -1.000 30.379 -8.092 1.00 0.00 H new ATOM 30 N GLY A 4 -4.083 33.075 -9.026 1.00 0.00 N ATOM 31 CA GLY A 4 -4.943 33.894 -8.191 1.00 0.00 C ATOM 32 C GLY A 4 -5.022 33.386 -6.766 1.00 0.00 C ATOM 33 O GLY A 4 -6.060 32.883 -6.336 1.00 0.00 O ATOM 0 H GLY A 4 -4.468 32.164 -9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.572 34.919 -8.188 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.944 33.919 -8.621 1.00 0.00 H new ATOM 37 N SER A 5 -3.923 33.516 -6.031 1.00 0.00 N ATOM 38 CA SER A 5 -3.870 33.061 -4.646 1.00 0.00 C ATOM 39 C SER A 5 -3.191 34.100 -3.758 1.00 0.00 C ATOM 40 O SER A 5 -2.223 34.742 -4.165 1.00 0.00 O ATOM 41 CB SER A 5 -3.125 31.728 -4.553 1.00 0.00 C ATOM 42 OG SER A 5 -1.815 31.838 -5.081 1.00 0.00 O ATOM 0 H SER A 5 -3.056 33.933 -6.371 1.00 0.00 H new ATOM 0 HA SER A 5 -4.893 32.922 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.075 31.407 -3.512 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.676 30.961 -5.097 1.00 0.00 H new ATOM 0 HG SER A 5 -1.359 30.973 -5.008 1.00 0.00 H new ATOM 48 N SER A 6 -3.706 34.258 -2.543 1.00 0.00 N ATOM 49 CA SER A 6 -3.152 35.220 -1.598 1.00 0.00 C ATOM 50 C SER A 6 -2.854 34.555 -0.257 1.00 0.00 C ATOM 51 O SER A 6 -3.720 34.470 0.612 1.00 0.00 O ATOM 52 CB SER A 6 -4.123 36.386 -1.397 1.00 0.00 C ATOM 53 OG SER A 6 -4.031 37.315 -2.463 1.00 0.00 O ATOM 0 H SER A 6 -4.506 33.732 -2.190 1.00 0.00 H new ATOM 0 HA SER A 6 -2.218 35.601 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.143 36.007 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.905 36.887 -0.454 1.00 0.00 H new ATOM 0 HG SER A 6 -4.662 38.049 -2.312 1.00 0.00 H new ATOM 59 N GLY A 7 -1.621 34.085 -0.098 1.00 0.00 N ATOM 60 CA GLY A 7 -1.229 33.433 1.138 1.00 0.00 C ATOM 61 C GLY A 7 -0.610 32.070 0.904 1.00 0.00 C ATOM 62 O GLY A 7 -0.501 31.619 -0.236 1.00 0.00 O ATOM 0 H GLY A 7 -0.886 34.144 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.517 34.065 1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.102 33.326 1.782 1.00 0.00 H new ATOM 66 N GLU A 8 -0.202 31.413 1.985 1.00 0.00 N ATOM 67 CA GLU A 8 0.412 30.093 1.890 1.00 0.00 C ATOM 68 C GLU A 8 -0.238 29.119 2.869 1.00 0.00 C ATOM 69 O GLU A 8 -0.282 29.370 4.073 1.00 0.00 O ATOM 70 CB GLU A 8 1.914 30.185 2.166 1.00 0.00 C ATOM 71 CG GLU A 8 2.645 28.864 1.995 1.00 0.00 C ATOM 72 CD GLU A 8 4.133 29.047 1.765 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.714 29.982 2.353 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.716 28.253 0.996 1.00 0.00 O ATOM 0 H GLU A 8 -0.285 31.772 2.936 1.00 0.00 H new ATOM 0 HA GLU A 8 0.258 29.720 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.354 30.924 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.067 30.546 3.183 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.491 28.250 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.215 28.321 1.153 1.00 0.00 H new ATOM 81 N GLU A 9 -0.742 28.008 2.342 1.00 0.00 N ATOM 82 CA GLU A 9 -1.391 26.997 3.168 1.00 0.00 C ATOM 83 C GLU A 9 -0.409 25.892 3.547 1.00 0.00 C ATOM 84 O GLU A 9 0.146 25.217 2.681 1.00 0.00 O ATOM 85 CB GLU A 9 -2.591 26.398 2.432 1.00 0.00 C ATOM 86 CG GLU A 9 -3.564 25.670 3.345 1.00 0.00 C ATOM 87 CD GLU A 9 -3.209 24.207 3.527 1.00 0.00 C ATOM 88 OE1 GLU A 9 -2.019 23.861 3.377 1.00 0.00 O ATOM 89 OE2 GLU A 9 -4.123 23.408 3.820 1.00 0.00 O ATOM 0 H GLU A 9 -0.713 27.785 1.347 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.739 27.479 4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -3.122 27.195 1.911 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.231 25.705 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.579 26.160 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.570 25.747 2.933 1.00 0.00 H new ATOM 96 N ASP A 10 -0.201 25.714 4.847 1.00 0.00 N ATOM 97 CA ASP A 10 0.713 24.691 5.342 1.00 0.00 C ATOM 98 C ASP A 10 0.206 23.295 4.995 1.00 0.00 C ATOM 99 O ASP A 10 -0.638 22.739 5.698 1.00 0.00 O ATOM 100 CB ASP A 10 0.888 24.822 6.856 1.00 0.00 C ATOM 101 CG ASP A 10 2.171 24.183 7.348 1.00 0.00 C ATOM 102 OD1 ASP A 10 2.158 22.965 7.627 1.00 0.00 O ATOM 103 OD2 ASP A 10 3.188 24.899 7.456 1.00 0.00 O ATOM 0 H ASP A 10 -0.653 26.265 5.577 1.00 0.00 H new ATOM 0 HA ASP A 10 1.679 24.838 4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.883 25.877 7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.039 24.359 7.358 1.00 0.00 H new ATOM 108 N TRP A 11 0.724 22.736 3.908 1.00 0.00 N ATOM 109 CA TRP A 11 0.323 21.405 3.467 1.00 0.00 C ATOM 110 C TRP A 11 1.032 20.326 4.277 1.00 0.00 C ATOM 111 O TRP A 11 2.261 20.246 4.282 1.00 0.00 O ATOM 112 CB TRP A 11 0.626 21.225 1.979 1.00 0.00 C ATOM 113 CG TRP A 11 -0.218 20.175 1.323 1.00 0.00 C ATOM 114 CD1 TRP A 11 -0.987 19.234 1.947 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.376 19.956 -0.083 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.614 18.444 1.013 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.256 18.868 -0.239 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.138 20.576 -1.225 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.630 18.387 -1.491 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.234 20.098 -2.467 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.111 19.012 -2.592 1.00 0.00 C ATOM 0 H TRP A 11 1.423 23.184 3.315 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.751 21.305 3.626 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.474 22.175 1.467 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.677 20.963 1.859 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.088 19.127 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.243 17.668 1.219 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.814 21.414 -1.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.306 17.550 -1.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.158 20.569 -3.356 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.383 18.662 -3.577 1.00 0.00 H new ATOM 132 N VAL A 12 0.251 19.497 4.963 1.00 0.00 N ATOM 133 CA VAL A 12 0.805 18.422 5.776 1.00 0.00 C ATOM 134 C VAL A 12 1.382 17.313 4.902 1.00 0.00 C ATOM 135 O VAL A 12 2.473 16.806 5.164 1.00 0.00 O ATOM 136 CB VAL A 12 -0.259 17.820 6.713 1.00 0.00 C ATOM 137 CG1 VAL A 12 0.308 16.630 7.472 1.00 0.00 C ATOM 138 CG2 VAL A 12 -0.780 18.878 7.675 1.00 0.00 C ATOM 0 H VAL A 12 -0.768 19.550 4.971 1.00 0.00 H new ATOM 0 HA VAL A 12 1.602 18.859 6.377 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.094 17.468 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.459 16.218 8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.628 15.866 6.764 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.162 16.952 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.531 18.436 8.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.045 19.261 8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.228 19.695 7.109 1.00 0.00 H new ATOM 148 N LEU A 13 0.642 16.942 3.863 1.00 0.00 N ATOM 149 CA LEU A 13 1.080 15.893 2.949 1.00 0.00 C ATOM 150 C LEU A 13 2.595 15.919 2.775 1.00 0.00 C ATOM 151 O LEU A 13 3.296 14.955 3.084 1.00 0.00 O ATOM 152 CB LEU A 13 0.397 16.056 1.590 1.00 0.00 C ATOM 153 CG LEU A 13 1.220 15.641 0.370 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.529 14.152 0.416 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.487 15.996 -0.915 1.00 0.00 C ATOM 0 H LEU A 13 -0.263 17.352 3.633 1.00 0.00 H new ATOM 0 HA LEU A 13 0.799 14.931 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.524 15.473 1.597 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.112 17.102 1.472 1.00 0.00 H new ATOM 0 HG LEU A 13 2.163 16.188 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.115 13.875 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.096 13.926 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.597 13.587 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.088 15.693 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.471 15.477 -0.942 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.318 17.072 -0.952 1.00 0.00 H new ATOM 167 N PRO A 14 3.114 17.048 2.272 1.00 0.00 N ATOM 168 CA PRO A 14 4.552 17.228 2.048 1.00 0.00 C ATOM 169 C PRO A 14 5.332 17.336 3.354 1.00 0.00 C ATOM 170 O PRO A 14 6.504 16.967 3.420 1.00 0.00 O ATOM 171 CB PRO A 14 4.628 18.544 1.270 1.00 0.00 C ATOM 172 CG PRO A 14 3.393 19.283 1.654 1.00 0.00 C ATOM 173 CD PRO A 14 2.337 18.237 1.882 1.00 0.00 C ATOM 0 HA PRO A 14 4.992 16.380 1.523 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.524 19.107 1.531 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.665 18.367 0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.557 19.875 2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.093 19.976 0.868 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.638 18.535 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.750 18.056 0.982 1.00 0.00 H new ATOM 181 N SER A 15 4.674 17.844 4.391 1.00 0.00 N ATOM 182 CA SER A 15 5.307 18.003 5.695 1.00 0.00 C ATOM 183 C SER A 15 5.691 16.648 6.282 1.00 0.00 C ATOM 184 O SER A 15 6.768 16.492 6.855 1.00 0.00 O ATOM 185 CB SER A 15 4.370 18.740 6.654 1.00 0.00 C ATOM 186 OG SER A 15 5.102 19.427 7.654 1.00 0.00 O ATOM 0 H SER A 15 3.703 18.153 4.354 1.00 0.00 H new ATOM 0 HA SER A 15 6.215 18.592 5.561 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.757 19.448 6.096 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.689 18.028 7.121 1.00 0.00 H new ATOM 0 HG SER A 15 4.481 19.891 8.253 1.00 0.00 H new ATOM 192 N GLU A 16 4.801 15.672 6.133 1.00 0.00 N ATOM 193 CA GLU A 16 5.046 14.331 6.649 1.00 0.00 C ATOM 194 C GLU A 16 6.081 13.601 5.798 1.00 0.00 C ATOM 195 O GLU A 16 7.065 13.071 6.315 1.00 0.00 O ATOM 196 CB GLU A 16 3.743 13.529 6.686 1.00 0.00 C ATOM 197 CG GLU A 16 3.908 12.126 7.245 1.00 0.00 C ATOM 198 CD GLU A 16 2.597 11.528 7.718 1.00 0.00 C ATOM 199 OE1 GLU A 16 1.546 11.862 7.131 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.622 10.727 8.676 1.00 0.00 O ATOM 0 H GLU A 16 3.905 15.785 5.660 1.00 0.00 H new ATOM 0 HA GLU A 16 5.436 14.425 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.012 14.068 7.289 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.338 13.463 5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.341 11.483 6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.613 12.151 8.076 1.00 0.00 H new ATOM 207 N VAL A 17 5.851 13.577 4.489 1.00 0.00 N ATOM 208 CA VAL A 17 6.763 12.913 3.565 1.00 0.00 C ATOM 209 C VAL A 17 8.213 13.084 4.005 1.00 0.00 C ATOM 210 O VAL A 17 8.975 12.119 4.052 1.00 0.00 O ATOM 211 CB VAL A 17 6.606 13.458 2.133 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.620 12.813 1.201 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.188 13.231 1.630 1.00 0.00 C ATOM 0 H VAL A 17 5.041 14.010 4.045 1.00 0.00 H new ATOM 0 HA VAL A 17 6.506 11.854 3.574 1.00 0.00 H new ATOM 0 HB VAL A 17 6.795 14.531 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.493 13.211 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.628 13.031 1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.466 11.734 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.094 13.622 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.969 12.163 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.483 13.745 2.284 1.00 0.00 H new ATOM 223 N GLU A 18 8.586 14.319 4.328 1.00 0.00 N ATOM 224 CA GLU A 18 9.945 14.615 4.765 1.00 0.00 C ATOM 225 C GLU A 18 10.404 13.622 5.829 1.00 0.00 C ATOM 226 O GLU A 18 11.499 13.067 5.744 1.00 0.00 O ATOM 227 CB GLU A 18 10.028 16.042 5.313 1.00 0.00 C ATOM 228 CG GLU A 18 9.722 17.111 4.277 1.00 0.00 C ATOM 229 CD GLU A 18 10.455 16.883 2.969 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.658 16.551 3.014 1.00 0.00 O ATOM 231 OE2 GLU A 18 9.826 17.036 1.902 1.00 0.00 O ATOM 0 H GLU A 18 7.967 15.129 4.295 1.00 0.00 H new ATOM 0 HA GLU A 18 10.604 14.525 3.902 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.331 16.144 6.145 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.028 16.211 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.649 17.132 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.995 18.088 4.677 1.00 0.00 H new ATOM 238 N VAL A 19 9.558 13.404 6.830 1.00 0.00 N ATOM 239 CA VAL A 19 9.874 12.478 7.911 1.00 0.00 C ATOM 240 C VAL A 19 9.853 11.035 7.422 1.00 0.00 C ATOM 241 O VAL A 19 10.716 10.233 7.781 1.00 0.00 O ATOM 242 CB VAL A 19 8.888 12.626 9.084 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.196 11.609 10.173 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.929 14.042 9.639 1.00 0.00 C ATOM 0 H VAL A 19 8.648 13.856 6.915 1.00 0.00 H new ATOM 0 HA VAL A 19 10.877 12.727 8.257 1.00 0.00 H new ATOM 0 HB VAL A 19 7.881 12.434 8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.489 11.729 10.994 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.111 10.602 9.765 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.210 11.766 10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.226 14.129 10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.936 14.265 9.993 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.655 14.748 8.855 1.00 0.00 H new ATOM 254 N LEU A 20 8.861 10.709 6.600 1.00 0.00 N ATOM 255 CA LEU A 20 8.726 9.361 6.060 1.00 0.00 C ATOM 256 C LEU A 20 10.005 8.927 5.352 1.00 0.00 C ATOM 257 O LEU A 20 10.643 7.951 5.745 1.00 0.00 O ATOM 258 CB LEU A 20 7.545 9.295 5.090 1.00 0.00 C ATOM 259 CG LEU A 20 6.163 9.543 5.696 1.00 0.00 C ATOM 260 CD1 LEU A 20 5.101 9.577 4.608 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.835 8.477 6.731 1.00 0.00 C ATOM 0 H LEU A 20 8.138 11.360 6.293 1.00 0.00 H new ATOM 0 HA LEU A 20 8.544 8.680 6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.709 10.027 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.542 8.312 4.619 1.00 0.00 H new ATOM 0 HG LEU A 20 6.175 10.513 6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.124 9.754 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.327 10.378 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.090 8.623 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.848 8.670 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.842 7.495 6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.579 8.501 7.527 1.00 0.00 H new ATOM 273 N GLU A 21 10.375 9.661 4.307 1.00 0.00 N ATOM 274 CA GLU A 21 11.580 9.353 3.546 1.00 0.00 C ATOM 275 C GLU A 21 12.719 8.939 4.473 1.00 0.00 C ATOM 276 O GLU A 21 13.411 7.953 4.222 1.00 0.00 O ATOM 277 CB GLU A 21 12.003 10.560 2.707 1.00 0.00 C ATOM 278 CG GLU A 21 11.319 10.630 1.352 1.00 0.00 C ATOM 279 CD GLU A 21 12.134 11.391 0.325 1.00 0.00 C ATOM 280 OE1 GLU A 21 13.379 11.377 0.428 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.529 12.001 -0.581 1.00 0.00 O ATOM 0 H GLU A 21 9.858 10.472 3.968 1.00 0.00 H new ATOM 0 HA GLU A 21 11.355 8.519 2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.785 11.472 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.082 10.528 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.137 9.619 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.346 11.108 1.465 1.00 0.00 H new ATOM 288 N SER A 22 12.907 9.702 5.545 1.00 0.00 N ATOM 289 CA SER A 22 13.965 9.419 6.508 1.00 0.00 C ATOM 290 C SER A 22 13.965 7.943 6.896 1.00 0.00 C ATOM 291 O SER A 22 15.019 7.311 6.972 1.00 0.00 O ATOM 292 CB SER A 22 13.792 10.286 7.757 1.00 0.00 C ATOM 293 OG SER A 22 15.021 10.437 8.447 1.00 0.00 O ATOM 0 H SER A 22 12.341 10.520 5.769 1.00 0.00 H new ATOM 0 HA SER A 22 14.921 9.654 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.408 11.266 7.473 1.00 0.00 H new ATOM 0 HB3 SER A 22 13.053 9.833 8.418 1.00 0.00 H new ATOM 0 HG SER A 22 14.884 10.996 9.240 1.00 0.00 H new ATOM 299 N ILE A 23 12.777 7.402 7.141 1.00 0.00 N ATOM 300 CA ILE A 23 12.639 6.001 7.520 1.00 0.00 C ATOM 301 C ILE A 23 12.498 5.111 6.290 1.00 0.00 C ATOM 302 O ILE A 23 13.277 4.178 6.094 1.00 0.00 O ATOM 303 CB ILE A 23 11.423 5.784 8.439 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.568 6.614 9.717 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.270 4.308 8.775 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.273 6.774 10.483 1.00 0.00 C ATOM 0 H ILE A 23 11.896 7.912 7.084 1.00 0.00 H new ATOM 0 HA ILE A 23 13.546 5.729 8.061 1.00 0.00 H new ATOM 0 HB ILE A 23 10.526 6.112 7.914 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.308 6.143 10.364 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.952 7.601 9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.406 4.171 9.425 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.127 3.739 7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.167 3.956 9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.450 7.373 11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.537 7.272 9.853 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.898 5.792 10.773 1.00 0.00 H new ATOM 318 N TYR A 24 11.500 5.405 5.464 1.00 0.00 N ATOM 319 CA TYR A 24 11.256 4.631 4.253 1.00 0.00 C ATOM 320 C TYR A 24 12.046 5.196 3.077 1.00 0.00 C ATOM 321 O TYR A 24 11.536 5.289 1.959 1.00 0.00 O ATOM 322 CB TYR A 24 9.763 4.620 3.922 1.00 0.00 C ATOM 323 CG TYR A 24 8.884 4.259 5.098 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.092 3.086 5.813 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.846 5.093 5.496 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.291 2.753 6.887 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.041 4.768 6.570 1.00 0.00 C ATOM 328 CZ TYR A 24 7.267 3.597 7.263 1.00 0.00 C ATOM 329 OH TYR A 24 6.468 3.269 8.334 1.00 0.00 O ATOM 0 H TYR A 24 10.847 6.174 5.611 1.00 0.00 H new ATOM 0 HA TYR A 24 11.589 3.609 4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.474 5.604 3.552 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.584 3.911 3.114 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.894 2.423 5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.666 6.011 4.956 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.465 1.836 7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.238 5.427 6.866 1.00 0.00 H new ATOM 0 HH TYR A 24 5.796 3.969 8.467 1.00 0.00 H new ATOM 339 N LEU A 25 13.293 5.573 3.336 1.00 0.00 N ATOM 340 CA LEU A 25 14.155 6.129 2.300 1.00 0.00 C ATOM 341 C LEU A 25 13.892 5.459 0.955 1.00 0.00 C ATOM 342 O LEU A 25 13.664 6.132 -0.051 1.00 0.00 O ATOM 343 CB LEU A 25 15.626 5.960 2.687 1.00 0.00 C ATOM 344 CG LEU A 25 16.178 6.977 3.686 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.575 6.580 4.135 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.188 8.372 3.077 1.00 0.00 C ATOM 0 H LEU A 25 13.730 5.504 4.255 1.00 0.00 H new ATOM 0 HA LEU A 25 13.930 7.191 2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.759 4.962 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.228 6.009 1.779 1.00 0.00 H new ATOM 0 HG LEU A 25 15.527 6.988 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.952 7.316 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.539 5.600 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.237 6.539 3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.584 9.083 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.815 8.375 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.172 8.658 2.806 1.00 0.00 H new ATOM 358 N ASP A 26 13.922 4.131 0.945 1.00 0.00 N ATOM 359 CA ASP A 26 13.683 3.370 -0.276 1.00 0.00 C ATOM 360 C ASP A 26 12.368 2.602 -0.189 1.00 0.00 C ATOM 361 O ASP A 26 11.546 2.655 -1.103 1.00 0.00 O ATOM 362 CB ASP A 26 14.838 2.401 -0.532 1.00 0.00 C ATOM 363 CG ASP A 26 15.984 3.051 -1.282 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.913 3.125 -2.527 1.00 0.00 O ATOM 365 OD2 ASP A 26 16.952 3.487 -0.624 1.00 0.00 O ATOM 0 H ASP A 26 14.109 3.559 1.769 1.00 0.00 H new ATOM 0 HA ASP A 26 13.618 4.073 -1.106 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.203 2.016 0.420 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.472 1.547 -1.102 1.00 0.00 H new ATOM 370 N GLU A 27 12.178 1.888 0.917 1.00 0.00 N ATOM 371 CA GLU A 27 10.963 1.108 1.121 1.00 0.00 C ATOM 372 C GLU A 27 9.757 1.804 0.498 1.00 0.00 C ATOM 373 O GLU A 27 8.917 1.166 -0.138 1.00 0.00 O ATOM 374 CB GLU A 27 10.721 0.883 2.615 1.00 0.00 C ATOM 375 CG GLU A 27 11.841 0.125 3.307 1.00 0.00 C ATOM 376 CD GLU A 27 11.398 -0.511 4.610 1.00 0.00 C ATOM 377 OE1 GLU A 27 11.377 0.195 5.639 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.071 -1.717 4.600 1.00 0.00 O ATOM 0 H GLU A 27 12.849 1.834 1.684 1.00 0.00 H new ATOM 0 HA GLU A 27 11.095 0.143 0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.592 1.849 3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.788 0.334 2.744 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.217 -0.650 2.639 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.669 0.807 3.503 1.00 0.00 H new ATOM 385 N LEU A 28 9.678 3.117 0.685 1.00 0.00 N ATOM 386 CA LEU A 28 8.575 3.902 0.142 1.00 0.00 C ATOM 387 C LEU A 28 9.060 4.826 -0.971 1.00 0.00 C ATOM 388 O LEU A 28 10.203 5.282 -0.957 1.00 0.00 O ATOM 389 CB LEU A 28 7.914 4.724 1.251 1.00 0.00 C ATOM 390 CG LEU A 28 6.856 5.732 0.799 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.830 5.957 1.898 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.509 7.047 0.399 1.00 0.00 C ATOM 0 H LEU A 28 10.365 3.660 1.208 1.00 0.00 H new ATOM 0 HA LEU A 28 7.842 3.212 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.453 4.036 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.693 5.262 1.790 1.00 0.00 H new ATOM 0 HG LEU A 28 6.342 5.325 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.085 6.677 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.340 5.013 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.328 6.342 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.741 7.752 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.049 7.459 1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.205 6.873 -0.422 1.00 0.00 H new ATOM 404 N GLN A 29 8.182 5.097 -1.931 1.00 0.00 N ATOM 405 CA GLN A 29 8.521 5.968 -3.051 1.00 0.00 C ATOM 406 C GLN A 29 7.615 7.194 -3.081 1.00 0.00 C ATOM 407 O GLN A 29 6.448 7.126 -2.694 1.00 0.00 O ATOM 408 CB GLN A 29 8.409 5.203 -4.371 1.00 0.00 C ATOM 409 CG GLN A 29 9.612 4.324 -4.669 1.00 0.00 C ATOM 410 CD GLN A 29 10.917 5.097 -4.659 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.046 6.127 -5.320 1.00 0.00 O ATOM 412 NE2 GLN A 29 11.892 4.602 -3.905 1.00 0.00 N ATOM 0 H GLN A 29 7.232 4.727 -1.956 1.00 0.00 H new ATOM 0 HA GLN A 29 9.550 6.303 -2.920 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.513 4.582 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.280 5.916 -5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.663 3.523 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.481 3.853 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.740 3.745 -3.373 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.792 5.079 -3.858 1.00 0.00 H new ATOM 421 N VAL A 30 8.160 8.315 -3.543 1.00 0.00 N ATOM 422 CA VAL A 30 7.400 9.557 -3.624 1.00 0.00 C ATOM 423 C VAL A 30 7.512 10.180 -5.011 1.00 0.00 C ATOM 424 O VAL A 30 8.545 10.066 -5.672 1.00 0.00 O ATOM 425 CB VAL A 30 7.880 10.578 -2.575 1.00 0.00 C ATOM 426 CG1 VAL A 30 7.098 11.877 -2.697 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.754 10.000 -1.173 1.00 0.00 C ATOM 0 H VAL A 30 9.124 8.389 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 30 6.359 9.304 -3.425 1.00 0.00 H new ATOM 0 HB VAL A 30 8.932 10.796 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.451 12.586 -1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.244 12.298 -3.692 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.038 11.680 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.097 10.734 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.711 9.752 -0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.363 9.099 -1.095 1.00 0.00 H new ATOM 437 N ILE A 31 6.443 10.839 -5.445 1.00 0.00 N ATOM 438 CA ILE A 31 6.422 11.481 -6.753 1.00 0.00 C ATOM 439 C ILE A 31 6.215 12.986 -6.624 1.00 0.00 C ATOM 440 O ILE A 31 5.095 13.455 -6.414 1.00 0.00 O ATOM 441 CB ILE A 31 5.314 10.897 -7.650 1.00 0.00 C ATOM 442 CG1 ILE A 31 5.550 9.403 -7.882 1.00 0.00 C ATOM 443 CG2 ILE A 31 5.257 11.642 -8.975 1.00 0.00 C ATOM 444 CD1 ILE A 31 6.961 9.075 -8.315 1.00 0.00 C ATOM 0 H ILE A 31 5.581 10.942 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 31 7.391 11.288 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 31 4.356 11.020 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.325 8.861 -6.964 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.853 9.047 -8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.469 11.218 -9.597 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.046 12.696 -8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.215 11.547 -9.487 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.056 7.999 -8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.183 9.589 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.662 9.400 -7.547 1.00 0.00 H new ATOM 456 N LYS A 32 7.301 13.741 -6.751 1.00 0.00 N ATOM 457 CA LYS A 32 7.240 15.194 -6.651 1.00 0.00 C ATOM 458 C LYS A 32 6.442 15.786 -7.808 1.00 0.00 C ATOM 459 O LYS A 32 6.831 15.665 -8.969 1.00 0.00 O ATOM 460 CB LYS A 32 8.652 15.785 -6.636 1.00 0.00 C ATOM 461 CG LYS A 32 9.459 15.401 -5.408 1.00 0.00 C ATOM 462 CD LYS A 32 8.937 16.092 -4.160 1.00 0.00 C ATOM 463 CE LYS A 32 9.241 15.285 -2.907 1.00 0.00 C ATOM 464 NZ LYS A 32 10.612 15.553 -2.393 1.00 0.00 N ATOM 0 H LYS A 32 8.235 13.370 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 32 6.737 15.448 -5.718 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.184 15.455 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.583 16.871 -6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.421 14.320 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.505 15.666 -5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.387 17.081 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.860 16.238 -4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.510 15.525 -2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.137 14.222 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.780 14.984 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.311 15.300 -3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.704 16.562 -2.160 1.00 0.00 H new ATOM 478 N GLY A 33 5.323 16.428 -7.483 1.00 0.00 N ATOM 479 CA GLY A 33 4.489 17.030 -8.507 1.00 0.00 C ATOM 480 C GLY A 33 4.933 18.435 -8.863 1.00 0.00 C ATOM 481 O GLY A 33 5.031 19.301 -7.995 1.00 0.00 O ATOM 0 H GLY A 33 4.980 16.542 -6.529 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.511 16.408 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.456 17.055 -8.161 1.00 0.00 H new ATOM 485 N ASN A 34 5.202 18.661 -10.145 1.00 0.00 N ATOM 486 CA ASN A 34 5.640 19.971 -10.614 1.00 0.00 C ATOM 487 C ASN A 34 4.891 21.086 -9.891 1.00 0.00 C ATOM 488 O ASN A 34 5.501 21.976 -9.300 1.00 0.00 O ATOM 489 CB ASN A 34 5.424 20.093 -12.124 1.00 0.00 C ATOM 490 CG ASN A 34 6.548 19.460 -12.921 1.00 0.00 C ATOM 491 OD1 ASN A 34 7.719 19.563 -12.555 1.00 0.00 O ATOM 492 ND2 ASN A 34 6.197 18.801 -14.019 1.00 0.00 N ATOM 0 H ASN A 34 5.124 17.955 -10.877 1.00 0.00 H new ATOM 0 HA ASN A 34 6.703 20.071 -10.396 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.480 19.619 -12.393 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.340 21.146 -12.393 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.910 18.355 -14.596 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.214 18.741 -14.285 1.00 0.00 H new ATOM 499 N GLY A 35 3.564 21.030 -9.941 1.00 0.00 N ATOM 500 CA GLY A 35 2.753 22.040 -9.286 1.00 0.00 C ATOM 501 C GLY A 35 1.666 21.438 -8.418 1.00 0.00 C ATOM 502 O GLY A 35 1.936 20.575 -7.582 1.00 0.00 O ATOM 0 H GLY A 35 3.036 20.303 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.393 22.674 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.298 22.681 -10.041 1.00 0.00 H new ATOM 506 N ARG A 36 0.433 21.894 -8.615 1.00 0.00 N ATOM 507 CA ARG A 36 -0.698 21.397 -7.841 1.00 0.00 C ATOM 508 C ARG A 36 -1.628 20.560 -8.714 1.00 0.00 C ATOM 509 O ARG A 36 -2.061 19.477 -8.320 1.00 0.00 O ATOM 510 CB ARG A 36 -1.473 22.563 -7.224 1.00 0.00 C ATOM 511 CG ARG A 36 -0.972 22.966 -5.846 1.00 0.00 C ATOM 512 CD ARG A 36 -2.051 23.681 -5.049 1.00 0.00 C ATOM 513 NE ARG A 36 -1.487 24.635 -4.098 1.00 0.00 N ATOM 514 CZ ARG A 36 -1.072 24.301 -2.881 1.00 0.00 C ATOM 515 NH1 ARG A 36 -1.158 23.044 -2.469 1.00 0.00 N ATOM 516 NH2 ARG A 36 -0.570 25.226 -2.072 1.00 0.00 N ATOM 0 H ARG A 36 0.192 22.607 -9.304 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.310 20.765 -7.043 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.410 23.423 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.526 22.291 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.644 22.079 -5.303 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.103 23.616 -5.949 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.721 24.203 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.652 22.947 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.407 25.611 -4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.544 22.330 -3.087 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.838 22.791 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.503 26.195 -2.385 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.252 24.968 -1.138 1.00 0.00 H new ATOM 530 N THR A 37 -1.932 21.069 -9.904 1.00 0.00 N ATOM 531 CA THR A 37 -2.811 20.370 -10.833 1.00 0.00 C ATOM 532 C THR A 37 -2.643 18.860 -10.718 1.00 0.00 C ATOM 533 O THR A 37 -3.622 18.124 -10.599 1.00 0.00 O ATOM 534 CB THR A 37 -2.543 20.796 -12.289 1.00 0.00 C ATOM 535 OG1 THR A 37 -1.163 20.595 -12.612 1.00 0.00 O ATOM 536 CG2 THR A 37 -2.911 22.257 -12.502 1.00 0.00 C ATOM 0 H THR A 37 -1.582 21.964 -10.247 1.00 0.00 H new ATOM 0 HA THR A 37 -3.833 20.640 -10.566 1.00 0.00 H new ATOM 0 HB THR A 37 -3.162 20.182 -12.943 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.001 20.867 -13.540 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.713 22.535 -13.537 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.969 22.401 -12.283 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.315 22.883 -11.838 1.00 0.00 H new ATOM 544 N SER A 38 -1.395 18.404 -10.755 1.00 0.00 N ATOM 545 CA SER A 38 -1.098 16.979 -10.658 1.00 0.00 C ATOM 546 C SER A 38 -0.908 16.561 -9.203 1.00 0.00 C ATOM 547 O SER A 38 -0.060 17.091 -8.484 1.00 0.00 O ATOM 548 CB SER A 38 0.156 16.642 -11.466 1.00 0.00 C ATOM 549 OG SER A 38 1.265 17.409 -11.029 1.00 0.00 O ATOM 0 H SER A 38 -0.573 19.000 -10.851 1.00 0.00 H new ATOM 0 HA SER A 38 -1.944 16.428 -11.068 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.382 15.580 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.027 16.831 -12.524 1.00 0.00 H new ATOM 0 HG SER A 38 1.216 17.532 -10.058 1.00 0.00 H new ATOM 555 N PRO A 39 -1.716 15.588 -8.758 1.00 0.00 N ATOM 556 CA PRO A 39 -1.657 15.076 -7.385 1.00 0.00 C ATOM 557 C PRO A 39 -0.385 14.277 -7.119 1.00 0.00 C ATOM 558 O PRO A 39 0.272 13.811 -8.049 1.00 0.00 O ATOM 559 CB PRO A 39 -2.887 14.170 -7.291 1.00 0.00 C ATOM 560 CG PRO A 39 -3.157 13.751 -8.694 1.00 0.00 C ATOM 561 CD PRO A 39 -2.750 14.911 -9.559 1.00 0.00 C ATOM 0 HA PRO A 39 -1.646 15.881 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.696 13.309 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.738 14.701 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.590 12.856 -8.950 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.211 13.511 -8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.359 14.578 -10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.592 15.571 -9.769 1.00 0.00 H new ATOM 569 N TRP A 40 -0.046 14.123 -5.844 1.00 0.00 N ATOM 570 CA TRP A 40 1.148 13.379 -5.456 1.00 0.00 C ATOM 571 C TRP A 40 0.908 11.877 -5.552 1.00 0.00 C ATOM 572 O TRP A 40 -0.234 11.427 -5.649 1.00 0.00 O ATOM 573 CB TRP A 40 1.566 13.752 -4.033 1.00 0.00 C ATOM 574 CG TRP A 40 2.022 15.174 -3.901 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.476 16.269 -4.507 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.119 15.652 -3.116 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.168 17.400 -4.146 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.180 17.049 -3.292 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.055 15.038 -2.279 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.140 17.837 -2.663 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.007 15.822 -1.656 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.043 17.209 -1.849 1.00 0.00 C ATOM 0 H TRP A 40 -0.580 14.503 -5.062 1.00 0.00 H new ATOM 0 HA TRP A 40 1.951 13.644 -6.144 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.726 13.583 -3.359 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.370 13.089 -3.713 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.625 16.249 -5.172 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.962 18.347 -4.463 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.034 13.970 -2.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.171 18.906 -2.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.736 15.357 -1.009 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.798 17.794 -1.345 1.00 0.00 H new ATOM 593 N GLU A 41 1.990 11.106 -5.522 1.00 0.00 N ATOM 594 CA GLU A 41 1.895 9.653 -5.606 1.00 0.00 C ATOM 595 C GLU A 41 2.904 8.987 -4.675 1.00 0.00 C ATOM 596 O GLU A 41 4.048 9.429 -4.565 1.00 0.00 O ATOM 597 CB GLU A 41 2.127 9.186 -7.045 1.00 0.00 C ATOM 598 CG GLU A 41 0.848 9.048 -7.854 1.00 0.00 C ATOM 599 CD GLU A 41 0.469 10.329 -8.570 1.00 0.00 C ATOM 600 OE1 GLU A 41 1.374 10.995 -9.115 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.734 10.665 -8.586 1.00 0.00 O ATOM 0 H GLU A 41 2.942 11.463 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 41 0.892 9.362 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.789 9.893 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.641 8.225 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.970 8.250 -8.586 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.034 8.752 -7.192 1.00 0.00 H new ATOM 608 N ILE A 42 2.471 7.923 -4.008 1.00 0.00 N ATOM 609 CA ILE A 42 3.336 7.195 -3.087 1.00 0.00 C ATOM 610 C ILE A 42 3.179 5.688 -3.259 1.00 0.00 C ATOM 611 O ILE A 42 2.121 5.128 -2.972 1.00 0.00 O ATOM 612 CB ILE A 42 3.038 7.568 -1.622 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.415 9.027 -1.357 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.789 6.641 -0.677 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.734 9.615 -0.142 1.00 0.00 C ATOM 0 H ILE A 42 1.527 7.546 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 42 4.361 7.480 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 42 1.969 7.451 -1.443 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.495 9.097 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.159 9.625 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.569 6.917 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.476 5.612 -0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.861 6.730 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.048 10.651 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.653 9.577 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.010 9.041 0.743 1.00 0.00 H new ATOM 627 N TYR A 43 4.238 5.038 -3.726 1.00 0.00 N ATOM 628 CA TYR A 43 4.218 3.596 -3.937 1.00 0.00 C ATOM 629 C TYR A 43 5.092 2.883 -2.910 1.00 0.00 C ATOM 630 O TYR A 43 6.216 3.304 -2.635 1.00 0.00 O ATOM 631 CB TYR A 43 4.695 3.259 -5.351 1.00 0.00 C ATOM 632 CG TYR A 43 4.254 4.260 -6.394 1.00 0.00 C ATOM 633 CD1 TYR A 43 2.960 4.767 -6.394 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.130 4.699 -7.379 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.552 5.682 -7.345 1.00 0.00 C ATOM 636 CE2 TYR A 43 4.731 5.615 -8.333 1.00 0.00 C ATOM 637 CZ TYR A 43 3.441 6.103 -8.312 1.00 0.00 C ATOM 638 OH TYR A 43 3.039 7.014 -9.262 1.00 0.00 O ATOM 0 H TYR A 43 5.122 5.487 -3.966 1.00 0.00 H new ATOM 0 HA TYR A 43 3.191 3.251 -3.816 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.783 3.200 -5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.322 2.272 -5.626 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.262 4.440 -5.638 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.140 4.318 -7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.543 6.066 -7.331 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.425 5.947 -9.091 1.00 0.00 H new ATOM 0 HH TYR A 43 3.785 7.206 -9.868 1.00 0.00 H new ATOM 648 N ILE A 44 4.568 1.800 -2.346 1.00 0.00 N ATOM 649 CA ILE A 44 5.299 1.027 -1.350 1.00 0.00 C ATOM 650 C ILE A 44 5.073 -0.469 -1.541 1.00 0.00 C ATOM 651 O ILE A 44 4.025 -0.893 -2.029 1.00 0.00 O ATOM 652 CB ILE A 44 4.888 1.419 0.081 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.828 0.771 1.100 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.447 1.012 0.348 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.739 1.386 2.480 1.00 0.00 C ATOM 0 H ILE A 44 3.639 1.438 -2.562 1.00 0.00 H new ATOM 0 HA ILE A 44 6.356 1.253 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 44 4.964 2.502 0.182 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.598 -0.292 1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.854 0.853 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.171 1.296 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.789 1.515 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.346 -0.067 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.432 0.878 3.150 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.998 2.443 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.723 1.280 2.861 1.00 0.00 H new ATOM 667 N THR A 45 6.062 -1.267 -1.150 1.00 0.00 N ATOM 668 CA THR A 45 5.971 -2.716 -1.277 1.00 0.00 C ATOM 669 C THR A 45 5.621 -3.363 0.058 1.00 0.00 C ATOM 670 O THR A 45 6.283 -3.125 1.068 1.00 0.00 O ATOM 671 CB THR A 45 7.291 -3.318 -1.796 1.00 0.00 C ATOM 672 OG1 THR A 45 7.683 -2.666 -3.009 1.00 0.00 O ATOM 673 CG2 THR A 45 7.144 -4.812 -2.042 1.00 0.00 C ATOM 0 H THR A 45 6.936 -0.934 -0.743 1.00 0.00 H new ATOM 0 HA THR A 45 5.179 -2.922 -1.997 1.00 0.00 H new ATOM 0 HB THR A 45 8.058 -3.164 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.524 -3.053 -3.332 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.088 -5.215 -2.408 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.874 -5.309 -1.110 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.364 -4.984 -2.784 1.00 0.00 H new ATOM 681 N LEU A 46 4.576 -4.184 0.055 1.00 0.00 N ATOM 682 CA LEU A 46 4.137 -4.867 1.267 1.00 0.00 C ATOM 683 C LEU A 46 4.248 -6.380 1.109 1.00 0.00 C ATOM 684 O LEU A 46 4.405 -6.889 -0.001 1.00 0.00 O ATOM 685 CB LEU A 46 2.694 -4.482 1.599 1.00 0.00 C ATOM 686 CG LEU A 46 2.517 -3.265 2.508 1.00 0.00 C ATOM 687 CD1 LEU A 46 3.006 -2.004 1.812 1.00 0.00 C ATOM 688 CD2 LEU A 46 1.061 -3.116 2.923 1.00 0.00 C ATOM 0 H LEU A 46 4.017 -4.393 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 46 4.787 -4.557 2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.165 -4.293 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.210 -5.337 2.071 1.00 0.00 H new ATOM 0 HG LEU A 46 3.116 -3.416 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.872 -1.148 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.062 -2.111 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.434 -1.848 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.954 -2.245 3.569 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.441 -2.988 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.743 -4.009 3.462 1.00 0.00 H new ATOM 700 N HIS A 47 4.162 -7.095 2.227 1.00 0.00 N ATOM 701 CA HIS A 47 4.250 -8.551 2.212 1.00 0.00 C ATOM 702 C HIS A 47 3.661 -9.143 3.489 1.00 0.00 C ATOM 703 O HIS A 47 3.918 -8.672 4.597 1.00 0.00 O ATOM 704 CB HIS A 47 5.705 -8.993 2.055 1.00 0.00 C ATOM 705 CG HIS A 47 6.633 -8.368 3.051 1.00 0.00 C ATOM 706 ND1 HIS A 47 6.880 -8.912 4.293 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.376 -7.239 2.981 1.00 0.00 C ATOM 708 CE1 HIS A 47 7.734 -8.144 4.945 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.051 -7.122 4.171 1.00 0.00 N ATOM 0 H HIS A 47 4.032 -6.690 3.154 1.00 0.00 H new ATOM 0 HA HIS A 47 3.673 -8.917 1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.759 -10.077 2.152 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.045 -8.745 1.049 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.428 -6.557 2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.109 -8.322 5.942 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.693 -6.368 4.417 1.00 0.00 H new ATOM 718 N PRO A 48 2.851 -10.201 3.332 1.00 0.00 N ATOM 719 CA PRO A 48 2.209 -10.880 4.461 1.00 0.00 C ATOM 720 C PRO A 48 3.208 -11.648 5.320 1.00 0.00 C ATOM 721 O PRO A 48 3.839 -12.598 4.856 1.00 0.00 O ATOM 722 CB PRO A 48 1.232 -11.845 3.785 1.00 0.00 C ATOM 723 CG PRO A 48 1.816 -12.094 2.438 1.00 0.00 C ATOM 724 CD PRO A 48 2.501 -10.816 2.040 1.00 0.00 C ATOM 0 HA PRO A 48 1.731 -10.176 5.142 1.00 0.00 H new ATOM 0 HB2 PRO A 48 1.135 -12.771 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.235 -11.411 3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.523 -12.923 2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.041 -12.361 1.720 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.386 -11.006 1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.844 -10.173 1.454 1.00 0.00 H new ATOM 732 N ALA A 49 3.346 -11.232 6.574 1.00 0.00 N ATOM 733 CA ALA A 49 4.266 -11.882 7.498 1.00 0.00 C ATOM 734 C ALA A 49 3.534 -12.878 8.392 1.00 0.00 C ATOM 735 O ALA A 49 3.844 -13.011 9.576 1.00 0.00 O ATOM 736 CB ALA A 49 4.988 -10.843 8.344 1.00 0.00 C ATOM 0 H ALA A 49 2.832 -10.447 6.974 1.00 0.00 H new ATOM 0 HA ALA A 49 5.002 -12.432 6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.672 -11.343 9.030 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.551 -10.173 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.259 -10.268 8.915 1.00 0.00 H new ATOM 742 N THR A 50 2.560 -13.577 7.817 1.00 0.00 N ATOM 743 CA THR A 50 1.783 -14.560 8.562 1.00 0.00 C ATOM 744 C THR A 50 1.989 -15.963 8.002 1.00 0.00 C ATOM 745 O THR A 50 1.761 -16.956 8.692 1.00 0.00 O ATOM 746 CB THR A 50 0.280 -14.225 8.534 1.00 0.00 C ATOM 747 OG1 THR A 50 -0.465 -15.259 9.187 1.00 0.00 O ATOM 748 CG2 THR A 50 -0.213 -14.063 7.104 1.00 0.00 C ATOM 0 H THR A 50 2.291 -13.480 6.838 1.00 0.00 H new ATOM 0 HA THR A 50 2.137 -14.527 9.592 1.00 0.00 H new ATOM 0 HB THR A 50 0.131 -13.283 9.061 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.419 -15.038 9.166 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.277 -13.827 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.335 -13.255 6.620 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.051 -14.991 6.556 1.00 0.00 H new ATOM 756 N ALA A 51 2.423 -16.036 6.748 1.00 0.00 N ATOM 757 CA ALA A 51 2.663 -17.318 6.097 1.00 0.00 C ATOM 758 C ALA A 51 3.857 -18.035 6.719 1.00 0.00 C ATOM 759 O ALA A 51 4.722 -17.406 7.327 1.00 0.00 O ATOM 760 CB ALA A 51 2.884 -17.119 4.605 1.00 0.00 C ATOM 0 H ALA A 51 2.615 -15.223 6.163 1.00 0.00 H new ATOM 0 HA ALA A 51 1.781 -17.942 6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.062 -18.085 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.001 -16.656 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.748 -16.473 4.448 1.00 0.00 H new ATOM 766 N GLU A 52 3.895 -19.355 6.564 1.00 0.00 N ATOM 767 CA GLU A 52 4.983 -20.156 7.113 1.00 0.00 C ATOM 768 C GLU A 52 6.246 -20.010 6.269 1.00 0.00 C ATOM 769 O GLU A 52 6.764 -20.989 5.733 1.00 0.00 O ATOM 770 CB GLU A 52 4.573 -21.629 7.187 1.00 0.00 C ATOM 771 CG GLU A 52 3.342 -21.876 8.042 1.00 0.00 C ATOM 772 CD GLU A 52 3.119 -23.348 8.331 1.00 0.00 C ATOM 773 OE1 GLU A 52 4.070 -24.013 8.791 1.00 0.00 O ATOM 774 OE2 GLU A 52 1.993 -23.835 8.096 1.00 0.00 O ATOM 0 H GLU A 52 3.186 -19.891 6.064 1.00 0.00 H new ATOM 0 HA GLU A 52 5.196 -19.794 8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.384 -21.996 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.405 -22.209 7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.444 -21.336 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.465 -21.472 7.536 1.00 0.00 H new ATOM 781 N ASP A 53 6.735 -18.780 6.157 1.00 0.00 N ATOM 782 CA ASP A 53 7.938 -18.504 5.379 1.00 0.00 C ATOM 783 C ASP A 53 7.681 -18.708 3.889 1.00 0.00 C ATOM 784 O ASP A 53 8.604 -18.978 3.122 1.00 0.00 O ATOM 785 CB ASP A 53 9.086 -19.404 5.839 1.00 0.00 C ATOM 786 CG ASP A 53 9.262 -19.393 7.345 1.00 0.00 C ATOM 787 OD1 ASP A 53 8.414 -19.982 8.047 1.00 0.00 O ATOM 788 OD2 ASP A 53 10.250 -18.796 7.822 1.00 0.00 O ATOM 0 H ASP A 53 6.318 -17.959 6.595 1.00 0.00 H new ATOM 0 HA ASP A 53 8.215 -17.462 5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.900 -20.425 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.012 -19.078 5.365 1.00 0.00 H new ATOM 793 N GLN A 54 6.420 -18.578 3.488 1.00 0.00 N ATOM 794 CA GLN A 54 6.042 -18.750 2.091 1.00 0.00 C ATOM 795 C GLN A 54 6.938 -19.777 1.407 1.00 0.00 C ATOM 796 O GLN A 54 7.476 -19.526 0.328 1.00 0.00 O ATOM 797 CB GLN A 54 6.121 -17.414 1.351 1.00 0.00 C ATOM 798 CG GLN A 54 7.510 -16.796 1.358 1.00 0.00 C ATOM 799 CD GLN A 54 7.510 -15.356 0.884 1.00 0.00 C ATOM 800 OE1 GLN A 54 7.155 -14.444 1.631 1.00 0.00 O ATOM 801 NE2 GLN A 54 7.911 -15.143 -0.365 1.00 0.00 N ATOM 0 H GLN A 54 5.644 -18.354 4.111 1.00 0.00 H new ATOM 0 HA GLN A 54 5.015 -19.114 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.803 -17.560 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.419 -16.715 1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.919 -16.842 2.367 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.169 -17.385 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.197 -15.928 -0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.933 -14.194 -0.739 1.00 0.00 H new ATOM 810 N ASP A 55 7.095 -20.934 2.041 1.00 0.00 N ATOM 811 CA ASP A 55 7.925 -22.000 1.494 1.00 0.00 C ATOM 812 C ASP A 55 7.563 -22.279 0.038 1.00 0.00 C ATOM 813 O ASP A 55 6.487 -22.802 -0.255 1.00 0.00 O ATOM 814 CB ASP A 55 7.770 -23.275 2.324 1.00 0.00 C ATOM 815 CG ASP A 55 8.861 -24.288 2.040 1.00 0.00 C ATOM 816 OD1 ASP A 55 10.025 -24.024 2.408 1.00 0.00 O ATOM 817 OD2 ASP A 55 8.552 -25.344 1.450 1.00 0.00 O ATOM 0 H ASP A 55 6.658 -21.157 2.935 1.00 0.00 H new ATOM 0 HA ASP A 55 8.964 -21.674 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.783 -23.019 3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.799 -23.724 2.117 1.00 0.00 H new ATOM 822 N SER A 56 8.466 -21.925 -0.870 1.00 0.00 N ATOM 823 CA SER A 56 8.240 -22.132 -2.295 1.00 0.00 C ATOM 824 C SER A 56 7.011 -21.361 -2.768 1.00 0.00 C ATOM 825 O SER A 56 6.228 -21.857 -3.577 1.00 0.00 O ATOM 826 CB SER A 56 8.066 -23.623 -2.594 1.00 0.00 C ATOM 827 OG SER A 56 9.322 -24.261 -2.752 1.00 0.00 O ATOM 0 H SER A 56 9.362 -21.493 -0.644 1.00 0.00 H new ATOM 0 HA SER A 56 9.111 -21.759 -2.834 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.513 -24.098 -1.784 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.474 -23.749 -3.501 1.00 0.00 H new ATOM 0 HG SER A 56 9.184 -25.213 -2.940 1.00 0.00 H new ATOM 833 N GLN A 57 6.851 -20.145 -2.256 1.00 0.00 N ATOM 834 CA GLN A 57 5.718 -19.305 -2.624 1.00 0.00 C ATOM 835 C GLN A 57 6.053 -17.828 -2.444 1.00 0.00 C ATOM 836 O GLN A 57 6.894 -17.469 -1.619 1.00 0.00 O ATOM 837 CB GLN A 57 4.492 -19.668 -1.784 1.00 0.00 C ATOM 838 CG GLN A 57 3.172 -19.433 -2.501 1.00 0.00 C ATOM 839 CD GLN A 57 2.751 -20.615 -3.351 1.00 0.00 C ATOM 840 OE1 GLN A 57 3.542 -21.524 -3.607 1.00 0.00 O ATOM 841 NE2 GLN A 57 1.499 -20.610 -3.794 1.00 0.00 N ATOM 0 H GLN A 57 7.491 -19.720 -1.586 1.00 0.00 H new ATOM 0 HA GLN A 57 5.494 -19.482 -3.676 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.557 -20.717 -1.495 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.506 -19.083 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.395 -19.225 -1.765 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.258 -18.549 -3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.878 -19.836 -3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.159 -21.380 -4.370 1.00 0.00 H new ATOM 850 N TYR A 58 5.391 -16.977 -3.219 1.00 0.00 N ATOM 851 CA TYR A 58 5.621 -15.539 -3.147 1.00 0.00 C ATOM 852 C TYR A 58 4.305 -14.772 -3.230 1.00 0.00 C ATOM 853 O TYR A 58 3.329 -15.250 -3.809 1.00 0.00 O ATOM 854 CB TYR A 58 6.556 -15.094 -4.273 1.00 0.00 C ATOM 855 CG TYR A 58 6.322 -13.670 -4.727 1.00 0.00 C ATOM 856 CD1 TYR A 58 5.260 -13.353 -5.566 1.00 0.00 C ATOM 857 CD2 TYR A 58 7.161 -12.642 -4.315 1.00 0.00 C ATOM 858 CE1 TYR A 58 5.043 -12.055 -5.983 1.00 0.00 C ATOM 859 CE2 TYR A 58 6.951 -11.340 -4.727 1.00 0.00 C ATOM 860 CZ TYR A 58 5.891 -11.052 -5.561 1.00 0.00 C ATOM 861 OH TYR A 58 5.678 -9.756 -5.974 1.00 0.00 O ATOM 0 H TYR A 58 4.690 -17.258 -3.905 1.00 0.00 H new ATOM 0 HA TYR A 58 6.089 -15.319 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.588 -15.195 -3.938 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.430 -15.763 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.593 -14.135 -5.897 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.992 -12.864 -3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.214 -11.826 -6.636 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.613 -10.553 -4.398 1.00 0.00 H new ATOM 0 HH TYR A 58 4.720 -9.614 -6.125 1.00 0.00 H new ATOM 871 N VAL A 59 4.286 -13.578 -2.646 1.00 0.00 N ATOM 872 CA VAL A 59 3.092 -12.741 -2.654 1.00 0.00 C ATOM 873 C VAL A 59 3.404 -11.332 -2.162 1.00 0.00 C ATOM 874 O VAL A 59 3.735 -11.131 -0.993 1.00 0.00 O ATOM 875 CB VAL A 59 1.978 -13.345 -1.777 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.486 -13.592 -0.365 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.760 -12.434 -1.762 1.00 0.00 C ATOM 0 H VAL A 59 5.084 -13.168 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 59 2.746 -12.693 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 59 1.682 -14.303 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.686 -14.019 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.326 -14.286 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.810 -12.649 0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.017 -12.876 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.039 -11.460 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.384 -12.312 -2.778 1.00 0.00 H new ATOM 887 N CYS A 60 3.296 -10.361 -3.061 1.00 0.00 N ATOM 888 CA CYS A 60 3.567 -8.969 -2.719 1.00 0.00 C ATOM 889 C CYS A 60 2.759 -8.025 -3.604 1.00 0.00 C ATOM 890 O CYS A 60 2.514 -8.313 -4.776 1.00 0.00 O ATOM 891 CB CYS A 60 5.060 -8.669 -2.861 1.00 0.00 C ATOM 892 SG CYS A 60 6.066 -9.265 -1.482 1.00 0.00 S ATOM 0 H CYS A 60 3.023 -10.511 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 60 3.269 -8.810 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.424 -9.120 -3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.196 -7.592 -2.957 1.00 0.00 H new ATOM 0 HG CYS A 60 5.428 -10.208 -0.855 1.00 0.00 H new ATOM 898 N PHE A 61 2.348 -6.896 -3.035 1.00 0.00 N ATOM 899 CA PHE A 61 1.566 -5.910 -3.771 1.00 0.00 C ATOM 900 C PHE A 61 2.080 -4.498 -3.504 1.00 0.00 C ATOM 901 O PHE A 61 2.592 -4.206 -2.423 1.00 0.00 O ATOM 902 CB PHE A 61 0.088 -6.009 -3.385 1.00 0.00 C ATOM 903 CG PHE A 61 -0.241 -5.318 -2.093 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.237 -3.934 -2.011 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.556 -6.051 -0.960 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.539 -3.296 -0.823 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.859 -5.419 0.231 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.851 -4.039 0.299 1.00 0.00 C ATOM 0 H PHE A 61 2.544 -6.642 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 61 1.671 -6.120 -4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.517 -5.578 -4.183 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.189 -7.060 -3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.005 -3.348 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.565 -7.130 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.531 -2.217 -0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -1.102 -6.003 1.107 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.088 -3.542 1.228 1.00 0.00 H new ATOM 918 N THR A 62 1.939 -3.626 -4.497 1.00 0.00 N ATOM 919 CA THR A 62 2.390 -2.246 -4.371 1.00 0.00 C ATOM 920 C THR A 62 1.253 -1.334 -3.922 1.00 0.00 C ATOM 921 O THR A 62 0.266 -1.159 -4.637 1.00 0.00 O ATOM 922 CB THR A 62 2.962 -1.718 -5.701 1.00 0.00 C ATOM 923 OG1 THR A 62 4.051 -2.543 -6.127 1.00 0.00 O ATOM 924 CG2 THR A 62 3.435 -0.280 -5.553 1.00 0.00 C ATOM 0 H THR A 62 1.516 -3.851 -5.397 1.00 0.00 H new ATOM 0 HA THR A 62 3.177 -2.239 -3.617 1.00 0.00 H new ATOM 0 HB THR A 62 2.170 -1.748 -6.450 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.408 -2.202 -6.974 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.835 0.071 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.596 0.350 -5.257 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.213 -0.230 -4.792 1.00 0.00 H new ATOM 932 N LEU A 63 1.398 -0.756 -2.736 1.00 0.00 N ATOM 933 CA LEU A 63 0.383 0.139 -2.191 1.00 0.00 C ATOM 934 C LEU A 63 0.542 1.548 -2.753 1.00 0.00 C ATOM 935 O LEU A 63 1.526 2.233 -2.473 1.00 0.00 O ATOM 936 CB LEU A 63 0.471 0.174 -0.665 1.00 0.00 C ATOM 937 CG LEU A 63 -0.841 0.428 0.078 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.725 -0.004 1.531 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.231 1.896 -0.015 1.00 0.00 C ATOM 0 H LEU A 63 2.209 -0.891 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.596 -0.241 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.881 -0.776 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.183 0.949 -0.380 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.624 -0.166 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.669 0.185 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.494 -1.068 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.071 0.561 2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.167 2.058 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.448 2.509 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.358 2.173 -1.062 1.00 0.00 H new ATOM 951 N VAL A 64 -0.435 1.977 -3.547 1.00 0.00 N ATOM 952 CA VAL A 64 -0.405 3.306 -4.146 1.00 0.00 C ATOM 953 C VAL A 64 -1.389 4.242 -3.454 1.00 0.00 C ATOM 954 O VAL A 64 -2.605 4.089 -3.582 1.00 0.00 O ATOM 955 CB VAL A 64 -0.736 3.252 -5.649 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.724 4.649 -6.250 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.241 2.341 -6.377 1.00 0.00 C ATOM 0 H VAL A 64 -1.256 1.423 -3.790 1.00 0.00 H new ATOM 0 HA VAL A 64 0.608 3.688 -4.018 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.738 2.841 -5.768 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.960 4.590 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.467 5.268 -5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.264 5.092 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.008 2.315 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.255 2.720 -6.251 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.177 1.334 -5.964 1.00 0.00 H new ATOM 967 N LEU A 65 -0.857 5.213 -2.720 1.00 0.00 N ATOM 968 CA LEU A 65 -1.689 6.177 -2.007 1.00 0.00 C ATOM 969 C LEU A 65 -1.754 7.502 -2.759 1.00 0.00 C ATOM 970 O LEU A 65 -0.805 8.285 -2.739 1.00 0.00 O ATOM 971 CB LEU A 65 -1.143 6.405 -0.596 1.00 0.00 C ATOM 972 CG LEU A 65 -1.346 5.258 0.396 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.332 5.344 1.525 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.765 5.275 0.947 1.00 0.00 C ATOM 0 H LEU A 65 0.146 5.354 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.698 5.769 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.075 6.610 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.612 7.300 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.193 4.316 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.492 4.520 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.676 5.282 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.452 6.291 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.892 4.452 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.946 6.221 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.475 5.164 0.127 1.00 0.00 H new ATOM 986 N GLN A 66 -2.881 7.746 -3.420 1.00 0.00 N ATOM 987 CA GLN A 66 -3.069 8.978 -4.178 1.00 0.00 C ATOM 988 C GLN A 66 -3.516 10.115 -3.265 1.00 0.00 C ATOM 989 O GLN A 66 -4.677 10.180 -2.859 1.00 0.00 O ATOM 990 CB GLN A 66 -4.099 8.765 -5.289 1.00 0.00 C ATOM 991 CG GLN A 66 -3.490 8.301 -6.602 1.00 0.00 C ATOM 992 CD GLN A 66 -3.411 6.791 -6.707 1.00 0.00 C ATOM 993 OE1 GLN A 66 -3.606 6.077 -5.723 1.00 0.00 O ATOM 994 NE2 GLN A 66 -3.125 6.294 -7.905 1.00 0.00 N ATOM 0 H GLN A 66 -3.677 7.108 -3.446 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.113 9.250 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.832 8.029 -4.958 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.638 9.698 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.083 8.688 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.489 8.721 -6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.971 6.922 -8.694 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.060 5.285 -8.036 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.588 11.011 -2.946 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.886 12.147 -2.082 1.00 0.00 C ATOM 1005 C VAL A 67 -3.284 13.370 -2.900 1.00 0.00 C ATOM 1006 O VAL A 67 -2.453 14.018 -3.539 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.681 12.507 -1.193 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.012 13.692 -0.299 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.254 11.306 -0.363 1.00 0.00 C ATOM 0 H VAL A 67 -1.623 10.972 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.721 11.851 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.848 12.790 -1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.149 13.932 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.266 14.554 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.859 13.441 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.401 11.578 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.081 10.991 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.973 10.487 -1.025 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.584 13.697 -2.882 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.122 14.846 -3.616 1.00 0.00 C ATOM 1021 C PRO A 68 -4.679 16.176 -3.016 1.00 0.00 C ATOM 1022 O PRO A 68 -4.028 16.211 -1.973 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.637 14.676 -3.480 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.819 13.886 -2.230 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.630 12.970 -2.142 1.00 0.00 C ATOM 0 HA PRO A 68 -4.773 14.870 -4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.139 15.641 -3.415 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.056 14.156 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.873 14.540 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.748 13.317 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.338 12.789 -1.108 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.837 11.998 -2.590 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.037 17.269 -3.683 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.678 18.601 -3.214 1.00 0.00 C ATOM 1035 C ALA A 69 -5.385 18.931 -1.904 1.00 0.00 C ATOM 1036 O ALA A 69 -4.809 19.563 -1.020 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.012 19.641 -4.273 1.00 0.00 C ATOM 0 H ALA A 69 -5.575 17.257 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.604 18.617 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.739 20.631 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.456 19.423 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.081 19.615 -4.485 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.637 18.500 -1.788 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.423 18.752 -0.586 1.00 0.00 C ATOM 1045 C GLU A 70 -6.682 18.272 0.659 1.00 0.00 C ATOM 1046 O GLU A 70 -6.550 19.007 1.638 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.782 18.057 -0.683 1.00 0.00 C ATOM 1048 CG GLU A 70 -9.709 18.674 -1.717 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.700 20.190 -1.678 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.575 20.755 -0.571 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -9.819 20.812 -2.754 1.00 0.00 O ATOM 0 H GLU A 70 -7.129 17.975 -2.511 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.578 19.828 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.627 17.006 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.267 18.089 0.293 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.413 18.338 -2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.725 18.316 -1.549 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.201 17.035 0.613 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.476 16.455 1.737 1.00 0.00 C ATOM 1060 C TYR A 71 -4.720 17.531 2.512 1.00 0.00 C ATOM 1061 O TYR A 71 -4.146 18.457 1.939 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.499 15.386 1.244 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.664 14.774 2.346 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.676 15.511 2.986 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.864 13.459 2.748 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.910 14.956 3.993 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.104 12.896 3.755 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.128 13.648 4.374 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.368 13.091 5.377 1.00 0.00 O ATOM 0 H TYR A 71 -6.300 16.415 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.203 15.994 2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.060 14.597 0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.836 15.827 0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.504 16.536 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.627 12.867 2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.145 15.543 4.479 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.273 11.873 4.056 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.804 13.245 6.241 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.720 17.406 3.847 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.400 16.308 4.540 1.00 0.00 C ATOM 1081 C PRO A 72 -6.918 16.420 4.454 1.00 0.00 C ATOM 1082 O PRO A 72 -7.634 15.429 4.606 1.00 0.00 O ATOM 1083 CB PRO A 72 -4.935 16.461 5.990 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.584 17.902 6.126 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.055 18.327 4.784 1.00 0.00 C ATOM 0 HA PRO A 72 -5.161 15.339 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.721 16.177 6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.076 15.823 6.200 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.457 18.492 6.406 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -3.836 18.050 6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.300 19.367 4.567 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.970 18.237 4.733 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.405 17.632 4.208 1.00 0.00 N ATOM 1094 CA HIS A 73 -8.839 17.873 4.100 1.00 0.00 C ATOM 1095 C HIS A 73 -9.551 16.660 3.509 1.00 0.00 C ATOM 1096 O HIS A 73 -10.577 16.219 4.025 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.107 19.107 3.237 1.00 0.00 C ATOM 1098 CG HIS A 73 -8.571 20.376 3.824 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -7.318 20.886 3.837 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -9.360 21.285 4.498 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -7.371 22.081 4.511 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -8.614 22.299 4.899 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.827 18.463 4.080 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.229 18.048 5.103 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.663 18.956 2.253 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.182 19.210 3.089 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.488 20.462 3.423 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.421 21.184 4.671 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -6.532 22.736 4.694 1.00 0.00 H new ATOM 1111 N GLU A 74 -8.999 16.127 2.423 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.583 14.966 1.762 1.00 0.00 C ATOM 1113 C GLU A 74 -8.741 13.717 2.010 1.00 0.00 C ATOM 1114 O GLU A 74 -7.554 13.808 2.325 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.709 15.218 0.258 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.600 14.214 -0.455 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.050 14.699 -1.819 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -10.181 14.922 -2.687 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -12.273 14.855 -2.018 1.00 0.00 O ATOM 0 H GLU A 74 -8.149 16.480 1.983 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.576 14.803 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.105 16.221 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.716 15.193 -0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.062 13.272 -0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.476 14.009 0.161 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.365 12.552 1.868 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.674 11.285 2.076 1.00 0.00 C ATOM 1128 C VAL A 75 -8.010 10.804 0.791 1.00 0.00 C ATOM 1129 O VAL A 75 -8.576 10.889 -0.299 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.640 10.196 2.581 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.246 10.598 3.917 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.727 9.929 1.551 1.00 0.00 C ATOM 0 H VAL A 75 -10.347 12.459 1.610 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.909 11.461 2.832 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.077 9.274 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.926 9.817 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.452 10.734 4.651 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.796 11.532 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.400 9.157 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.290 10.845 1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.271 9.593 0.620 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.780 10.284 0.920 1.00 0.00 N ATOM 1143 CA PRO A 76 -6.012 9.777 -0.221 1.00 0.00 C ATOM 1144 C PRO A 76 -6.601 8.492 -0.792 1.00 0.00 C ATOM 1145 O PRO A 76 -6.750 7.498 -0.081 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.627 9.512 0.374 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.876 9.279 1.825 1.00 0.00 C ATOM 1148 CD PRO A 76 -6.045 10.151 2.189 1.00 0.00 C ATOM 0 HA PRO A 76 -6.006 10.481 -1.053 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.156 8.646 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.960 10.360 0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.096 8.229 2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.998 9.536 2.418 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.661 9.695 2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.721 11.120 2.569 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.934 8.519 -2.078 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.508 7.356 -2.743 1.00 0.00 C ATOM 1158 C GLN A 77 -6.557 6.166 -2.675 1.00 0.00 C ATOM 1159 O GLN A 77 -5.481 6.184 -3.273 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.830 7.683 -4.202 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.712 6.646 -4.878 1.00 0.00 C ATOM 1162 CD GLN A 77 -10.121 6.623 -4.317 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -10.420 7.298 -3.332 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.995 5.843 -4.943 1.00 0.00 N ATOM 0 H GLN A 77 -6.816 9.334 -2.680 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.430 7.092 -2.225 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.324 8.653 -4.247 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.898 7.774 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.754 6.852 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.262 5.660 -4.761 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.704 5.301 -5.756 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.958 5.787 -4.611 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.960 5.133 -1.942 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.143 3.935 -1.797 1.00 0.00 C ATOM 1175 C ILE A 78 -6.308 3.009 -2.997 1.00 0.00 C ATOM 1176 O ILE A 78 -7.413 2.825 -3.506 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.501 3.162 -0.514 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.529 4.110 0.687 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.509 2.033 -0.281 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.890 4.720 0.943 1.00 0.00 C ATOM 0 H ILE A 78 -7.847 5.102 -1.440 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.106 4.265 -1.736 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.494 2.728 -0.634 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.210 3.566 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.806 4.909 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.776 1.496 0.629 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.534 1.346 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.505 2.446 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.836 5.381 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.203 5.292 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.613 3.928 1.136 1.00 0.00 H new ATOM 1192 N SER A 79 -5.200 2.426 -3.444 1.00 0.00 N ATOM 1193 CA SER A 79 -5.220 1.519 -4.586 1.00 0.00 C ATOM 1194 C SER A 79 -4.031 0.564 -4.543 1.00 0.00 C ATOM 1195 O SER A 79 -3.061 0.796 -3.821 1.00 0.00 O ATOM 1196 CB SER A 79 -5.204 2.313 -5.894 1.00 0.00 C ATOM 1197 OG SER A 79 -3.954 2.951 -6.088 1.00 0.00 O ATOM 0 H SER A 79 -4.277 2.566 -3.033 1.00 0.00 H new ATOM 0 HA SER A 79 -6.137 0.932 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.409 1.645 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.998 3.059 -5.880 1.00 0.00 H new ATOM 0 HG SER A 79 -4.050 3.914 -5.931 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.114 -0.509 -5.321 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.045 -1.499 -5.373 1.00 0.00 C ATOM 1205 C ILE A 80 -2.657 -1.813 -6.813 1.00 0.00 C ATOM 1206 O ILE A 80 -3.518 -1.987 -7.676 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.453 -2.806 -4.666 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.865 -2.522 -3.221 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.311 -3.810 -4.710 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.523 -3.701 -2.537 1.00 0.00 C ATOM 0 H ILE A 80 -4.910 -0.716 -5.924 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.189 -1.067 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.308 -3.234 -5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.983 -2.228 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.551 -1.675 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.614 -4.728 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.060 -4.031 -5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.439 -3.392 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.788 -3.427 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.423 -3.982 -3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.832 -4.543 -2.519 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.354 -1.886 -7.067 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.851 -2.180 -8.403 1.00 0.00 C ATOM 1224 C ARG A 81 -0.145 -3.533 -8.433 1.00 0.00 C ATOM 1225 O ARG A 81 0.362 -4.001 -7.415 1.00 0.00 O ATOM 1226 CB ARG A 81 0.110 -1.082 -8.862 1.00 0.00 C ATOM 1227 CG ARG A 81 0.122 -0.873 -10.368 1.00 0.00 C ATOM 1228 CD ARG A 81 1.257 0.045 -10.794 1.00 0.00 C ATOM 1229 NE ARG A 81 1.603 -0.131 -12.202 1.00 0.00 N ATOM 1230 CZ ARG A 81 0.968 0.479 -13.197 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -0.040 1.301 -12.939 1.00 0.00 N ATOM 1232 NH2 ARG A 81 1.342 0.269 -14.452 1.00 0.00 N ATOM 0 H ARG A 81 -0.628 -1.745 -6.365 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.701 -2.218 -9.084 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.163 -0.145 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.118 -1.331 -8.530 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.224 -1.836 -10.869 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.830 -0.447 -10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.970 1.082 -10.618 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.134 -0.152 -10.178 1.00 0.00 H new ATOM 0 HE ARG A 81 2.374 -0.757 -12.434 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.329 1.466 -11.975 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.526 1.768 -13.705 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.118 -0.361 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.854 0.738 -15.215 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.119 -4.155 -9.607 1.00 0.00 N ATOM 1247 CA ASN A 82 0.523 -5.454 -9.769 1.00 0.00 C ATOM 1248 C ASN A 82 0.270 -6.341 -8.554 1.00 0.00 C ATOM 1249 O ASN A 82 1.196 -6.853 -7.924 1.00 0.00 O ATOM 1250 CB ASN A 82 2.028 -5.280 -9.983 1.00 0.00 C ATOM 1251 CG ASN A 82 2.387 -5.095 -11.445 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.982 -5.976 -12.066 1.00 0.00 O ATOM 1253 ND2 ASN A 82 2.025 -3.945 -12.002 1.00 0.00 N ATOM 0 H ASN A 82 -0.535 -3.781 -10.460 1.00 0.00 H new ATOM 0 HA ASN A 82 0.092 -5.937 -10.646 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.376 -4.417 -9.414 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.551 -6.152 -9.591 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.239 -3.764 -12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.533 -3.243 -11.449 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.014 -6.530 -8.216 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.419 -7.356 -7.075 1.00 0.00 C ATOM 1262 C PRO A 83 -1.162 -8.840 -7.314 1.00 0.00 C ATOM 1263 O PRO A 83 -2.060 -9.577 -7.721 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.921 -7.086 -6.957 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.342 -6.680 -8.327 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.169 -5.951 -8.922 1.00 0.00 C ATOM 0 HA PRO A 83 -0.856 -7.111 -6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.458 -7.975 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.126 -6.300 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.606 -7.550 -8.928 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.222 -6.038 -8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.102 -6.108 -9.999 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.241 -4.875 -8.761 1.00 0.00 H new ATOM 1274 N ARG A 84 0.068 -9.272 -7.058 1.00 0.00 N ATOM 1275 CA ARG A 84 0.443 -10.668 -7.246 1.00 0.00 C ATOM 1276 C ARG A 84 0.347 -11.438 -5.932 1.00 0.00 C ATOM 1277 O ARG A 84 0.435 -10.857 -4.852 1.00 0.00 O ATOM 1278 CB ARG A 84 1.863 -10.766 -7.805 1.00 0.00 C ATOM 1279 CG ARG A 84 2.189 -12.124 -8.406 1.00 0.00 C ATOM 1280 CD ARG A 84 3.355 -12.037 -9.379 1.00 0.00 C ATOM 1281 NE ARG A 84 3.029 -11.232 -10.553 1.00 0.00 N ATOM 1282 CZ ARG A 84 3.778 -11.196 -11.650 1.00 0.00 C ATOM 1283 NH1 ARG A 84 4.889 -11.916 -11.722 1.00 0.00 N ATOM 1284 NH2 ARG A 84 3.416 -10.439 -12.678 1.00 0.00 N ATOM 0 H ARG A 84 0.822 -8.675 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.252 -11.112 -7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.998 -9.999 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.574 -10.551 -7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.430 -12.827 -7.609 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.312 -12.515 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 84 4.219 -11.606 -8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.639 -13.041 -9.695 1.00 0.00 H new ATOM 0 HE ARG A 84 2.180 -10.667 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.171 -12.499 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.462 -11.887 -12.565 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.562 -9.884 -12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.992 -10.412 -13.519 1.00 0.00 H new ATOM 1298 N GLY A 85 0.165 -12.752 -6.034 1.00 0.00 N ATOM 1299 CA GLY A 85 0.060 -13.580 -4.847 1.00 0.00 C ATOM 1300 C GLY A 85 -1.332 -13.560 -4.248 1.00 0.00 C ATOM 1301 O GLY A 85 -1.846 -14.593 -3.816 1.00 0.00 O ATOM 0 H GLY A 85 0.089 -13.257 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.329 -14.606 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.778 -13.235 -4.103 1.00 0.00 H new ATOM 1305 N LEU A 86 -1.946 -12.382 -4.220 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.287 -12.231 -3.667 1.00 0.00 C ATOM 1307 C LEU A 86 -4.347 -12.482 -4.735 1.00 0.00 C ATOM 1308 O LEU A 86 -4.026 -12.749 -5.892 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.463 -10.830 -3.078 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.416 -10.398 -2.051 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.223 -8.890 -2.087 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.819 -10.852 -0.655 1.00 0.00 C ATOM 0 H LEU A 86 -1.536 -11.518 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.412 -12.970 -2.875 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.459 -10.110 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.446 -10.775 -2.610 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.468 -10.871 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.474 -8.601 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.889 -8.590 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.168 -8.397 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.062 -10.536 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.778 -10.407 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.905 -11.938 -0.636 1.00 0.00 H new ATOM 1324 N SER A 87 -5.613 -12.394 -4.337 1.00 0.00 N ATOM 1325 CA SER A 87 -6.721 -12.613 -5.259 1.00 0.00 C ATOM 1326 C SER A 87 -7.682 -11.429 -5.245 1.00 0.00 C ATOM 1327 O SER A 87 -7.667 -10.614 -4.323 1.00 0.00 O ATOM 1328 CB SER A 87 -7.469 -13.897 -4.894 1.00 0.00 C ATOM 1329 OG SER A 87 -6.786 -15.040 -5.377 1.00 0.00 O ATOM 0 H SER A 87 -5.896 -12.173 -3.382 1.00 0.00 H new ATOM 0 HA SER A 87 -6.311 -12.713 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.576 -13.964 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.475 -13.867 -5.312 1.00 0.00 H new ATOM 0 HG SER A 87 -7.283 -15.847 -5.129 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.517 -11.341 -6.275 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.487 -10.257 -6.382 1.00 0.00 C ATOM 1337 C ASP A 88 -10.121 -9.960 -5.027 1.00 0.00 C ATOM 1338 O ASP A 88 -10.053 -8.834 -4.533 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.572 -10.614 -7.399 1.00 0.00 C ATOM 1340 CG ASP A 88 -11.268 -9.388 -7.957 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -10.596 -8.579 -8.630 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -12.486 -9.238 -7.720 1.00 0.00 O ATOM 0 H ASP A 88 -8.542 -12.007 -7.047 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.962 -9.364 -6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.127 -11.180 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.309 -11.263 -6.927 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.738 -10.976 -4.431 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.386 -10.821 -3.134 1.00 0.00 C ATOM 1349 C GLU A 89 -10.463 -10.114 -2.146 1.00 0.00 C ATOM 1350 O GLU A 89 -10.829 -9.096 -1.559 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.796 -12.186 -2.578 1.00 0.00 C ATOM 1352 CG GLU A 89 -13.157 -12.657 -3.062 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.768 -13.707 -2.155 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -13.069 -14.690 -1.832 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -14.945 -13.546 -1.769 1.00 0.00 O ATOM 0 H GLU A 89 -10.803 -11.914 -4.826 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.278 -10.210 -3.273 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.045 -12.924 -2.859 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.804 -12.138 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.831 -11.803 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.060 -13.064 -4.068 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.265 -10.661 -1.968 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.290 -10.084 -1.050 1.00 0.00 C ATOM 1364 C GLN A 90 -8.028 -8.619 -1.386 1.00 0.00 C ATOM 1365 O GLN A 90 -8.245 -7.734 -0.558 1.00 0.00 O ATOM 1366 CB GLN A 90 -6.981 -10.873 -1.100 1.00 0.00 C ATOM 1367 CG GLN A 90 -6.944 -12.050 -0.139 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.757 -11.621 1.303 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -7.717 -11.546 2.070 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.516 -11.335 1.680 1.00 0.00 N ATOM 0 H GLN A 90 -8.946 -11.503 -2.447 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.700 -10.139 -0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.825 -11.238 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.153 -10.202 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.871 -12.616 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.133 -12.720 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.750 -11.411 1.011 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.329 -11.040 2.638 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.559 -8.372 -2.604 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.268 -7.014 -3.049 1.00 0.00 C ATOM 1381 C ILE A 91 -8.359 -6.045 -2.607 1.00 0.00 C ATOM 1382 O ILE A 91 -8.082 -5.031 -1.967 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.123 -6.943 -4.581 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.015 -7.885 -5.054 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.834 -5.515 -5.019 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.237 -8.426 -6.450 1.00 0.00 C ATOM 0 H ILE A 91 -7.372 -9.094 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.323 -6.727 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.062 -7.259 -5.036 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.062 -7.356 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.937 -8.720 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.734 -5.480 -6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.653 -4.866 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.907 -5.174 -4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.413 -9.086 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.173 -8.983 -6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.285 -7.598 -7.158 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.603 -6.365 -2.952 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.737 -5.524 -2.589 1.00 0.00 C ATOM 1400 C HIS A 92 -10.824 -5.353 -1.075 1.00 0.00 C ATOM 1401 O HIS A 92 -11.026 -4.246 -0.575 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.038 -6.127 -3.121 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.094 -5.107 -3.416 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.794 -5.070 -4.604 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.570 -4.084 -2.669 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.653 -4.067 -4.575 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.538 -3.453 -3.412 1.00 0.00 N ATOM 0 H HIS A 92 -9.850 -7.201 -3.482 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.589 -4.543 -3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.823 -6.689 -4.030 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.425 -6.838 -2.391 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.249 -3.814 -1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.334 -3.795 -5.368 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.080 -2.642 -3.114 1.00 0.00 H new ATOM 1416 N THR A 93 -10.671 -6.456 -0.350 1.00 0.00 N ATOM 1417 CA THR A 93 -10.734 -6.429 1.106 1.00 0.00 C ATOM 1418 C THR A 93 -9.728 -5.440 1.682 1.00 0.00 C ATOM 1419 O THR A 93 -10.094 -4.527 2.422 1.00 0.00 O ATOM 1420 CB THR A 93 -10.468 -7.823 1.706 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.405 -8.770 1.180 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.573 -7.788 3.223 1.00 0.00 C ATOM 0 H THR A 93 -10.502 -7.380 -0.748 1.00 0.00 H new ATOM 0 HA THR A 93 -11.743 -6.113 1.373 1.00 0.00 H new ATOM 0 HB THR A 93 -9.456 -8.124 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.212 -8.929 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.381 -8.783 3.624 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.839 -7.088 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.574 -7.467 3.511 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.458 -5.626 1.336 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.399 -4.748 1.818 1.00 0.00 C ATOM 1432 C ILE A 94 -7.811 -3.284 1.717 1.00 0.00 C ATOM 1433 O ILE A 94 -7.598 -2.502 2.645 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.092 -4.958 1.030 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.631 -6.412 1.144 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.012 -4.013 1.535 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.551 -6.783 0.151 1.00 0.00 C ATOM 0 H ILE A 94 -8.138 -6.377 0.724 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.228 -5.003 2.864 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.278 -4.737 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.261 -6.589 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.488 -7.069 0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.095 -4.173 0.969 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.342 -2.982 1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.825 -4.206 2.591 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.273 -7.828 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.924 -6.638 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.677 -6.151 0.310 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.404 -2.918 0.585 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.848 -1.547 0.363 1.00 0.00 C ATOM 1451 C LEU A 95 -9.955 -1.167 1.342 1.00 0.00 C ATOM 1452 O LEU A 95 -9.903 -0.111 1.972 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.343 -1.377 -1.075 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.374 -1.814 -2.174 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.125 -2.097 -3.466 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.307 -0.752 -2.397 1.00 0.00 C ATOM 0 H LEU A 95 -8.588 -3.552 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.998 -0.885 0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.268 -1.942 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.589 -0.327 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.883 -2.733 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.419 -2.407 -4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.851 -2.892 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.644 -1.195 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.626 -1.080 -3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.781 0.183 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.749 -0.598 -1.474 1.00 0.00 H new ATOM 1468 N GLN A 96 -10.953 -2.036 1.465 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.070 -1.792 2.369 1.00 0.00 C ATOM 1470 C GLN A 96 -11.594 -1.134 3.659 1.00 0.00 C ATOM 1471 O GLN A 96 -12.020 -0.030 3.999 1.00 0.00 O ATOM 1472 CB GLN A 96 -12.791 -3.103 2.687 1.00 0.00 C ATOM 1473 CG GLN A 96 -13.413 -3.768 1.470 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.625 -4.609 1.818 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -15.763 -4.215 1.560 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -14.387 -5.774 2.408 1.00 0.00 N ATOM 0 H GLN A 96 -11.011 -2.915 0.950 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.764 -1.114 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -12.084 -3.794 3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.571 -2.909 3.423 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -13.702 -3.002 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.667 -4.397 0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.428 -6.060 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -15.163 -6.383 2.666 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.706 -1.818 4.374 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.171 -1.299 5.627 1.00 0.00 C ATOM 1487 C VAL A 97 -9.534 0.072 5.427 1.00 0.00 C ATOM 1488 O VAL A 97 -10.055 1.085 5.895 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.124 -2.256 6.229 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.551 -1.680 7.515 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.736 -3.627 6.475 1.00 0.00 C ATOM 0 H VAL A 97 -10.342 -2.733 4.107 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.010 -1.209 6.317 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.308 -2.370 5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.813 -2.370 7.926 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.075 -0.722 7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.354 -1.535 8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.983 -4.291 6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.571 -3.533 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.093 -4.041 5.532 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.405 0.097 4.728 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.696 1.344 4.464 1.00 0.00 C ATOM 1503 C LEU A 98 -8.676 2.494 4.256 1.00 0.00 C ATOM 1504 O LEU A 98 -8.463 3.602 4.747 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.800 1.194 3.233 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.712 0.122 3.322 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -5.114 -0.145 1.949 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.629 0.541 4.305 1.00 0.00 C ATOM 0 H LEU A 98 -7.961 -0.732 4.334 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.076 1.571 5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.432 0.972 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.322 2.154 3.037 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.166 -0.800 3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.342 -0.910 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.896 -0.490 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.675 0.773 1.559 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.864 -0.234 4.355 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.178 1.476 3.973 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.069 0.681 5.293 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.753 2.222 3.525 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.752 3.243 3.267 1.00 0.00 C ATOM 1522 C GLY A 99 -11.167 3.979 4.525 1.00 0.00 C ATOM 1523 O GLY A 99 -11.156 5.210 4.566 1.00 0.00 O ATOM 0 H GLY A 99 -9.951 1.313 3.107 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.358 3.958 2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.629 2.782 2.813 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.538 3.225 5.555 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.960 3.814 6.821 1.00 0.00 C ATOM 1529 C HIS A 100 -10.794 4.516 7.510 1.00 0.00 C ATOM 1530 O HIS A 100 -10.929 5.642 7.988 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.537 2.737 7.741 1.00 0.00 C ATOM 1532 CG HIS A 100 -11.514 2.095 8.627 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -10.970 2.724 9.727 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -10.938 0.872 8.571 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -10.102 1.916 10.308 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -10.064 0.785 9.627 1.00 0.00 N ATOM 0 H HIS A 100 -11.555 2.205 5.538 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.732 4.554 6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.316 3.180 8.361 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -13.013 1.968 7.133 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.130 0.107 7.833 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -9.522 2.142 11.190 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -9.481 -0.022 9.849 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.649 3.843 7.557 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.459 4.403 8.187 1.00 0.00 C ATOM 1547 C VAL A 101 -8.189 5.819 7.691 1.00 0.00 C ATOM 1548 O VAL A 101 -7.827 6.702 8.468 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.218 3.531 7.917 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.978 4.163 8.530 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.430 2.123 8.452 1.00 0.00 C ATOM 0 H VAL A 101 -9.520 2.910 7.167 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.651 4.427 9.260 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.068 3.466 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.111 3.533 8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.819 5.149 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.114 4.260 9.607 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.544 1.521 8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.606 2.165 9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.292 1.673 7.960 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.368 6.029 6.391 1.00 0.00 N ATOM 1562 CA ALA A 102 -8.147 7.339 5.790 1.00 0.00 C ATOM 1563 C ALA A 102 -8.830 8.436 6.600 1.00 0.00 C ATOM 1564 O ALA A 102 -8.177 9.354 7.096 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.645 7.352 4.353 1.00 0.00 C ATOM 0 H ALA A 102 -8.666 5.308 5.733 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.075 7.536 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.473 8.336 3.917 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.107 6.601 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.712 7.128 4.336 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.149 8.335 6.729 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.922 9.319 7.478 1.00 0.00 C ATOM 1573 C LYS A 103 -10.510 9.330 8.947 1.00 0.00 C ATOM 1574 O LYS A 103 -10.435 10.387 9.572 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.418 9.020 7.359 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.912 8.953 5.924 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.099 8.015 5.787 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.383 8.663 6.282 1.00 0.00 C ATOM 1579 NZ LYS A 103 -16.590 8.041 5.672 1.00 0.00 N ATOM 0 H LYS A 103 -10.705 7.582 6.324 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.720 10.303 7.055 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.631 8.072 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.977 9.789 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.195 9.951 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.104 8.616 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.216 7.725 4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.910 7.102 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.439 8.576 7.367 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.366 9.728 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -17.444 8.511 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.550 8.146 4.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.621 7.030 5.916 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.243 8.147 9.491 1.00 0.00 N ATOM 1594 CA ALA A 104 -9.835 8.021 10.885 1.00 0.00 C ATOM 1595 C ALA A 104 -8.636 8.912 11.188 1.00 0.00 C ATOM 1596 O ALA A 104 -8.418 9.309 12.332 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.514 6.571 11.212 1.00 0.00 C ATOM 0 H ALA A 104 -10.302 7.262 8.987 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.665 8.348 11.512 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.211 6.492 12.256 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.398 5.956 11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.703 6.225 10.571 1.00 0.00 H new ATOM 1603 N GLY A 105 -7.858 9.223 10.155 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.689 10.064 10.333 1.00 0.00 C ATOM 1605 C GLY A 105 -6.748 11.323 9.491 1.00 0.00 C ATOM 1606 O GLY A 105 -5.725 11.793 8.990 1.00 0.00 O ATOM 0 H GLY A 105 -8.017 8.907 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.598 10.337 11.384 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.795 9.498 10.073 1.00 0.00 H new ATOM 1610 N LEU A 106 -7.947 11.872 9.332 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.136 13.084 8.543 1.00 0.00 C ATOM 1612 C LEU A 106 -7.802 14.325 9.364 1.00 0.00 C ATOM 1613 O LEU A 106 -8.035 14.365 10.571 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.577 13.167 8.036 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.821 12.642 6.620 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.312 12.527 6.344 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.154 13.547 5.594 1.00 0.00 C ATOM 0 H LEU A 106 -8.804 11.497 9.739 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.459 13.042 7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.215 12.612 8.723 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.896 14.209 8.076 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.380 11.648 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.467 12.152 5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.762 11.839 7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.777 13.508 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.338 13.159 4.592 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.565 14.553 5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.080 13.578 5.780 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.255 15.339 8.699 1.00 0.00 N ATOM 1630 CA GLY A 107 -6.900 16.569 9.382 1.00 0.00 C ATOM 1631 C GLY A 107 -5.421 16.645 9.708 1.00 0.00 C ATOM 1632 O GLY A 107 -4.818 17.716 9.645 1.00 0.00 O ATOM 0 H GLY A 107 -7.052 15.330 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.176 17.420 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.477 16.649 10.304 1.00 0.00 H new ATOM 1636 N THR A 108 -4.835 15.505 10.059 1.00 0.00 N ATOM 1637 CA THR A 108 -3.419 15.446 10.398 1.00 0.00 C ATOM 1638 C THR A 108 -2.722 14.310 9.659 1.00 0.00 C ATOM 1639 O THR A 108 -3.365 13.519 8.970 1.00 0.00 O ATOM 1640 CB THR A 108 -3.211 15.261 11.913 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.980 14.147 12.380 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.616 16.516 12.672 1.00 0.00 C ATOM 0 H THR A 108 -5.320 14.609 10.116 1.00 0.00 H new ATOM 0 HA THR A 108 -2.982 16.396 10.092 1.00 0.00 H new ATOM 0 HB THR A 108 -2.152 15.073 12.092 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.841 14.035 13.344 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.460 16.362 13.740 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.010 17.357 12.335 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.668 16.730 12.486 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.403 14.234 9.807 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.620 13.192 9.155 1.00 0.00 C ATOM 1652 C ALA A 109 -1.308 11.836 9.268 1.00 0.00 C ATOM 1653 O ALA A 109 -1.692 11.414 10.358 1.00 0.00 O ATOM 1654 CB ALA A 109 0.777 13.129 9.755 1.00 0.00 C ATOM 0 H ALA A 109 -0.855 14.882 10.373 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.539 13.441 8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.351 12.347 9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.276 14.088 9.617 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.706 12.907 10.820 1.00 0.00 H new ATOM 1660 N MET A 110 -1.462 11.159 8.135 1.00 0.00 N ATOM 1661 CA MET A 110 -2.104 9.850 8.108 1.00 0.00 C ATOM 1662 C MET A 110 -1.268 8.851 7.315 1.00 0.00 C ATOM 1663 O MET A 110 -1.162 7.681 7.687 1.00 0.00 O ATOM 1664 CB MET A 110 -3.504 9.957 7.500 1.00 0.00 C ATOM 1665 CG MET A 110 -3.534 10.692 6.169 1.00 0.00 C ATOM 1666 SD MET A 110 -5.039 10.368 5.231 1.00 0.00 S ATOM 1667 CE MET A 110 -5.998 11.831 5.613 1.00 0.00 C ATOM 0 H MET A 110 -1.151 11.495 7.224 1.00 0.00 H new ATOM 0 HA MET A 110 -2.188 9.493 9.134 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.909 8.954 7.361 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.159 10.470 8.204 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.446 11.764 6.348 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.669 10.396 5.575 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.034 11.548 5.800 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.588 12.313 6.500 1.00 0.00 H new ATOM 0 HE3 MET A 110 -5.957 12.523 4.772 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.676 9.318 6.221 1.00 0.00 N ATOM 1678 CA LEU A 111 0.151 8.464 5.375 1.00 0.00 C ATOM 1679 C LEU A 111 0.906 7.436 6.212 1.00 0.00 C ATOM 1680 O LEU A 111 0.920 6.248 5.889 1.00 0.00 O ATOM 1681 CB LEU A 111 1.141 9.312 4.574 1.00 0.00 C ATOM 1682 CG LEU A 111 0.527 10.308 3.589 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.588 11.262 3.064 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.148 9.574 2.439 1.00 0.00 C ATOM 0 H LEU A 111 -0.753 10.283 5.899 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.505 7.933 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.767 9.864 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.798 8.642 4.020 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.229 10.891 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.133 11.963 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.026 11.813 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.367 10.695 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.579 10.298 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.588 8.965 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -0.937 8.932 2.830 1.00 0.00 H new ATOM 1696 N TYR A 112 1.531 7.901 7.288 1.00 0.00 N ATOM 1697 CA TYR A 112 2.288 7.022 8.171 1.00 0.00 C ATOM 1698 C TYR A 112 1.415 5.882 8.685 1.00 0.00 C ATOM 1699 O TYR A 112 1.767 4.710 8.558 1.00 0.00 O ATOM 1700 CB TYR A 112 2.857 7.815 9.349 1.00 0.00 C ATOM 1701 CG TYR A 112 3.782 7.007 10.232 1.00 0.00 C ATOM 1702 CD1 TYR A 112 3.287 6.280 11.308 1.00 0.00 C ATOM 1703 CD2 TYR A 112 5.149 6.972 9.991 1.00 0.00 C ATOM 1704 CE1 TYR A 112 4.129 5.542 12.118 1.00 0.00 C ATOM 1705 CE2 TYR A 112 5.998 6.235 10.794 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.483 5.523 11.857 1.00 0.00 C ATOM 1707 OH TYR A 112 6.324 4.787 12.660 1.00 0.00 O ATOM 0 H TYR A 112 1.528 8.881 7.570 1.00 0.00 H new ATOM 0 HA TYR A 112 3.111 6.595 7.598 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.398 8.681 8.966 1.00 0.00 H new ATOM 0 HB3 TYR A 112 2.033 8.195 9.952 1.00 0.00 H new ATOM 0 HD1 TYR A 112 2.227 6.292 11.515 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.556 7.531 9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.729 4.983 12.951 1.00 0.00 H new ATOM 0 HE2 TYR A 112 7.059 6.217 10.591 1.00 0.00 H new ATOM 0 HH TYR A 112 7.246 4.879 12.340 1.00 0.00 H new ATOM 1717 N GLU A 113 0.273 6.236 9.266 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.652 5.243 9.800 1.00 0.00 C ATOM 1719 C GLU A 113 -1.157 4.320 8.695 1.00 0.00 C ATOM 1720 O GLU A 113 -1.017 3.099 8.777 1.00 0.00 O ATOM 1721 CB GLU A 113 -1.834 5.930 10.486 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.465 5.100 11.591 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.867 5.559 11.938 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.805 5.231 11.181 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -4.028 6.247 12.968 1.00 0.00 O ATOM 0 H GLU A 113 -0.034 7.202 9.379 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.115 4.642 10.534 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.499 6.880 10.903 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.593 6.160 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.495 4.055 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.839 5.152 12.482 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.746 4.912 7.661 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.273 4.145 6.538 1.00 0.00 C ATOM 1734 C LEU A 114 -1.277 3.081 6.090 1.00 0.00 C ATOM 1735 O LEU A 114 -1.639 1.920 5.893 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.604 5.075 5.370 1.00 0.00 C ATOM 1737 CG LEU A 114 -4.006 5.684 5.373 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -4.064 6.895 4.454 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.039 4.647 4.957 1.00 0.00 C ATOM 0 H LEU A 114 -1.870 5.921 7.578 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.185 3.647 6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.877 5.887 5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.473 4.520 4.441 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.237 6.011 6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.070 7.315 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.352 7.646 4.796 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.812 6.593 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.031 5.098 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.811 4.289 3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.016 3.810 5.655 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.020 3.483 5.933 1.00 0.00 N ATOM 1752 CA ILE A 115 1.029 2.563 5.511 1.00 0.00 C ATOM 1753 C ILE A 115 1.184 1.415 6.502 1.00 0.00 C ATOM 1754 O ILE A 115 1.274 0.252 6.110 1.00 0.00 O ATOM 1755 CB ILE A 115 2.382 3.283 5.362 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.281 4.393 4.313 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.472 2.290 4.986 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.210 5.558 4.574 1.00 0.00 C ATOM 0 H ILE A 115 0.297 4.440 6.092 1.00 0.00 H new ATOM 0 HA ILE A 115 0.729 2.165 4.541 1.00 0.00 H new ATOM 0 HB ILE A 115 2.643 3.735 6.319 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.503 3.975 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.254 4.758 4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.422 2.814 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.557 1.531 5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.218 1.812 4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.084 6.306 3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 115 2.974 6.002 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.242 5.207 4.578 1.00 0.00 H new ATOM 1770 N GLU A 116 1.212 1.750 7.788 1.00 0.00 N ATOM 1771 CA GLU A 116 1.355 0.745 8.836 1.00 0.00 C ATOM 1772 C GLU A 116 0.260 -0.312 8.729 1.00 0.00 C ATOM 1773 O GLU A 116 0.526 -1.511 8.825 1.00 0.00 O ATOM 1774 CB GLU A 116 1.309 1.405 10.216 1.00 0.00 C ATOM 1775 CG GLU A 116 2.565 2.189 10.558 1.00 0.00 C ATOM 1776 CD GLU A 116 3.714 1.295 10.982 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.498 0.421 11.846 1.00 0.00 O ATOM 1778 OE2 GLU A 116 4.829 1.471 10.448 1.00 0.00 O ATOM 0 H GLU A 116 1.138 2.708 8.129 1.00 0.00 H new ATOM 0 HA GLU A 116 2.321 0.257 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.450 2.074 10.261 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.154 0.636 10.972 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.868 2.778 9.692 1.00 0.00 H new ATOM 0 HG3 GLU A 116 2.342 2.893 11.360 1.00 0.00 H new ATOM 1785 N LYS A 117 -0.973 0.140 8.529 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.110 -0.765 8.408 1.00 0.00 C ATOM 1787 C LYS A 117 -1.909 -1.739 7.251 1.00 0.00 C ATOM 1788 O LYS A 117 -1.860 -2.952 7.450 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.401 0.031 8.201 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.658 -0.818 8.283 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.920 -1.291 9.703 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.494 -0.177 10.565 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.185 -0.710 11.772 1.00 0.00 N ATOM 0 H LYS A 117 -1.211 1.129 8.447 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.188 -1.338 9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.456 0.820 8.951 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.365 0.519 7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.512 -0.241 7.927 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.559 -1.680 7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.613 -2.132 9.685 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.991 -1.652 10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.692 0.494 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.196 0.413 9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -6.562 0.080 12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.966 -1.331 11.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.510 -1.252 12.348 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.793 -1.199 6.042 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.598 -2.035 4.872 1.00 0.00 C ATOM 1809 C GLY A 118 -0.766 -3.266 5.171 1.00 0.00 C ATOM 1810 O GLY A 118 -1.113 -4.374 4.762 1.00 0.00 O ATOM 0 H GLY A 118 -1.831 -0.198 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.569 -2.342 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.111 -1.452 4.090 1.00 0.00 H new ATOM 1814 N LYS A 119 0.337 -3.073 5.886 1.00 0.00 N ATOM 1815 CA LYS A 119 1.223 -4.175 6.241 1.00 0.00 C ATOM 1816 C LYS A 119 0.523 -5.156 7.176 1.00 0.00 C ATOM 1817 O LYS A 119 0.604 -6.370 6.990 1.00 0.00 O ATOM 1818 CB LYS A 119 2.495 -3.642 6.903 1.00 0.00 C ATOM 1819 CG LYS A 119 3.457 -2.983 5.930 1.00 0.00 C ATOM 1820 CD LYS A 119 4.636 -2.352 6.652 1.00 0.00 C ATOM 1821 CE LYS A 119 4.272 -0.993 7.230 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.474 -0.251 7.701 1.00 0.00 N ATOM 0 H LYS A 119 0.639 -2.162 6.231 1.00 0.00 H new ATOM 0 HA LYS A 119 1.491 -4.701 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.219 -2.921 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.005 -4.464 7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.820 -3.724 5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.930 -2.220 5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.969 -3.012 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.472 -2.243 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.755 -0.403 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.578 -1.125 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.235 0.289 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.235 -0.925 7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.793 0.402 6.957 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.164 -4.621 8.180 1.00 0.00 N ATOM 1837 CA GLU A 120 -0.879 -5.451 9.144 1.00 0.00 C ATOM 1838 C GLU A 120 -1.994 -6.239 8.462 1.00 0.00 C ATOM 1839 O GLU A 120 -2.106 -7.453 8.634 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.461 -4.586 10.263 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.406 -3.939 11.144 1.00 0.00 C ATOM 1842 CD GLU A 120 0.264 -4.930 12.076 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -0.320 -5.230 13.139 1.00 0.00 O ATOM 1844 OE2 GLU A 120 1.370 -5.404 11.744 1.00 0.00 O ATOM 0 H GLU A 120 -0.241 -3.618 8.348 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.169 -6.158 9.574 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.082 -3.806 9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.113 -5.200 10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.350 -3.470 10.514 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.867 -3.146 11.733 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.817 -5.538 7.688 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.922 -6.171 6.980 1.00 0.00 C ATOM 1853 C ILE A 121 -3.504 -7.517 6.398 1.00 0.00 C ATOM 1854 O ILE A 121 -4.144 -8.540 6.647 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.450 -5.275 5.844 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.933 -3.935 6.405 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.573 -5.976 5.095 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.915 -2.814 5.390 1.00 0.00 C ATOM 0 H ILE A 121 -2.739 -4.532 7.536 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.717 -6.325 7.710 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.637 -5.084 5.144 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.948 -4.054 6.785 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.306 -3.658 7.252 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.936 -5.330 4.295 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.200 -6.907 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.389 -6.194 5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.270 -1.895 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.898 -2.668 5.027 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.565 -3.070 4.553 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.425 -7.510 5.622 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.919 -8.731 5.005 1.00 0.00 C ATOM 1872 C LEU A 122 -1.805 -9.854 6.032 1.00 0.00 C ATOM 1873 O LEU A 122 -2.225 -10.983 5.780 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.555 -8.473 4.362 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.579 -7.883 2.951 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.764 -7.256 2.612 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.943 -8.953 1.932 1.00 0.00 C ATOM 0 H LEU A 122 -1.884 -6.673 5.405 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.626 -9.039 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.007 -7.797 5.007 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.006 -9.414 4.331 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.340 -7.103 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.728 -6.842 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 122 0.984 -6.461 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.544 -8.016 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.955 -8.516 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.206 -9.755 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.929 -9.356 2.164 1.00 0.00 H new ATOM 1889 N SER A 123 -1.237 -9.534 7.190 1.00 0.00 N ATOM 1890 CA SER A 123 -1.067 -10.516 8.255 1.00 0.00 C ATOM 1891 C SER A 123 -1.900 -10.142 9.477 1.00 0.00 C ATOM 1892 O SER A 123 -1.542 -9.240 10.234 1.00 0.00 O ATOM 1893 CB SER A 123 0.408 -10.627 8.644 1.00 0.00 C ATOM 1894 OG SER A 123 0.927 -9.371 9.043 1.00 0.00 O ATOM 0 H SER A 123 -0.887 -8.603 7.415 1.00 0.00 H new ATOM 0 HA SER A 123 -1.411 -11.481 7.884 1.00 0.00 H new ATOM 0 HB2 SER A 123 0.520 -11.345 9.457 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.982 -11.009 7.800 1.00 0.00 H new ATOM 0 HG SER A 123 0.308 -8.947 9.674 1.00 0.00 H new ATOM 1900 N GLY A 124 -3.015 -10.842 9.663 1.00 0.00 N ATOM 1901 CA GLY A 124 -3.882 -10.570 10.794 1.00 0.00 C ATOM 1902 C GLY A 124 -5.332 -10.397 10.385 1.00 0.00 C ATOM 1903 O GLY A 124 -5.640 -9.836 9.334 1.00 0.00 O ATOM 0 H GLY A 124 -3.333 -11.593 9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -3.805 -11.387 11.511 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.541 -9.667 11.301 1.00 0.00 H new ATOM 1907 N PRO A 125 -6.251 -10.890 11.228 1.00 0.00 N ATOM 1908 CA PRO A 125 -7.691 -10.800 10.969 1.00 0.00 C ATOM 1909 C PRO A 125 -8.213 -9.372 11.080 1.00 0.00 C ATOM 1910 O PRO A 125 -8.035 -8.714 12.106 1.00 0.00 O ATOM 1911 CB PRO A 125 -8.304 -11.680 12.063 1.00 0.00 C ATOM 1912 CG PRO A 125 -7.301 -11.667 13.165 1.00 0.00 C ATOM 1913 CD PRO A 125 -5.956 -11.572 12.500 1.00 0.00 C ATOM 0 HA PRO A 125 -7.943 -11.116 9.957 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -9.264 -11.286 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -8.483 -12.693 11.702 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -7.466 -10.822 13.833 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -7.374 -12.571 13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -5.248 -11.005 13.105 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -5.519 -12.557 12.336 1.00 0.00 H new ATOM 1921 N SER A 126 -8.857 -8.898 10.019 1.00 0.00 N ATOM 1922 CA SER A 126 -9.401 -7.545 9.996 1.00 0.00 C ATOM 1923 C SER A 126 -10.449 -7.363 11.090 1.00 0.00 C ATOM 1924 O SER A 126 -11.642 -7.557 10.861 1.00 0.00 O ATOM 1925 CB SER A 126 -10.018 -7.244 8.629 1.00 0.00 C ATOM 1926 OG SER A 126 -9.035 -6.789 7.715 1.00 0.00 O ATOM 0 H SER A 126 -9.015 -9.431 9.164 1.00 0.00 H new ATOM 0 HA SER A 126 -8.583 -6.848 10.179 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.496 -8.142 8.237 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.797 -6.489 8.736 1.00 0.00 H new ATOM 0 HG SER A 126 -9.454 -6.605 6.848 1.00 0.00 H new ATOM 1932 N SER A 127 -9.992 -6.988 12.281 1.00 0.00 N ATOM 1933 CA SER A 127 -10.888 -6.783 13.413 1.00 0.00 C ATOM 1934 C SER A 127 -12.086 -5.928 13.010 1.00 0.00 C ATOM 1935 O SER A 127 -13.225 -6.229 13.363 1.00 0.00 O ATOM 1936 CB SER A 127 -10.139 -6.119 14.570 1.00 0.00 C ATOM 1937 OG SER A 127 -9.618 -4.859 14.184 1.00 0.00 O ATOM 0 H SER A 127 -9.007 -6.820 12.487 1.00 0.00 H new ATOM 0 HA SER A 127 -11.252 -7.758 13.737 1.00 0.00 H new ATOM 0 HB2 SER A 127 -10.812 -5.993 15.418 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.327 -6.766 14.900 1.00 0.00 H new ATOM 0 HG SER A 127 -9.145 -4.454 14.941 1.00 0.00 H new ATOM 1943 N GLY A 128 -11.818 -4.858 12.268 1.00 0.00 N ATOM 1944 CA GLY A 128 -12.882 -3.974 11.828 1.00 0.00 C ATOM 1945 C GLY A 128 -12.879 -3.765 10.327 1.00 0.00 C ATOM 1946 O GLY A 128 -12.933 -4.726 9.560 1.00 0.00 O ATOM 0 H GLY A 128 -10.883 -4.587 11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -13.843 -4.388 12.132 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -12.778 -3.010 12.326 1.00 0.00 H new TER 1950 GLY A 128