USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 772 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 79 GLN : amide:sc= 1.09 X(o=2.5,f=2.1) USER MOD Set 1.2: A 80 TYR OH : rot 148:sc= 1.41 USER MOD Set 2.1: A 29 SER OG : rot 59:sc= 2.34 USER MOD Set 2.2: A 66 TYR OH : rot 169:sc= 1.2 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.737 K(o=1,f=-5.2!) USER MOD Set 3.2: A 21 SER OG : rot -140:sc= 0.259 USER MOD Single : A 15 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.66) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00138 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl 142:sc= -7.25! (180deg=-10.8!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 56:sc= -6.48! USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0.446 (180deg=0.423) USER MOD Single : A 69 ASN : amide:sc= -0.888 K(o=-0.89,f=-5.1!) USER MOD Single : A 70 THR OG1 : rot 150:sc= 0 USER MOD Single : A 78 THR OG1 : rot 73:sc= 0.446 USER MOD Single : A 81 ASN :FLIP amide:sc= -2.68! C(o=-5.4!,f=-2.7!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 115:sc= 1.22 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0.149 K(o=0.15,f=-7.3!) USER MOD Single : A 97 LYS NZ :NH3+ -119:sc= 0.141 (180deg=-0.631) USER MOD Single : A 99 SER OG : rot 46:sc= 0.604 USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= -1.06 (180deg=-1.37) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 67:sc= 0.274 USER MOD Single : A 112 SER OG : rot 78:sc= 0.221 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 60:sc= -0.609 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -3.290 -4.194 -10.178 1.00 0.00 N ATOM 2 CA VAL A 14 -4.519 -3.396 -9.976 1.00 0.00 C ATOM 3 C VAL A 14 -4.435 -1.981 -10.562 1.00 0.00 C ATOM 4 O VAL A 14 -5.462 -1.387 -10.894 1.00 0.00 O ATOM 5 CB VAL A 14 -4.862 -3.383 -8.467 1.00 0.00 C ATOM 6 CG1 VAL A 14 -4.068 -2.370 -7.621 1.00 0.00 C ATOM 7 CG2 VAL A 14 -6.366 -3.222 -8.269 1.00 0.00 C ATOM 0 HA VAL A 14 -5.327 -3.872 -10.531 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.542 -4.353 -8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.382 -2.440 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.003 -2.590 -7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.256 -1.362 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.594 -3.214 -7.203 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.694 -2.284 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.887 -4.053 -8.745 1.00 0.00 H new ATOM 17 N GLN A 15 -3.216 -1.438 -10.554 1.00 0.00 N ATOM 18 CA GLN A 15 -2.858 -0.027 -10.853 1.00 0.00 C ATOM 19 C GLN A 15 -3.343 0.976 -9.800 1.00 0.00 C ATOM 20 O GLN A 15 -2.576 1.773 -9.269 1.00 0.00 O ATOM 21 CB GLN A 15 -3.260 0.414 -12.272 1.00 0.00 C ATOM 22 CG GLN A 15 -2.462 -0.254 -13.390 1.00 0.00 C ATOM 23 CD GLN A 15 -2.679 -1.775 -13.473 1.00 0.00 C ATOM 24 OE1 GLN A 15 -1.822 -2.578 -13.139 1.00 0.00 O ATOM 25 NE2 GLN A 15 -3.846 -2.205 -13.885 1.00 0.00 N ATOM 0 H GLN A 15 -2.393 -1.996 -10.326 1.00 0.00 H new ATOM 0 HA GLN A 15 -1.769 -0.015 -10.808 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.318 0.200 -12.420 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -3.139 1.494 -12.351 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.739 0.197 -14.343 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.401 -0.054 -13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.565 -1.538 -14.165 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -4.035 -3.206 -13.926 1.00 0.00 H new ATOM 34 N ASP A 16 -4.618 0.855 -9.476 1.00 0.00 N ATOM 35 CA ASP A 16 -5.329 1.669 -8.469 1.00 0.00 C ATOM 36 C ASP A 16 -6.469 0.849 -7.861 1.00 0.00 C ATOM 37 O ASP A 16 -7.430 0.467 -8.534 1.00 0.00 O ATOM 38 CB ASP A 16 -5.883 2.959 -9.090 1.00 0.00 C ATOM 39 CG ASP A 16 -4.841 3.753 -9.888 1.00 0.00 C ATOM 40 OD1 ASP A 16 -4.184 4.643 -9.301 1.00 0.00 O ATOM 41 OD2 ASP A 16 -4.734 3.457 -11.101 1.00 0.00 O ATOM 0 H ASP A 16 -5.223 0.163 -9.917 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.621 1.948 -7.688 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.717 2.708 -9.746 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.281 3.592 -8.297 1.00 0.00 H new ATOM 47 N VAL A 17 -6.280 0.501 -6.594 1.00 0.00 N ATOM 48 CA VAL A 17 -7.289 -0.246 -5.830 1.00 0.00 C ATOM 49 C VAL A 17 -8.265 0.747 -5.186 1.00 0.00 C ATOM 50 O VAL A 17 -7.908 1.858 -4.802 1.00 0.00 O ATOM 51 CB VAL A 17 -6.618 -1.276 -4.895 1.00 0.00 C ATOM 52 CG1 VAL A 17 -5.836 -0.694 -3.718 1.00 0.00 C ATOM 53 CG2 VAL A 17 -7.636 -2.281 -4.352 1.00 0.00 C ATOM 0 H VAL A 17 -5.436 0.722 -6.066 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.908 -0.870 -6.475 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.887 -1.762 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.408 -1.505 -3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.036 -0.056 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.506 -0.105 -3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.132 -2.992 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.405 -1.752 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.097 -2.816 -5.182 1.00 0.00 H new ATOM 63 N ASN A 18 -9.537 0.385 -5.346 1.00 0.00 N ATOM 64 CA ASN A 18 -10.705 1.202 -4.980 1.00 0.00 C ATOM 65 C ASN A 18 -11.818 0.307 -4.422 1.00 0.00 C ATOM 66 O ASN A 18 -11.695 -0.915 -4.486 1.00 0.00 O ATOM 67 CB ASN A 18 -11.166 1.971 -6.229 1.00 0.00 C ATOM 68 CG ASN A 18 -11.510 1.068 -7.425 1.00 0.00 C ATOM 69 OD1 ASN A 18 -12.342 0.174 -7.359 1.00 0.00 O ATOM 70 ND2 ASN A 18 -10.834 1.283 -8.535 1.00 0.00 N ATOM 0 H ASN A 18 -9.797 -0.516 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.445 1.917 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.041 2.568 -5.973 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.381 2.667 -6.526 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.001 0.700 -9.355 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.143 2.033 -8.574 1.00 0.00 H new ATOM 77 N ASP A 19 -12.976 0.890 -4.130 1.00 0.00 N ATOM 78 CA ASP A 19 -14.141 0.153 -3.570 1.00 0.00 C ATOM 79 C ASP A 19 -14.559 -1.096 -4.366 1.00 0.00 C ATOM 80 O ASP A 19 -14.562 -2.197 -3.812 1.00 0.00 O ATOM 81 CB ASP A 19 -15.334 1.090 -3.389 1.00 0.00 C ATOM 82 CG ASP A 19 -15.163 2.006 -2.174 1.00 0.00 C ATOM 83 OD1 ASP A 19 -14.356 2.959 -2.284 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.836 1.750 -1.153 1.00 0.00 O ATOM 0 H ASP A 19 -13.150 1.885 -4.269 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.804 -0.218 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.458 1.697 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.244 0.501 -3.274 1.00 0.00 H new ATOM 90 N SER A 20 -14.660 -0.941 -5.681 1.00 0.00 N ATOM 91 CA SER A 20 -15.038 -2.022 -6.616 1.00 0.00 C ATOM 92 C SER A 20 -13.990 -3.139 -6.642 1.00 0.00 C ATOM 93 O SER A 20 -14.302 -4.298 -6.359 1.00 0.00 O ATOM 94 CB SER A 20 -15.229 -1.447 -8.022 1.00 0.00 C ATOM 95 OG SER A 20 -16.015 -0.259 -7.955 1.00 0.00 O ATOM 0 H SER A 20 -14.481 -0.051 -6.146 1.00 0.00 H new ATOM 0 HA SER A 20 -15.975 -2.456 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.260 -1.228 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.717 -2.182 -8.662 1.00 0.00 H new ATOM 0 HG SER A 20 -16.133 0.106 -8.857 1.00 0.00 H new ATOM 101 N SER A 21 -12.724 -2.762 -6.822 1.00 0.00 N ATOM 102 CA SER A 21 -11.609 -3.738 -6.820 1.00 0.00 C ATOM 103 C SER A 21 -11.248 -4.325 -5.446 1.00 0.00 C ATOM 104 O SER A 21 -10.846 -5.484 -5.387 1.00 0.00 O ATOM 105 CB SER A 21 -10.332 -3.260 -7.497 1.00 0.00 C ATOM 106 OG SER A 21 -9.938 -1.962 -7.038 1.00 0.00 O ATOM 0 H SER A 21 -12.435 -1.795 -6.971 1.00 0.00 H new ATOM 0 HA SER A 21 -12.042 -4.535 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.530 -3.972 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.481 -3.234 -8.576 1.00 0.00 H new ATOM 0 HG SER A 21 -9.607 -1.434 -7.794 1.00 0.00 H new ATOM 112 N TRP A 22 -11.572 -3.619 -4.367 1.00 0.00 N ATOM 113 CA TRP A 22 -11.234 -3.998 -2.979 1.00 0.00 C ATOM 114 C TRP A 22 -11.583 -5.451 -2.636 1.00 0.00 C ATOM 115 O TRP A 22 -10.711 -6.310 -2.496 1.00 0.00 O ATOM 116 CB TRP A 22 -11.934 -2.994 -2.061 1.00 0.00 C ATOM 117 CG TRP A 22 -11.425 -3.125 -0.631 1.00 0.00 C ATOM 118 CD1 TRP A 22 -12.036 -3.781 0.350 1.00 0.00 C ATOM 119 CD2 TRP A 22 -10.179 -2.741 -0.168 1.00 0.00 C ATOM 120 NE1 TRP A 22 -11.246 -3.847 1.416 1.00 0.00 N ATOM 121 CE2 TRP A 22 -10.095 -3.242 1.141 1.00 0.00 C ATOM 122 CE3 TRP A 22 -9.083 -2.089 -0.771 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.890 -3.110 1.873 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.880 -1.971 -0.055 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.784 -2.478 1.263 1.00 0.00 C ATOM 0 H TRP A 22 -12.091 -2.743 -4.424 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.153 -3.957 -2.843 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.760 -1.981 -2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -13.011 -3.161 -2.086 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -13.030 -4.199 0.289 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.484 -4.291 2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.168 -1.686 -1.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.818 -3.487 2.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.026 -1.492 -0.511 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.856 -2.381 1.807 1.00 0.00 H new ATOM 136 N LYS A 23 -12.857 -5.758 -2.811 1.00 0.00 N ATOM 137 CA LYS A 23 -13.394 -7.090 -2.466 1.00 0.00 C ATOM 138 C LYS A 23 -12.988 -8.242 -3.381 1.00 0.00 C ATOM 139 O LYS A 23 -12.734 -9.350 -2.916 1.00 0.00 O ATOM 140 CB LYS A 23 -14.909 -7.010 -2.255 1.00 0.00 C ATOM 141 CG LYS A 23 -15.108 -6.166 -0.993 1.00 0.00 C ATOM 142 CD LYS A 23 -16.577 -5.903 -0.740 1.00 0.00 C ATOM 143 CE LYS A 23 -16.707 -4.874 0.377 1.00 0.00 C ATOM 144 NZ LYS A 23 -18.135 -4.679 0.608 1.00 0.00 N ATOM 0 H LYS A 23 -13.550 -5.112 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.909 -7.359 -1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -15.400 -6.552 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -15.340 -8.004 -2.133 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.674 -6.681 -0.135 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.578 -5.219 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -17.057 -5.537 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.083 -6.827 -0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.213 -5.223 1.284 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.229 -3.936 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.272 -3.981 1.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.584 -4.335 -0.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.568 -5.582 0.887 1.00 0.00 H new ATOM 158 N GLU A 24 -12.757 -7.924 -4.650 1.00 0.00 N ATOM 159 CA GLU A 24 -12.318 -8.929 -5.636 1.00 0.00 C ATOM 160 C GLU A 24 -10.786 -9.117 -5.696 1.00 0.00 C ATOM 161 O GLU A 24 -10.317 -10.247 -5.774 1.00 0.00 O ATOM 162 CB GLU A 24 -12.926 -8.654 -7.014 1.00 0.00 C ATOM 163 CG GLU A 24 -12.600 -7.246 -7.513 1.00 0.00 C ATOM 164 CD GLU A 24 -13.045 -6.965 -8.963 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.431 -5.799 -9.205 1.00 0.00 O ATOM 166 OE2 GLU A 24 -12.957 -7.893 -9.798 1.00 0.00 O ATOM 0 H GLU A 24 -12.864 -6.983 -5.028 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.703 -9.887 -5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.552 -9.387 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.008 -8.780 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.075 -6.521 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.524 -7.087 -7.439 1.00 0.00 H new ATOM 174 N PHE A 25 -10.038 -8.025 -5.588 1.00 0.00 N ATOM 175 CA PHE A 25 -8.559 -8.055 -5.647 1.00 0.00 C ATOM 176 C PHE A 25 -7.866 -8.276 -4.302 1.00 0.00 C ATOM 177 O PHE A 25 -7.428 -9.387 -4.024 1.00 0.00 O ATOM 178 CB PHE A 25 -8.044 -6.802 -6.347 1.00 0.00 C ATOM 179 CG PHE A 25 -7.990 -6.958 -7.875 1.00 0.00 C ATOM 180 CD1 PHE A 25 -9.099 -6.563 -8.659 1.00 0.00 C ATOM 181 CD2 PHE A 25 -6.760 -7.265 -8.479 1.00 0.00 C ATOM 182 CE1 PHE A 25 -8.965 -6.435 -10.060 1.00 0.00 C ATOM 183 CE2 PHE A 25 -6.603 -7.140 -9.880 1.00 0.00 C ATOM 184 CZ PHE A 25 -7.710 -6.723 -10.654 1.00 0.00 C ATOM 0 H PHE A 25 -10.426 -7.091 -5.457 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.296 -8.938 -6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.687 -5.959 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.047 -6.566 -5.974 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.049 -6.359 -8.187 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.931 -7.598 -7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.802 -6.124 -10.667 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.655 -7.359 -10.349 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.597 -6.621 -11.723 1.00 0.00 H new ATOM 194 N VAL A 26 -8.199 -7.394 -3.375 1.00 0.00 N ATOM 195 CA VAL A 26 -7.564 -7.391 -2.033 1.00 0.00 C ATOM 196 C VAL A 26 -8.102 -8.577 -1.233 1.00 0.00 C ATOM 197 O VAL A 26 -7.381 -9.559 -1.055 1.00 0.00 O ATOM 198 CB VAL A 26 -7.719 -6.039 -1.296 1.00 0.00 C ATOM 199 CG1 VAL A 26 -7.225 -6.077 0.159 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.963 -4.949 -2.051 1.00 0.00 C ATOM 0 H VAL A 26 -8.901 -6.666 -3.509 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.487 -7.508 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.787 -5.824 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.363 -5.097 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.794 -6.821 0.717 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.167 -6.340 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.075 -3.999 -1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.906 -5.210 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.367 -4.858 -3.059 1.00 0.00 H new ATOM 210 N LEU A 27 -9.419 -8.577 -1.051 1.00 0.00 N ATOM 211 CA LEU A 27 -10.093 -9.659 -0.306 1.00 0.00 C ATOM 212 C LEU A 27 -9.919 -11.035 -0.962 1.00 0.00 C ATOM 213 O LEU A 27 -9.710 -12.025 -0.272 1.00 0.00 O ATOM 214 CB LEU A 27 -11.582 -9.348 -0.076 1.00 0.00 C ATOM 215 CG LEU A 27 -11.934 -8.564 1.202 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.945 -9.498 2.411 1.00 0.00 C ATOM 217 CD2 LEU A 27 -11.088 -7.305 1.416 1.00 0.00 C ATOM 0 H LEU A 27 -10.044 -7.851 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.599 -9.706 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.948 -8.784 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -12.128 -10.291 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.943 -8.174 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.195 -8.930 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.687 -10.282 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.960 -9.950 2.531 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.398 -6.810 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.036 -7.581 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.227 -6.626 0.575 1.00 0.00 H new ATOM 229 N GLU A 28 -9.827 -11.028 -2.292 1.00 0.00 N ATOM 230 CA GLU A 28 -9.679 -12.290 -3.036 1.00 0.00 C ATOM 231 C GLU A 28 -8.381 -12.428 -3.861 1.00 0.00 C ATOM 232 O GLU A 28 -8.380 -12.493 -5.091 1.00 0.00 O ATOM 233 CB GLU A 28 -10.942 -12.607 -3.844 1.00 0.00 C ATOM 234 CG GLU A 28 -12.144 -12.954 -2.954 1.00 0.00 C ATOM 235 CD GLU A 28 -11.924 -14.167 -2.045 1.00 0.00 C ATOM 236 OE1 GLU A 28 -11.295 -15.149 -2.504 1.00 0.00 O ATOM 237 OE2 GLU A 28 -12.483 -14.125 -0.920 1.00 0.00 O ATOM 0 H GLU A 28 -9.851 -10.188 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.564 -13.060 -2.273 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.193 -11.750 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.739 -13.442 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.385 -12.090 -2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.009 -13.143 -3.589 1.00 0.00 H new ATOM 245 N SER A 29 -7.261 -12.389 -3.138 1.00 0.00 N ATOM 246 CA SER A 29 -5.956 -12.817 -3.671 1.00 0.00 C ATOM 247 C SER A 29 -5.545 -14.164 -3.073 1.00 0.00 C ATOM 248 O SER A 29 -4.721 -14.895 -3.618 1.00 0.00 O ATOM 249 CB SER A 29 -4.894 -11.764 -3.368 1.00 0.00 C ATOM 250 OG SER A 29 -5.132 -10.549 -4.083 1.00 0.00 O ATOM 0 H SER A 29 -7.227 -12.063 -2.172 1.00 0.00 H new ATOM 0 HA SER A 29 -6.045 -12.931 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.880 -11.559 -2.298 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.910 -12.154 -3.631 1.00 0.00 H new ATOM 0 HG SER A 29 -6.013 -10.194 -3.841 1.00 0.00 H new ATOM 256 N GLU A 30 -6.129 -14.431 -1.903 1.00 0.00 N ATOM 257 CA GLU A 30 -5.946 -15.618 -1.031 1.00 0.00 C ATOM 258 C GLU A 30 -4.518 -15.855 -0.534 1.00 0.00 C ATOM 259 O GLU A 30 -4.244 -16.790 0.225 1.00 0.00 O ATOM 260 CB GLU A 30 -6.537 -16.877 -1.684 1.00 0.00 C ATOM 261 CG GLU A 30 -8.073 -16.829 -1.792 1.00 0.00 C ATOM 262 CD GLU A 30 -8.759 -16.755 -0.428 1.00 0.00 C ATOM 263 OE1 GLU A 30 -8.832 -17.805 0.245 1.00 0.00 O ATOM 264 OE2 GLU A 30 -9.144 -15.632 -0.033 1.00 0.00 O ATOM 0 H GLU A 30 -6.798 -13.776 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.506 -15.388 -0.125 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.111 -16.998 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.245 -17.753 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.364 -15.964 -2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.424 -17.714 -2.323 1.00 0.00 H new ATOM 272 N VAL A 31 -3.717 -14.814 -0.742 1.00 0.00 N ATOM 273 CA VAL A 31 -2.278 -14.728 -0.442 1.00 0.00 C ATOM 274 C VAL A 31 -2.038 -13.494 0.461 1.00 0.00 C ATOM 275 O VAL A 31 -2.924 -12.628 0.490 1.00 0.00 O ATOM 276 CB VAL A 31 -1.510 -14.622 -1.791 1.00 0.00 C ATOM 277 CG1 VAL A 31 -1.704 -15.885 -2.629 1.00 0.00 C ATOM 278 CG2 VAL A 31 -1.852 -13.373 -2.604 1.00 0.00 C ATOM 0 H VAL A 31 -4.071 -13.949 -1.150 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.919 -15.609 0.090 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.457 -14.525 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.158 -15.787 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.328 -16.748 -2.079 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.765 -16.023 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.276 -13.372 -3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.916 -13.372 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.608 -12.483 -2.024 1.00 0.00 H new ATOM 288 N PRO A 32 -0.867 -13.346 1.116 1.00 0.00 N ATOM 289 CA PRO A 32 -0.546 -12.113 1.865 1.00 0.00 C ATOM 290 C PRO A 32 -0.675 -10.897 0.943 1.00 0.00 C ATOM 291 O PRO A 32 -0.156 -10.858 -0.172 1.00 0.00 O ATOM 292 CB PRO A 32 0.901 -12.312 2.331 1.00 0.00 C ATOM 293 CG PRO A 32 1.005 -13.821 2.486 1.00 0.00 C ATOM 294 CD PRO A 32 0.179 -14.359 1.322 1.00 0.00 C ATOM 0 HA PRO A 32 -1.217 -11.935 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.616 -11.931 1.602 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.097 -11.795 3.270 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.040 -14.159 2.433 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.610 -14.154 3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.789 -14.488 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.251 -15.332 1.557 1.00 0.00 H new ATOM 302 N VAL A 33 -1.529 -9.980 1.389 1.00 0.00 N ATOM 303 CA VAL A 33 -1.884 -8.755 0.636 1.00 0.00 C ATOM 304 C VAL A 33 -1.336 -7.514 1.353 1.00 0.00 C ATOM 305 O VAL A 33 -1.473 -7.352 2.564 1.00 0.00 O ATOM 306 CB VAL A 33 -3.411 -8.720 0.441 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.950 -7.373 -0.056 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.895 -9.821 -0.500 1.00 0.00 C ATOM 0 H VAL A 33 -2.004 -10.056 2.288 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.424 -8.760 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.809 -8.886 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.033 -7.433 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.702 -6.594 0.664 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.499 -7.134 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.978 -9.758 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.425 -9.698 -1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.628 -10.794 -0.089 1.00 0.00 H new ATOM 318 N MET A 34 -0.866 -6.617 0.496 1.00 0.00 N ATOM 319 CA MET A 34 -0.287 -5.323 0.888 1.00 0.00 C ATOM 320 C MET A 34 -1.018 -4.184 0.182 1.00 0.00 C ATOM 321 O MET A 34 -1.005 -4.083 -1.042 1.00 0.00 O ATOM 322 CB MET A 34 1.179 -5.326 0.486 1.00 0.00 C ATOM 323 CG MET A 34 1.853 -3.992 0.832 1.00 0.00 C ATOM 324 SD MET A 34 3.669 -4.005 0.617 1.00 0.00 S ATOM 325 CE MET A 34 4.106 -5.242 1.814 1.00 0.00 C ATOM 0 H MET A 34 -0.873 -6.764 -0.513 1.00 0.00 H new ATOM 0 HA MET A 34 -0.386 -5.176 1.963 1.00 0.00 H new ATOM 0 HB2 MET A 34 1.696 -6.140 0.994 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.265 -5.513 -0.584 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.428 -3.208 0.206 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.621 -3.736 1.866 1.00 0.00 H new ATOM 0 HE1 MET A 34 4.921 -5.852 1.426 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.423 -4.758 2.738 1.00 0.00 H new ATOM 0 HE3 MET A 34 3.242 -5.876 2.014 1.00 0.00 H new ATOM 335 N VAL A 35 -1.524 -3.282 1.002 1.00 0.00 N ATOM 336 CA VAL A 35 -2.216 -2.082 0.472 1.00 0.00 C ATOM 337 C VAL A 35 -1.638 -0.786 1.045 1.00 0.00 C ATOM 338 O VAL A 35 -1.724 -0.539 2.252 1.00 0.00 O ATOM 339 CB VAL A 35 -3.725 -2.138 0.685 1.00 0.00 C ATOM 340 CG1 VAL A 35 -4.398 -1.083 -0.194 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.332 -3.474 0.243 1.00 0.00 C ATOM 0 H VAL A 35 -1.480 -3.338 2.020 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.037 -2.083 -0.603 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.888 -1.984 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.477 -1.120 -0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.028 -0.094 0.076 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.170 -1.282 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.408 -3.460 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.138 -3.629 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.883 -4.285 0.816 1.00 0.00 H new ATOM 351 N ASP A 36 -1.084 0.023 0.149 1.00 0.00 N ATOM 352 CA ASP A 36 -0.611 1.376 0.501 1.00 0.00 C ATOM 353 C ASP A 36 -1.699 2.416 0.275 1.00 0.00 C ATOM 354 O ASP A 36 -2.265 2.499 -0.815 1.00 0.00 O ATOM 355 CB ASP A 36 0.628 1.801 -0.300 1.00 0.00 C ATOM 356 CG ASP A 36 0.459 1.877 -1.814 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.284 0.803 -2.415 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.525 3.011 -2.338 1.00 0.00 O ATOM 0 H ASP A 36 -0.947 -0.226 -0.831 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.346 1.326 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.948 2.779 0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.434 1.101 -0.080 1.00 0.00 H new ATOM 364 N PHE A 37 -1.910 3.232 1.296 1.00 0.00 N ATOM 365 CA PHE A 37 -2.882 4.336 1.230 1.00 0.00 C ATOM 366 C PHE A 37 -2.149 5.653 1.076 1.00 0.00 C ATOM 367 O PHE A 37 -1.570 6.198 2.019 1.00 0.00 O ATOM 368 CB PHE A 37 -3.795 4.432 2.466 1.00 0.00 C ATOM 369 CG PHE A 37 -4.778 3.266 2.601 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.346 1.920 2.608 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.149 3.582 2.644 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.300 0.880 2.602 1.00 0.00 C ATOM 373 CE2 PHE A 37 -7.102 2.550 2.661 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.674 1.205 2.625 1.00 0.00 C ATOM 0 H PHE A 37 -1.423 3.158 2.189 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.517 4.126 0.370 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.175 4.478 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.357 5.365 2.419 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.291 1.689 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.467 4.614 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.983 -0.152 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.156 2.784 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.408 0.413 2.615 1.00 0.00 H new ATOM 384 N TRP A 38 -2.164 6.098 -0.165 1.00 0.00 N ATOM 385 CA TRP A 38 -1.492 7.325 -0.575 1.00 0.00 C ATOM 386 C TRP A 38 -2.530 8.355 -1.057 1.00 0.00 C ATOM 387 O TRP A 38 -3.667 8.020 -1.421 1.00 0.00 O ATOM 388 CB TRP A 38 -0.428 7.008 -1.629 1.00 0.00 C ATOM 389 CG TRP A 38 -1.008 6.766 -3.015 1.00 0.00 C ATOM 390 CD1 TRP A 38 -1.832 5.771 -3.324 1.00 0.00 C ATOM 391 CD2 TRP A 38 -1.096 7.703 -4.027 1.00 0.00 C ATOM 392 NE1 TRP A 38 -2.405 5.983 -4.498 1.00 0.00 N ATOM 393 CE2 TRP A 38 -2.046 7.188 -4.932 1.00 0.00 C ATOM 394 CE3 TRP A 38 -0.653 9.043 -4.139 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -2.604 8.013 -5.925 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -1.186 9.856 -5.141 1.00 0.00 C ATOM 397 CH2 TRP A 38 -2.153 9.349 -6.039 1.00 0.00 C ATOM 0 H TRP A 38 -2.645 5.618 -0.926 1.00 0.00 H new ATOM 0 HA TRP A 38 -0.974 7.772 0.273 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.282 7.834 -1.679 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.131 6.126 -1.317 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.010 4.906 -2.702 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.019 5.332 -4.988 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.089 9.432 -3.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -3.365 7.632 -6.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.857 10.881 -5.231 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.550 9.985 -6.816 1.00 0.00 H new ATOM 408 N ALA A 39 -2.112 9.613 -1.068 1.00 0.00 N ATOM 409 CA ALA A 39 -3.009 10.741 -1.365 1.00 0.00 C ATOM 410 C ALA A 39 -2.298 11.718 -2.308 1.00 0.00 C ATOM 411 O ALA A 39 -1.133 12.022 -2.078 1.00 0.00 O ATOM 412 CB ALA A 39 -3.409 11.392 -0.045 1.00 0.00 C ATOM 0 H ALA A 39 -1.149 9.888 -0.874 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.916 10.408 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.075 12.232 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.921 10.661 0.581 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.517 11.749 0.470 1.00 0.00 H new ATOM 418 N PRO A 40 -2.971 12.167 -3.371 1.00 0.00 N ATOM 419 CA PRO A 40 -2.373 13.111 -4.352 1.00 0.00 C ATOM 420 C PRO A 40 -1.960 14.456 -3.750 1.00 0.00 C ATOM 421 O PRO A 40 -0.955 15.043 -4.139 1.00 0.00 O ATOM 422 CB PRO A 40 -3.421 13.238 -5.463 1.00 0.00 C ATOM 423 CG PRO A 40 -4.743 12.868 -4.793 1.00 0.00 C ATOM 424 CD PRO A 40 -4.355 11.802 -3.759 1.00 0.00 C ATOM 0 HA PRO A 40 -1.425 12.731 -4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.451 14.251 -5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.198 12.571 -6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.205 13.734 -4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.461 12.480 -5.516 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.027 11.815 -2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.399 10.799 -4.184 1.00 0.00 H new ATOM 557 N ALA A 49 4.400 4.632 -2.929 1.00 0.00 N ATOM 558 CA ALA A 49 3.899 3.743 -3.999 1.00 0.00 C ATOM 559 C ALA A 49 4.979 2.895 -4.708 1.00 0.00 C ATOM 560 O ALA A 49 4.889 1.667 -4.646 1.00 0.00 O ATOM 561 CB ALA A 49 2.894 4.463 -4.918 1.00 0.00 C ATOM 0 HA ALA A 49 3.321 2.964 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.550 3.775 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.042 4.803 -4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.378 5.321 -5.385 1.00 0.00 H new ATOM 567 N PRO A 50 6.091 3.502 -5.150 1.00 0.00 N ATOM 568 CA PRO A 50 7.297 2.799 -5.623 1.00 0.00 C ATOM 569 C PRO A 50 7.884 1.889 -4.540 1.00 0.00 C ATOM 570 O PRO A 50 8.124 0.727 -4.835 1.00 0.00 O ATOM 571 CB PRO A 50 8.287 3.905 -5.971 1.00 0.00 C ATOM 572 CG PRO A 50 7.388 5.041 -6.438 1.00 0.00 C ATOM 573 CD PRO A 50 6.168 4.906 -5.527 1.00 0.00 C ATOM 0 HA PRO A 50 7.070 2.154 -6.472 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.887 4.195 -5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 50 8.981 3.593 -6.752 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.871 6.011 -6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.120 4.939 -7.490 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.269 5.540 -4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.261 5.220 -6.043 1.00 0.00 H new ATOM 581 N VAL A 51 8.009 2.381 -3.304 1.00 0.00 N ATOM 582 CA VAL A 51 8.448 1.550 -2.155 1.00 0.00 C ATOM 583 C VAL A 51 7.625 0.261 -2.028 1.00 0.00 C ATOM 584 O VAL A 51 8.194 -0.830 -2.110 1.00 0.00 O ATOM 585 CB VAL A 51 8.466 2.400 -0.856 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.736 1.589 0.409 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.487 3.540 -0.954 1.00 0.00 C ATOM 0 H VAL A 51 7.814 3.353 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 51 9.470 1.217 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 51 7.458 2.807 -0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.733 2.252 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.960 0.833 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.708 1.102 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.477 4.118 -0.030 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.482 3.124 -1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.228 4.189 -1.791 1.00 0.00 H new ATOM 597 N ILE A 52 6.292 0.377 -2.063 1.00 0.00 N ATOM 598 CA ILE A 52 5.374 -0.774 -2.022 1.00 0.00 C ATOM 599 C ILE A 52 5.529 -1.714 -3.216 1.00 0.00 C ATOM 600 O ILE A 52 5.708 -2.914 -3.041 1.00 0.00 O ATOM 601 CB ILE A 52 3.939 -0.207 -1.848 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.806 0.589 -0.539 1.00 0.00 C ATOM 603 CG2 ILE A 52 2.816 -1.237 -1.941 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.316 -0.141 0.699 1.00 0.00 C ATOM 0 H ILE A 52 5.814 1.276 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 52 5.616 -1.418 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 52 3.810 0.453 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.351 1.527 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.757 0.844 -0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.855 -0.741 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.843 -1.717 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.948 -1.990 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.184 0.493 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.756 -1.066 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.374 -0.372 0.575 1.00 0.00 H new ATOM 616 N ASP A 53 5.730 -1.090 -4.364 1.00 0.00 N ATOM 617 CA ASP A 53 5.998 -1.826 -5.617 1.00 0.00 C ATOM 618 C ASP A 53 7.322 -2.613 -5.616 1.00 0.00 C ATOM 619 O ASP A 53 7.449 -3.683 -6.198 1.00 0.00 O ATOM 620 CB ASP A 53 5.910 -0.891 -6.839 1.00 0.00 C ATOM 621 CG ASP A 53 4.509 -0.327 -7.035 1.00 0.00 C ATOM 622 OD1 ASP A 53 4.434 0.876 -7.340 1.00 0.00 O ATOM 623 OD2 ASP A 53 3.532 -1.119 -6.894 1.00 0.00 O ATOM 0 H ASP A 53 5.715 -0.075 -4.469 1.00 0.00 H new ATOM 0 HA ASP A 53 5.212 -2.578 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.616 -0.070 -6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.208 -1.437 -7.734 1.00 0.00 H new ATOM 629 N GLU A 54 8.294 -2.039 -4.911 1.00 0.00 N ATOM 630 CA GLU A 54 9.615 -2.634 -4.672 1.00 0.00 C ATOM 631 C GLU A 54 9.588 -3.759 -3.628 1.00 0.00 C ATOM 632 O GLU A 54 10.209 -4.798 -3.853 1.00 0.00 O ATOM 633 CB GLU A 54 10.598 -1.558 -4.236 1.00 0.00 C ATOM 634 CG GLU A 54 10.916 -0.622 -5.414 1.00 0.00 C ATOM 635 CD GLU A 54 11.698 0.606 -4.960 1.00 0.00 C ATOM 636 OE1 GLU A 54 11.043 1.561 -4.474 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.935 0.581 -5.136 1.00 0.00 O ATOM 0 H GLU A 54 8.186 -1.122 -4.477 1.00 0.00 H new ATOM 0 HA GLU A 54 9.933 -3.079 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.178 -0.985 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.515 -2.019 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.492 -1.164 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.987 -0.307 -5.890 1.00 0.00 H new ATOM 645 N LEU A 55 8.774 -3.602 -2.579 1.00 0.00 N ATOM 646 CA LEU A 55 8.566 -4.671 -1.589 1.00 0.00 C ATOM 647 C LEU A 55 8.071 -5.992 -2.221 1.00 0.00 C ATOM 648 O LEU A 55 8.527 -7.064 -1.853 1.00 0.00 O ATOM 649 CB LEU A 55 7.588 -4.246 -0.479 1.00 0.00 C ATOM 650 CG LEU A 55 8.022 -3.012 0.317 1.00 0.00 C ATOM 651 CD1 LEU A 55 6.895 -2.595 1.263 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.303 -3.191 1.123 1.00 0.00 C ATOM 0 H LEU A 55 8.248 -2.748 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 55 9.549 -4.850 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.614 -4.049 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.458 -5.080 0.211 1.00 0.00 H new ATOM 0 HG LEU A 55 8.235 -2.243 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.203 -1.717 1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.002 -2.359 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.676 -3.412 1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.532 -2.266 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.170 -3.999 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.125 -3.436 0.450 1.00 0.00 H new ATOM 664 N ALA A 56 7.434 -5.828 -3.381 1.00 0.00 N ATOM 665 CA ALA A 56 6.919 -6.952 -4.189 1.00 0.00 C ATOM 666 C ALA A 56 8.023 -7.927 -4.617 1.00 0.00 C ATOM 667 O ALA A 56 7.927 -9.126 -4.362 1.00 0.00 O ATOM 668 CB ALA A 56 6.191 -6.407 -5.423 1.00 0.00 C ATOM 0 H ALA A 56 7.256 -4.913 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 56 6.226 -7.513 -3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.812 -7.238 -6.018 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.359 -5.778 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.884 -5.817 -6.023 1.00 0.00 H new ATOM 674 N LYS A 57 9.104 -7.385 -5.179 1.00 0.00 N ATOM 675 CA LYS A 57 10.267 -8.215 -5.574 1.00 0.00 C ATOM 676 C LYS A 57 11.360 -8.340 -4.500 1.00 0.00 C ATOM 677 O LYS A 57 12.222 -9.219 -4.606 1.00 0.00 O ATOM 678 CB LYS A 57 10.861 -7.734 -6.897 1.00 0.00 C ATOM 679 CG LYS A 57 11.465 -6.352 -6.732 1.00 0.00 C ATOM 680 CD LYS A 57 10.985 -5.487 -7.878 1.00 0.00 C ATOM 681 CE LYS A 57 11.451 -4.061 -7.640 1.00 0.00 C ATOM 682 NZ LYS A 57 10.941 -3.361 -8.808 1.00 0.00 N ATOM 0 H LYS A 57 9.209 -6.389 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 57 9.867 -9.221 -5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.625 -8.434 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.087 -7.711 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.167 -5.918 -5.777 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.553 -6.410 -6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.378 -5.860 -8.824 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.898 -5.522 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.047 -3.652 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.537 -3.996 -7.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.204 -2.356 -8.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.348 -3.779 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.905 -3.446 -8.839 1.00 0.00 H new ATOM 696 N GLU A 58 11.315 -7.455 -3.498 1.00 0.00 N ATOM 697 CA GLU A 58 12.231 -7.526 -2.345 1.00 0.00 C ATOM 698 C GLU A 58 12.146 -8.908 -1.679 1.00 0.00 C ATOM 699 O GLU A 58 13.160 -9.496 -1.297 1.00 0.00 O ATOM 700 CB GLU A 58 11.842 -6.443 -1.326 1.00 0.00 C ATOM 701 CG GLU A 58 12.995 -5.458 -1.099 1.00 0.00 C ATOM 702 CD GLU A 58 12.549 -4.326 -0.167 1.00 0.00 C ATOM 703 OE1 GLU A 58 11.861 -3.417 -0.688 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.891 -4.402 1.031 1.00 0.00 O ATOM 0 H GLU A 58 10.654 -6.679 -3.459 1.00 0.00 H new ATOM 0 HA GLU A 58 13.252 -7.365 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.964 -5.904 -1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.568 -6.911 -0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.849 -5.980 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.323 -5.045 -2.053 1.00 0.00 H new ATOM 712 N TYR A 59 10.918 -9.407 -1.611 1.00 0.00 N ATOM 713 CA TYR A 59 10.653 -10.799 -1.188 1.00 0.00 C ATOM 714 C TYR A 59 9.932 -11.473 -2.368 1.00 0.00 C ATOM 715 O TYR A 59 8.709 -11.481 -2.418 1.00 0.00 O ATOM 716 CB TYR A 59 9.785 -10.881 0.083 1.00 0.00 C ATOM 717 CG TYR A 59 9.675 -9.604 0.908 1.00 0.00 C ATOM 718 CD1 TYR A 59 10.800 -9.136 1.623 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.517 -8.828 0.710 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.777 -7.818 2.104 1.00 0.00 C ATOM 721 CE2 TYR A 59 8.502 -7.514 1.188 1.00 0.00 C ATOM 722 CZ TYR A 59 9.630 -7.031 1.890 1.00 0.00 C ATOM 723 OH TYR A 59 9.549 -5.811 2.465 1.00 0.00 O ATOM 0 H TYR A 59 10.079 -8.875 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 59 11.591 -11.294 -0.937 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.780 -11.188 -0.208 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.187 -11.668 0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 59 11.654 -9.775 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.658 -9.239 0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.628 -7.413 2.631 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.644 -6.879 1.024 1.00 0.00 H new ATOM 0 HH TYR A 59 10.325 -5.273 2.202 1.00 0.00 H new ATOM 733 N SER A 60 10.706 -11.588 -3.451 1.00 0.00 N ATOM 734 CA SER A 60 10.315 -12.187 -4.753 1.00 0.00 C ATOM 735 C SER A 60 8.881 -12.753 -4.892 1.00 0.00 C ATOM 736 O SER A 60 8.621 -13.937 -4.688 1.00 0.00 O ATOM 737 CB SER A 60 11.367 -13.239 -5.154 1.00 0.00 C ATOM 738 OG SER A 60 10.981 -13.871 -6.372 1.00 0.00 O ATOM 0 H SER A 60 11.670 -11.254 -3.455 1.00 0.00 H new ATOM 0 HA SER A 60 10.289 -11.343 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.341 -12.765 -5.273 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.469 -13.983 -4.364 1.00 0.00 H new ATOM 0 HG SER A 60 11.654 -14.537 -6.622 1.00 0.00 H new ATOM 744 N GLY A 61 7.968 -11.829 -5.190 1.00 0.00 N ATOM 745 CA GLY A 61 6.533 -12.098 -5.465 1.00 0.00 C ATOM 746 C GLY A 61 5.687 -12.504 -4.247 1.00 0.00 C ATOM 747 O GLY A 61 4.669 -13.169 -4.403 1.00 0.00 O ATOM 0 H GLY A 61 8.201 -10.838 -5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.093 -11.205 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.467 -12.890 -6.211 1.00 0.00 H new ATOM 751 N LYS A 62 6.068 -12.020 -3.070 1.00 0.00 N ATOM 752 CA LYS A 62 5.387 -12.340 -1.809 1.00 0.00 C ATOM 753 C LYS A 62 3.945 -11.865 -1.661 1.00 0.00 C ATOM 754 O LYS A 62 3.033 -12.608 -1.323 1.00 0.00 O ATOM 755 CB LYS A 62 6.200 -11.757 -0.642 1.00 0.00 C ATOM 756 CG LYS A 62 6.186 -12.785 0.494 1.00 0.00 C ATOM 757 CD LYS A 62 6.764 -14.165 0.129 1.00 0.00 C ATOM 758 CE LYS A 62 8.290 -14.187 0.057 1.00 0.00 C ATOM 759 NZ LYS A 62 8.684 -15.526 -0.379 1.00 0.00 N ATOM 0 H LYS A 62 6.862 -11.390 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 62 5.330 -13.429 -1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.223 -11.547 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.769 -10.813 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.750 -12.382 1.335 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.158 -12.916 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.432 -14.896 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.358 -14.477 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.653 -13.433 -0.641 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.724 -13.956 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.721 -15.580 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.340 -16.229 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.271 -15.722 -1.313 1.00 0.00 H new ATOM 773 N ILE A 63 3.853 -10.541 -1.674 1.00 0.00 N ATOM 774 CA ILE A 63 2.625 -9.805 -1.361 1.00 0.00 C ATOM 775 C ILE A 63 1.905 -9.272 -2.591 1.00 0.00 C ATOM 776 O ILE A 63 2.508 -8.778 -3.541 1.00 0.00 O ATOM 777 CB ILE A 63 2.878 -8.710 -0.311 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.209 -7.964 -0.480 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.758 -9.284 1.111 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.151 -6.900 -1.574 1.00 0.00 C ATOM 0 H ILE A 63 4.640 -9.935 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 63 1.940 -10.530 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 63 2.100 -7.964 -0.475 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.480 -7.494 0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.995 -8.681 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.940 -8.494 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.756 -9.688 1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.492 -10.078 1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.118 -6.404 -1.651 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.908 -7.371 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.385 -6.165 -1.327 1.00 0.00 H new ATOM 792 N ALA A 64 0.588 -9.485 -2.567 1.00 0.00 N ATOM 793 CA ALA A 64 -0.341 -8.952 -3.574 1.00 0.00 C ATOM 794 C ALA A 64 -0.478 -7.440 -3.329 1.00 0.00 C ATOM 795 O ALA A 64 -1.005 -6.981 -2.311 1.00 0.00 O ATOM 796 CB ALA A 64 -1.679 -9.680 -3.505 1.00 0.00 C ATOM 0 H ALA A 64 0.129 -10.037 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 64 0.039 -9.114 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.354 -9.272 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.525 -10.743 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.115 -9.546 -2.515 1.00 0.00 H new ATOM 802 N VAL A 65 0.468 -6.802 -3.999 1.00 0.00 N ATOM 803 CA VAL A 65 0.756 -5.355 -3.972 1.00 0.00 C ATOM 804 C VAL A 65 -0.310 -4.478 -4.670 1.00 0.00 C ATOM 805 O VAL A 65 -0.471 -4.473 -5.890 1.00 0.00 O ATOM 806 CB VAL A 65 2.213 -5.189 -4.429 1.00 0.00 C ATOM 807 CG1 VAL A 65 2.534 -5.755 -5.816 1.00 0.00 C ATOM 808 CG2 VAL A 65 2.738 -3.762 -4.345 1.00 0.00 C ATOM 0 H VAL A 65 1.103 -7.303 -4.620 1.00 0.00 H new ATOM 0 HA VAL A 65 0.671 -4.953 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 65 2.737 -5.800 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.587 -5.587 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.327 -6.825 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.917 -5.257 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.773 -3.734 -4.686 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.131 -3.113 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.687 -3.416 -3.313 1.00 0.00 H new ATOM 818 N TYR A 66 -1.001 -3.754 -3.802 1.00 0.00 N ATOM 819 CA TYR A 66 -2.172 -2.909 -4.120 1.00 0.00 C ATOM 820 C TYR A 66 -1.999 -1.435 -3.693 1.00 0.00 C ATOM 821 O TYR A 66 -1.642 -1.143 -2.552 1.00 0.00 O ATOM 822 CB TYR A 66 -3.413 -3.491 -3.431 1.00 0.00 C ATOM 823 CG TYR A 66 -3.809 -4.851 -4.003 1.00 0.00 C ATOM 824 CD1 TYR A 66 -4.170 -4.932 -5.360 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.801 -5.994 -3.182 1.00 0.00 C ATOM 826 CE1 TYR A 66 -4.533 -6.166 -5.910 1.00 0.00 C ATOM 827 CE2 TYR A 66 -4.179 -7.238 -3.728 1.00 0.00 C ATOM 828 CZ TYR A 66 -4.539 -7.311 -5.092 1.00 0.00 C ATOM 829 OH TYR A 66 -4.947 -8.477 -5.662 1.00 0.00 O ATOM 0 H TYR A 66 -0.761 -3.730 -2.811 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.282 -2.913 -5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.220 -3.591 -2.363 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.246 -2.797 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.167 -4.044 -5.975 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.509 -5.919 -2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.806 -6.239 -6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -4.193 -8.124 -3.111 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.739 -9.224 -5.063 1.00 0.00 H new ATOM 839 N LYS A 67 -2.470 -0.564 -4.580 1.00 0.00 N ATOM 840 CA LYS A 67 -2.319 0.903 -4.446 1.00 0.00 C ATOM 841 C LYS A 67 -3.639 1.658 -4.214 1.00 0.00 C ATOM 842 O LYS A 67 -4.417 1.860 -5.145 1.00 0.00 O ATOM 843 CB LYS A 67 -1.666 1.457 -5.710 1.00 0.00 C ATOM 844 CG LYS A 67 -0.157 1.200 -5.773 1.00 0.00 C ATOM 845 CD LYS A 67 0.319 -0.240 -6.055 1.00 0.00 C ATOM 846 CE LYS A 67 -0.090 -0.768 -7.431 1.00 0.00 C ATOM 847 NZ LYS A 67 0.462 -2.126 -7.583 1.00 0.00 N ATOM 0 H LYS A 67 -2.972 -0.846 -5.422 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.704 1.061 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.141 1.009 -6.583 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.848 2.530 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.260 1.847 -6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.276 1.515 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.405 -0.277 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.083 -0.902 -5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.176 -0.786 -7.524 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.287 -0.114 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.299 -2.460 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.484 -2.109 -7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.007 -2.768 -6.913 1.00 0.00 H new ATOM 861 N LEU A 68 -3.893 2.042 -2.972 1.00 0.00 N ATOM 862 CA LEU A 68 -5.136 2.769 -2.655 1.00 0.00 C ATOM 863 C LEU A 68 -4.996 4.286 -2.676 1.00 0.00 C ATOM 864 O LEU A 68 -4.425 4.937 -1.797 1.00 0.00 O ATOM 865 CB LEU A 68 -5.816 2.322 -1.353 1.00 0.00 C ATOM 866 CG LEU A 68 -7.298 2.642 -1.544 1.00 0.00 C ATOM 867 CD1 LEU A 68 -8.124 1.368 -1.504 1.00 0.00 C ATOM 868 CD2 LEU A 68 -7.805 3.718 -0.579 1.00 0.00 C ATOM 0 H LEU A 68 -3.278 1.873 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.791 2.487 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.663 1.258 -1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.406 2.852 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.418 3.080 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.177 1.613 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.800 0.699 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.988 0.877 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.863 3.902 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.669 3.379 0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.244 4.640 -0.734 1.00 0.00 H new ATOM 880 N ASN A 69 -5.538 4.806 -3.763 1.00 0.00 N ATOM 881 CA ASN A 69 -5.751 6.241 -3.983 1.00 0.00 C ATOM 882 C ASN A 69 -6.887 6.654 -3.057 1.00 0.00 C ATOM 883 O ASN A 69 -8.056 6.321 -3.291 1.00 0.00 O ATOM 884 CB ASN A 69 -6.135 6.501 -5.434 1.00 0.00 C ATOM 885 CG ASN A 69 -5.160 5.983 -6.496 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.489 4.962 -6.368 1.00 0.00 O ATOM 887 ND2 ASN A 69 -5.058 6.710 -7.576 1.00 0.00 N ATOM 0 H ASN A 69 -5.854 4.232 -4.545 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.845 6.810 -3.776 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.111 6.050 -5.616 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.250 7.576 -5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.418 6.431 -8.320 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.618 7.557 -7.676 1.00 0.00 H new ATOM 894 N THR A 70 -6.515 7.277 -1.955 1.00 0.00 N ATOM 895 CA THR A 70 -7.489 7.731 -0.932 1.00 0.00 C ATOM 896 C THR A 70 -8.687 8.499 -1.500 1.00 0.00 C ATOM 897 O THR A 70 -9.838 8.106 -1.306 1.00 0.00 O ATOM 898 CB THR A 70 -6.774 8.595 0.112 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.101 9.679 -0.543 1.00 0.00 O ATOM 900 CG2 THR A 70 -5.830 7.755 0.966 1.00 0.00 C ATOM 0 H THR A 70 -5.544 7.490 -1.728 1.00 0.00 H new ATOM 0 HA THR A 70 -7.896 6.826 -0.480 1.00 0.00 H new ATOM 0 HB THR A 70 -7.509 9.019 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.064 10.452 0.058 1.00 0.00 H new ATOM 0 HG21 THR A 70 -5.336 8.394 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.398 6.982 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.080 7.288 0.328 1.00 0.00 H new ATOM 908 N ASP A 71 -8.363 9.380 -2.441 1.00 0.00 N ATOM 909 CA ASP A 71 -9.332 10.201 -3.214 1.00 0.00 C ATOM 910 C ASP A 71 -10.310 9.370 -4.066 1.00 0.00 C ATOM 911 O ASP A 71 -11.404 9.832 -4.374 1.00 0.00 O ATOM 912 CB ASP A 71 -8.582 11.214 -4.099 1.00 0.00 C ATOM 913 CG ASP A 71 -7.755 10.626 -5.244 1.00 0.00 C ATOM 914 OD1 ASP A 71 -6.985 9.676 -4.979 1.00 0.00 O ATOM 915 OD2 ASP A 71 -7.891 11.146 -6.376 1.00 0.00 O ATOM 0 H ASP A 71 -7.395 9.559 -2.706 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.942 10.726 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.311 11.905 -4.522 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.919 11.800 -3.463 1.00 0.00 H new ATOM 921 N GLU A 72 -9.839 8.206 -4.524 1.00 0.00 N ATOM 922 CA GLU A 72 -10.619 7.264 -5.334 1.00 0.00 C ATOM 923 C GLU A 72 -11.460 6.287 -4.484 1.00 0.00 C ATOM 924 O GLU A 72 -12.402 5.669 -4.994 1.00 0.00 O ATOM 925 CB GLU A 72 -9.606 6.487 -6.184 1.00 0.00 C ATOM 926 CG GLU A 72 -10.181 5.789 -7.412 1.00 0.00 C ATOM 927 CD GLU A 72 -9.053 5.067 -8.155 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.149 3.817 -8.237 1.00 0.00 O ATOM 929 OE2 GLU A 72 -8.129 5.756 -8.639 1.00 0.00 O ATOM 0 H GLU A 72 -8.888 7.886 -4.339 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.337 7.815 -5.942 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.827 7.176 -6.510 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.126 5.739 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -10.950 5.077 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.658 6.517 -8.069 1.00 0.00 H new ATOM 937 N ALA A 73 -11.024 6.063 -3.254 1.00 0.00 N ATOM 938 CA ALA A 73 -11.720 5.166 -2.310 1.00 0.00 C ATOM 939 C ALA A 73 -11.828 5.740 -0.869 1.00 0.00 C ATOM 940 O ALA A 73 -11.219 5.211 0.067 1.00 0.00 O ATOM 941 CB ALA A 73 -11.057 3.787 -2.365 1.00 0.00 C ATOM 0 H ALA A 73 -10.181 6.491 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.760 5.071 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.561 3.113 -1.672 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.130 3.388 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.007 3.877 -2.085 1.00 0.00 H new ATOM 947 N PRO A 74 -12.737 6.713 -0.668 1.00 0.00 N ATOM 948 CA PRO A 74 -12.944 7.357 0.642 1.00 0.00 C ATOM 949 C PRO A 74 -13.443 6.350 1.687 1.00 0.00 C ATOM 950 O PRO A 74 -12.784 6.135 2.691 1.00 0.00 O ATOM 951 CB PRO A 74 -14.004 8.439 0.406 1.00 0.00 C ATOM 952 CG PRO A 74 -13.997 8.659 -1.107 1.00 0.00 C ATOM 953 CD PRO A 74 -13.646 7.292 -1.683 1.00 0.00 C ATOM 0 HA PRO A 74 -12.011 7.769 1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -14.985 8.117 0.756 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.761 9.357 0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -14.968 9.004 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.265 9.413 -1.396 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -14.534 6.676 -1.825 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.160 7.379 -2.655 1.00 0.00 H new ATOM 961 N GLY A 75 -14.386 5.513 1.235 1.00 0.00 N ATOM 962 CA GLY A 75 -15.082 4.466 2.000 1.00 0.00 C ATOM 963 C GLY A 75 -14.139 3.396 2.560 1.00 0.00 C ATOM 964 O GLY A 75 -14.336 2.911 3.667 1.00 0.00 O ATOM 0 H GLY A 75 -14.704 5.550 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.626 4.928 2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.822 3.988 1.358 1.00 0.00 H new ATOM 968 N ILE A 76 -13.095 3.075 1.796 1.00 0.00 N ATOM 969 CA ILE A 76 -12.050 2.128 2.221 1.00 0.00 C ATOM 970 C ILE A 76 -11.217 2.724 3.361 1.00 0.00 C ATOM 971 O ILE A 76 -11.213 2.190 4.473 1.00 0.00 O ATOM 972 CB ILE A 76 -11.258 1.689 0.981 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.142 0.984 -0.062 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.048 0.834 1.352 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.893 -0.259 0.438 1.00 0.00 C ATOM 0 H ILE A 76 -12.945 3.461 0.864 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.476 1.221 2.650 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.886 2.602 0.516 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.872 1.701 -0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.516 0.694 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.515 0.545 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.382 1.407 1.997 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.382 -0.060 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.485 -0.678 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.175 -1.003 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.552 0.020 1.260 1.00 0.00 H new ATOM 987 N ALA A 77 -10.739 3.952 3.147 1.00 0.00 N ATOM 988 CA ALA A 77 -10.011 4.709 4.179 1.00 0.00 C ATOM 989 C ALA A 77 -10.827 4.854 5.482 1.00 0.00 C ATOM 990 O ALA A 77 -10.301 4.593 6.566 1.00 0.00 O ATOM 991 CB ALA A 77 -9.608 6.080 3.621 1.00 0.00 C ATOM 0 H ALA A 77 -10.842 4.450 2.263 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.113 4.149 4.440 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.069 6.640 4.385 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.966 5.944 2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.502 6.631 3.330 1.00 0.00 H new ATOM 997 N THR A 78 -12.137 5.044 5.323 1.00 0.00 N ATOM 998 CA THR A 78 -13.118 5.054 6.427 1.00 0.00 C ATOM 999 C THR A 78 -13.137 3.696 7.143 1.00 0.00 C ATOM 1000 O THR A 78 -12.919 3.601 8.348 1.00 0.00 O ATOM 1001 CB THR A 78 -14.500 5.268 5.838 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.524 6.458 5.036 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.641 5.331 6.857 1.00 0.00 C ATOM 0 H THR A 78 -12.562 5.199 4.409 1.00 0.00 H new ATOM 0 HA THR A 78 -12.846 5.842 7.130 1.00 0.00 H new ATOM 0 HB THR A 78 -14.681 4.379 5.234 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.044 6.297 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.586 5.486 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.683 4.395 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.467 6.157 7.547 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.486 2.665 6.372 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.687 1.282 6.828 1.00 0.00 C ATOM 1013 C GLN A 79 -12.492 0.712 7.627 1.00 0.00 C ATOM 1014 O GLN A 79 -12.670 -0.089 8.540 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.913 0.431 5.572 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.459 -0.976 5.833 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.991 -1.586 4.544 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -14.273 -2.057 3.674 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -16.283 -1.436 4.329 1.00 0.00 N ATOM 0 H GLN A 79 -13.644 2.772 5.370 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.537 1.263 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.605 0.957 4.915 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.968 0.344 5.035 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.672 -1.608 6.244 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.254 -0.932 6.577 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.879 -1.043 5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.687 -1.713 3.434 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.298 1.154 7.239 1.00 0.00 N ATOM 1029 CA TYR A 80 -10.037 0.741 7.890 1.00 0.00 C ATOM 1030 C TYR A 80 -9.511 1.751 8.932 1.00 0.00 C ATOM 1031 O TYR A 80 -8.433 1.559 9.500 1.00 0.00 O ATOM 1032 CB TYR A 80 -9.020 0.446 6.779 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.480 -0.752 5.929 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.762 -1.985 6.567 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -10.028 -0.459 4.655 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.659 -2.884 5.979 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.951 -1.346 4.077 1.00 0.00 C ATOM 1038 CZ TYR A 80 -11.268 -2.538 4.754 1.00 0.00 C ATOM 1039 OH TYR A 80 -12.127 -3.416 4.180 1.00 0.00 O ATOM 0 H TYR A 80 -11.167 1.808 6.467 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.219 -0.156 8.482 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.901 1.324 6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.045 0.235 7.218 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.286 -2.231 7.505 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.738 0.440 4.132 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.882 -3.827 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.411 -1.116 3.127 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.823 -2.924 3.697 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.335 2.755 9.224 1.00 0.00 N ATOM 1050 CA ASN A 81 -10.079 3.872 10.164 1.00 0.00 C ATOM 1051 C ASN A 81 -8.652 4.447 10.059 1.00 0.00 C ATOM 1052 O ASN A 81 -7.974 4.780 11.038 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.482 3.481 11.596 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.608 4.710 12.501 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -9.931 4.684 13.623 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -11.294 5.682 12.213 1.00 0.00 N flip ATOM 0 H ASN A 81 -11.256 2.826 8.792 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.720 4.701 9.865 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.431 2.946 11.574 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.740 2.798 12.010 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.818 5.695 11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.341 6.479 12.848 1.00 0.00 H new ATOM 1063 N ILE A 82 -8.271 4.677 8.805 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.948 5.246 8.470 1.00 0.00 C ATOM 1065 C ILE A 82 -7.142 6.759 8.382 1.00 0.00 C ATOM 1066 O ILE A 82 -7.950 7.292 7.628 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.238 4.549 7.278 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.584 5.081 5.892 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.397 3.025 7.289 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -5.756 6.328 5.586 1.00 0.00 C ATOM 0 H ILE A 82 -8.856 4.480 7.993 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.213 5.042 9.249 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.195 4.809 7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.392 4.314 5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.646 5.319 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.878 2.599 6.430 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.971 2.621 8.208 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.455 2.769 7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.011 6.700 4.594 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.970 7.098 6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.696 6.078 5.618 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.676 7.336 9.478 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.681 8.785 9.717 1.00 0.00 C ATOM 1084 C ARG A 83 -5.380 9.458 9.255 1.00 0.00 C ATOM 1085 O ARG A 83 -5.287 10.675 9.093 1.00 0.00 O ATOM 1086 CB ARG A 83 -6.889 9.038 11.211 1.00 0.00 C ATOM 1087 CG ARG A 83 -8.216 8.442 11.693 1.00 0.00 C ATOM 1088 CD ARG A 83 -8.294 8.483 13.212 1.00 0.00 C ATOM 1089 NE ARG A 83 -9.492 7.761 13.666 1.00 0.00 N ATOM 1090 CZ ARG A 83 -9.797 7.463 14.931 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -9.022 7.844 15.946 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -10.916 6.827 15.207 1.00 0.00 N ATOM 0 H ARG A 83 -6.273 6.804 10.249 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.493 9.220 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.065 8.601 11.775 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.876 10.110 11.406 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.049 8.999 11.264 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.308 7.413 11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.400 8.032 13.644 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.328 9.517 13.556 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.151 7.460 12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.171 8.377 15.766 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.279 7.602 16.903 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -11.551 6.561 14.454 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.148 6.600 16.174 1.00 0.00 H new ATOM 1106 N SER A 84 -4.396 8.612 8.965 1.00 0.00 N ATOM 1107 CA SER A 84 -3.046 9.034 8.549 1.00 0.00 C ATOM 1108 C SER A 84 -2.726 8.499 7.151 1.00 0.00 C ATOM 1109 O SER A 84 -2.963 7.340 6.835 1.00 0.00 O ATOM 1110 CB SER A 84 -2.030 8.513 9.553 1.00 0.00 C ATOM 1111 OG SER A 84 -0.704 8.789 9.108 1.00 0.00 O ATOM 0 H SER A 84 -4.507 7.599 9.010 1.00 0.00 H new ATOM 0 HA SER A 84 -3.003 10.123 8.517 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.198 8.978 10.525 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.159 7.439 9.687 1.00 0.00 H new ATOM 0 HG SER A 84 -0.061 8.449 9.765 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.342 9.430 6.303 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.881 9.111 4.938 1.00 0.00 C ATOM 1119 C ILE A 85 -0.419 9.615 4.894 1.00 0.00 C ATOM 1120 O ILE A 85 -0.224 10.825 5.006 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.797 9.740 3.872 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -4.255 9.313 4.016 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -2.383 9.270 2.485 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.112 10.321 4.797 1.00 0.00 C ATOM 0 H ILE A 85 -2.335 10.426 6.523 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.923 8.046 4.709 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.701 10.817 4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.685 9.174 3.024 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.295 8.347 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.037 9.720 1.738 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.352 9.568 2.292 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -2.463 8.184 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.137 9.955 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.706 10.442 5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.102 11.282 4.283 1.00 0.00 H new ATOM 1136 N PRO A 86 0.549 8.715 4.662 1.00 0.00 N ATOM 1137 CA PRO A 86 0.355 7.291 4.331 1.00 0.00 C ATOM 1138 C PRO A 86 0.215 6.269 5.471 1.00 0.00 C ATOM 1139 O PRO A 86 0.803 6.387 6.545 1.00 0.00 O ATOM 1140 CB PRO A 86 1.548 6.968 3.438 1.00 0.00 C ATOM 1141 CG PRO A 86 2.662 7.872 3.972 1.00 0.00 C ATOM 1142 CD PRO A 86 1.969 9.097 4.539 1.00 0.00 C ATOM 0 HA PRO A 86 -0.630 7.185 3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.822 5.915 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.331 7.177 2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.244 7.362 4.740 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.355 8.148 3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.388 9.374 5.507 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.090 9.958 3.881 1.00 0.00 H new ATOM 1150 N THR A 87 -0.620 5.264 5.178 1.00 0.00 N ATOM 1151 CA THR A 87 -0.814 4.053 6.015 1.00 0.00 C ATOM 1152 C THR A 87 -0.759 2.834 5.097 1.00 0.00 C ATOM 1153 O THR A 87 -1.294 2.847 3.995 1.00 0.00 O ATOM 1154 CB THR A 87 -2.125 4.087 6.815 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.047 5.148 7.758 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.442 2.794 7.589 1.00 0.00 C ATOM 0 H THR A 87 -1.196 5.261 4.336 1.00 0.00 H new ATOM 0 HA THR A 87 -0.020 4.007 6.760 1.00 0.00 H new ATOM 0 HB THR A 87 -2.922 4.218 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.717 5.829 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.385 2.911 8.123 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.522 1.962 6.890 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.643 2.592 8.303 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.015 1.828 5.549 1.00 0.00 N ATOM 1165 CA VAL A 88 0.111 0.568 4.804 1.00 0.00 C ATOM 1166 C VAL A 88 -0.449 -0.616 5.604 1.00 0.00 C ATOM 1167 O VAL A 88 -0.219 -0.756 6.806 1.00 0.00 O ATOM 1168 CB VAL A 88 1.562 0.438 4.276 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.601 0.205 5.375 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.639 -0.621 3.180 1.00 0.00 C ATOM 0 H VAL A 88 0.510 1.855 6.423 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.518 0.565 3.914 1.00 0.00 H new ATOM 0 HB VAL A 88 1.824 1.404 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.592 0.124 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.585 1.041 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.367 -0.717 5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.665 -0.699 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.321 -1.583 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.986 -0.338 2.354 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.298 -1.390 4.922 1.00 0.00 N ATOM 1181 CA LEU A 89 -2.031 -2.523 5.514 1.00 0.00 C ATOM 1182 C LEU A 89 -1.610 -3.900 4.981 1.00 0.00 C ATOM 1183 O LEU A 89 -1.535 -4.126 3.780 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.536 -2.341 5.318 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.140 -1.429 6.387 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -4.191 0.028 5.917 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.570 -1.884 6.668 1.00 0.00 C ATOM 0 H LEU A 89 -1.501 -1.250 3.932 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.774 -2.512 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.726 -1.920 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.027 -3.314 5.350 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.516 -1.491 7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.626 0.648 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.181 0.375 5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.802 0.099 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.013 -1.242 7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.158 -1.821 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.561 -2.914 7.023 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.511 -4.819 5.940 1.00 0.00 N ATOM 1200 CA PHE A 90 -1.061 -6.214 5.748 1.00 0.00 C ATOM 1201 C PHE A 90 -2.173 -7.174 6.147 1.00 0.00 C ATOM 1202 O PHE A 90 -2.637 -7.240 7.287 1.00 0.00 O ATOM 1203 CB PHE A 90 0.195 -6.554 6.568 1.00 0.00 C ATOM 1204 CG PHE A 90 1.328 -5.563 6.369 1.00 0.00 C ATOM 1205 CD1 PHE A 90 1.256 -4.337 7.084 1.00 0.00 C ATOM 1206 CD2 PHE A 90 2.050 -5.661 5.162 1.00 0.00 C ATOM 1207 CE1 PHE A 90 1.813 -3.174 6.514 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.620 -4.504 4.603 1.00 0.00 C ATOM 1209 CZ PHE A 90 2.472 -3.274 5.267 1.00 0.00 C ATOM 0 H PHE A 90 -1.748 -4.614 6.911 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.812 -6.319 4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.068 -6.587 7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.541 -7.551 6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.780 -4.297 8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.164 -6.616 4.671 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.738 -2.223 7.021 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.166 -4.560 3.673 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.873 -2.380 4.812 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.612 -7.819 5.085 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.691 -8.822 5.042 1.00 0.00 C ATOM 1221 C PHE A 91 -3.102 -10.215 4.843 1.00 0.00 C ATOM 1222 O PHE A 91 -2.184 -10.396 4.034 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.627 -8.530 3.860 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.271 -7.145 3.865 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.532 -5.997 3.483 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.649 -7.052 4.140 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.180 -4.751 3.409 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.315 -5.813 4.056 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.564 -4.671 3.714 1.00 0.00 C ATOM 0 H PHE A 91 -2.208 -7.656 4.163 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.240 -8.776 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.064 -8.648 2.934 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.418 -9.280 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.480 -6.079 3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.200 -7.938 4.418 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.631 -3.866 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.375 -5.741 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.054 -3.709 3.683 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.688 -11.183 5.518 1.00 0.00 N ATOM 1240 CA LYS A 92 -3.271 -12.609 5.436 1.00 0.00 C ATOM 1241 C LYS A 92 -3.704 -13.321 4.138 1.00 0.00 C ATOM 1242 O LYS A 92 -2.894 -13.991 3.510 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.633 -13.358 6.722 1.00 0.00 C ATOM 1244 CG LYS A 92 -5.113 -13.286 7.093 1.00 0.00 C ATOM 1245 CD LYS A 92 -5.289 -13.346 8.607 1.00 0.00 C ATOM 1246 CE LYS A 92 -6.765 -13.275 8.962 1.00 0.00 C ATOM 1247 NZ LYS A 92 -6.892 -13.195 10.428 1.00 0.00 N ATOM 0 H LYS A 92 -4.474 -11.024 6.149 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.183 -12.620 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.348 -14.404 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.044 -12.952 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.546 -12.363 6.707 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.651 -14.110 6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.857 -14.268 8.995 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.753 -12.521 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.225 -12.405 8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.288 -14.154 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.898 -13.146 10.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.464 -14.039 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.404 -12.344 10.773 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.010 -13.322 3.890 1.00 0.00 N ATOM 1262 CA ASN A 93 -5.597 -13.756 2.606 1.00 0.00 C ATOM 1263 C ASN A 93 -6.250 -12.576 1.866 1.00 0.00 C ATOM 1264 O ASN A 93 -6.171 -12.459 0.639 1.00 0.00 O ATOM 1265 CB ASN A 93 -6.572 -14.925 2.828 1.00 0.00 C ATOM 1266 CG ASN A 93 -7.779 -14.635 3.728 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -7.739 -13.838 4.661 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -8.925 -15.153 3.356 1.00 0.00 N ATOM 0 H ASN A 93 -5.705 -13.021 4.574 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.797 -14.120 1.961 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.940 -15.254 1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.016 -15.759 3.257 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.784 -14.894 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.958 -15.815 2.581 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.089 -11.883 2.634 1.00 0.00 N ATOM 1276 CA GLY A 94 -7.696 -10.573 2.310 1.00 0.00 C ATOM 1277 C GLY A 94 -8.321 -9.924 3.566 1.00 0.00 C ATOM 1278 O GLY A 94 -9.048 -8.947 3.471 1.00 0.00 O ATOM 0 H GLY A 94 -7.385 -12.229 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.938 -9.910 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.461 -10.702 1.545 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.761 -10.303 4.704 1.00 0.00 N ATOM 1283 CA GLU A 95 -8.189 -9.905 6.056 1.00 0.00 C ATOM 1284 C GLU A 95 -6.952 -9.411 6.815 1.00 0.00 C ATOM 1285 O GLU A 95 -5.944 -10.124 6.881 1.00 0.00 O ATOM 1286 CB GLU A 95 -8.829 -11.082 6.792 1.00 0.00 C ATOM 1287 CG GLU A 95 -10.313 -11.273 6.446 1.00 0.00 C ATOM 1288 CD GLU A 95 -10.575 -12.503 5.573 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -10.833 -12.302 4.374 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -10.620 -13.615 6.154 1.00 0.00 O ATOM 0 H GLU A 95 -6.955 -10.928 4.722 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.937 -9.114 5.991 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.285 -11.994 6.548 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.729 -10.929 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.886 -11.362 7.369 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.676 -10.385 5.929 1.00 0.00 H new ATOM 1298 N ARG A 96 -7.064 -8.222 7.410 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.893 -7.542 8.007 1.00 0.00 C ATOM 1300 C ARG A 96 -5.599 -7.947 9.435 1.00 0.00 C ATOM 1301 O ARG A 96 -6.469 -8.345 10.213 1.00 0.00 O ATOM 1302 CB ARG A 96 -5.791 -6.007 7.836 1.00 0.00 C ATOM 1303 CG ARG A 96 -7.051 -5.262 7.412 1.00 0.00 C ATOM 1304 CD ARG A 96 -7.663 -4.440 8.546 1.00 0.00 C ATOM 1305 NE ARG A 96 -9.115 -4.589 8.413 1.00 0.00 N ATOM 1306 CZ ARG A 96 -9.801 -5.709 8.685 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -9.224 -6.751 9.267 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -11.103 -5.711 8.451 1.00 0.00 N ATOM 0 H ARG A 96 -7.940 -7.707 7.496 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.103 -7.936 7.368 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.453 -5.585 8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.014 -5.801 7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.814 -4.602 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.788 -5.980 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.321 -4.799 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.370 -3.393 8.472 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.644 -3.779 8.089 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.236 -6.712 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.768 -7.591 9.463 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.555 -4.877 8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.655 -6.546 8.646 1.00 0.00 H new ATOM 1322 N LYS A 97 -4.294 -8.064 9.583 1.00 0.00 N ATOM 1323 CA LYS A 97 -3.604 -8.449 10.822 1.00 0.00 C ATOM 1324 C LYS A 97 -2.575 -7.403 11.292 1.00 0.00 C ATOM 1325 O LYS A 97 -2.342 -7.238 12.484 1.00 0.00 O ATOM 1326 CB LYS A 97 -3.038 -9.877 10.701 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.669 -10.317 9.279 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.318 -9.746 8.861 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.769 -10.429 7.602 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.416 -11.821 7.920 1.00 0.00 N ATOM 0 H LYS A 97 -3.647 -7.888 8.815 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.341 -8.467 11.625 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.150 -9.953 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.772 -10.576 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.639 -11.405 9.228 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.439 -9.986 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.418 -8.676 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.606 -9.865 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.513 -10.403 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.107 -9.894 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.601 -11.967 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.638 -12.016 8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.961 -12.465 7.311 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.992 -6.679 10.337 1.00 0.00 N ATOM 1345 CA GLU A 98 -1.087 -5.550 10.625 1.00 0.00 C ATOM 1346 C GLU A 98 -1.429 -4.269 9.862 1.00 0.00 C ATOM 1347 O GLU A 98 -1.754 -4.311 8.672 1.00 0.00 O ATOM 1348 CB GLU A 98 0.380 -5.937 10.370 1.00 0.00 C ATOM 1349 CG GLU A 98 1.072 -6.480 11.630 1.00 0.00 C ATOM 1350 CD GLU A 98 0.772 -7.934 12.010 1.00 0.00 C ATOM 1351 OE1 GLU A 98 0.799 -8.212 13.226 1.00 0.00 O ATOM 1352 OE2 GLU A 98 0.646 -8.768 11.084 1.00 0.00 O ATOM 0 H GLU A 98 -2.129 -6.853 9.341 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.230 -5.329 11.683 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.422 -6.690 9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.925 -5.065 10.007 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.149 -6.379 11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.794 -5.845 12.471 1.00 0.00 H new ATOM 1360 N SER A 99 -1.361 -3.150 10.585 1.00 0.00 N ATOM 1361 CA SER A 99 -1.652 -1.806 10.062 1.00 0.00 C ATOM 1362 C SER A 99 -0.602 -0.777 10.515 1.00 0.00 C ATOM 1363 O SER A 99 -0.607 -0.318 11.667 1.00 0.00 O ATOM 1364 CB SER A 99 -3.054 -1.370 10.484 1.00 0.00 C ATOM 1365 OG SER A 99 -3.156 -1.380 11.913 1.00 0.00 O ATOM 0 H SER A 99 -1.097 -3.148 11.570 1.00 0.00 H new ATOM 0 HA SER A 99 -1.608 -1.854 8.974 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.264 -0.371 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.798 -2.039 10.052 1.00 0.00 H new ATOM 0 HG SER A 99 -2.363 -0.954 12.301 1.00 0.00 H new ATOM 1371 N ILE A 100 0.286 -0.420 9.591 1.00 0.00 N ATOM 1372 CA ILE A 100 1.408 0.502 9.849 1.00 0.00 C ATOM 1373 C ILE A 100 1.034 1.935 9.424 1.00 0.00 C ATOM 1374 O ILE A 100 0.992 2.275 8.244 1.00 0.00 O ATOM 1375 CB ILE A 100 2.708 -0.067 9.238 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.344 -1.127 10.150 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.790 0.980 8.928 1.00 0.00 C ATOM 1378 CD1 ILE A 100 2.575 -2.451 10.277 1.00 0.00 C ATOM 0 H ILE A 100 0.254 -0.761 8.630 1.00 0.00 H new ATOM 0 HA ILE A 100 1.612 0.582 10.917 1.00 0.00 H new ATOM 0 HB ILE A 100 2.376 -0.498 8.293 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.345 -1.345 9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.460 -0.699 11.146 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.663 0.486 8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.400 1.706 8.214 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.075 1.492 9.847 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.115 -3.123 10.944 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.582 -2.258 10.683 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.481 -2.913 9.294 1.00 0.00 H new ATOM 1390 N ILE A 101 0.660 2.680 10.449 1.00 0.00 N ATOM 1391 CA ILE A 101 0.293 4.105 10.388 1.00 0.00 C ATOM 1392 C ILE A 101 1.574 4.955 10.324 1.00 0.00 C ATOM 1393 O ILE A 101 2.536 4.709 11.056 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.597 4.378 11.613 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.959 3.699 11.436 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.801 5.861 11.935 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.321 2.807 12.626 1.00 0.00 C ATOM 0 H ILE A 101 0.597 2.302 11.394 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.272 4.372 9.495 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.060 3.957 12.463 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.728 4.460 11.308 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.949 3.100 10.525 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.441 5.958 12.812 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.164 6.326 12.136 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.272 6.356 11.086 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.295 2.348 12.454 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.567 2.028 12.739 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.359 3.409 13.534 1.00 0.00 H new ATOM 1409 N GLY A 102 1.552 5.955 9.434 1.00 0.00 N ATOM 1410 CA GLY A 102 2.688 6.865 9.192 1.00 0.00 C ATOM 1411 C GLY A 102 3.810 6.162 8.409 1.00 0.00 C ATOM 1412 O GLY A 102 5.005 6.381 8.640 1.00 0.00 O ATOM 0 H GLY A 102 0.739 6.160 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.346 7.738 8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.077 7.226 10.144 1.00 0.00 H new ATOM 1416 N ALA A 103 3.382 5.496 7.340 1.00 0.00 N ATOM 1417 CA ALA A 103 4.213 4.634 6.491 1.00 0.00 C ATOM 1418 C ALA A 103 5.131 5.400 5.526 1.00 0.00 C ATOM 1419 O ALA A 103 4.779 5.678 4.383 1.00 0.00 O ATOM 1420 CB ALA A 103 3.266 3.694 5.734 1.00 0.00 C ATOM 0 H ALA A 103 2.412 5.541 7.026 1.00 0.00 H new ATOM 0 HA ALA A 103 4.901 4.079 7.129 1.00 0.00 H new ATOM 0 HB1 ALA A 103 3.847 3.034 5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.699 3.097 6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.579 4.282 5.126 1.00 0.00 H new ATOM 1426 N VAL A 104 6.268 5.846 6.055 1.00 0.00 N ATOM 1427 CA VAL A 104 7.291 6.555 5.252 1.00 0.00 C ATOM 1428 C VAL A 104 8.689 5.890 5.262 1.00 0.00 C ATOM 1429 O VAL A 104 9.221 5.679 4.159 1.00 0.00 O ATOM 1430 CB VAL A 104 7.367 8.083 5.544 1.00 0.00 C ATOM 1431 CG1 VAL A 104 8.195 8.813 4.483 1.00 0.00 C ATOM 1432 CG2 VAL A 104 5.984 8.757 5.560 1.00 0.00 C ATOM 0 H VAL A 104 6.515 5.734 7.038 1.00 0.00 H new ATOM 0 HA VAL A 104 6.928 6.454 4.229 1.00 0.00 H new ATOM 0 HB VAL A 104 7.828 8.158 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 104 8.228 9.877 4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 104 9.208 8.412 4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 104 7.739 8.670 3.504 1.00 0.00 H new ATOM 0 HG21 VAL A 104 6.100 9.821 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 104 5.505 8.627 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.366 8.301 6.334 1.00 0.00 H new ATOM 1442 N PRO A 105 9.314 5.527 6.397 1.00 0.00 N ATOM 1443 CA PRO A 105 10.648 4.892 6.417 1.00 0.00 C ATOM 1444 C PRO A 105 10.524 3.480 5.857 1.00 0.00 C ATOM 1445 O PRO A 105 9.887 2.606 6.433 1.00 0.00 O ATOM 1446 CB PRO A 105 11.100 4.836 7.876 1.00 0.00 C ATOM 1447 CG PRO A 105 10.144 5.781 8.604 1.00 0.00 C ATOM 1448 CD PRO A 105 8.853 5.705 7.788 1.00 0.00 C ATOM 0 HA PRO A 105 11.368 5.449 5.817 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.037 3.823 8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.136 5.157 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.983 5.468 9.636 1.00 0.00 H new ATOM 0 HG3 PRO A 105 10.536 6.798 8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.227 4.873 8.110 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.259 6.612 7.898 1.00 0.00 H new ATOM 1456 N LYS A 106 11.121 3.316 4.680 1.00 0.00 N ATOM 1457 CA LYS A 106 11.162 2.058 3.895 1.00 0.00 C ATOM 1458 C LYS A 106 11.372 0.802 4.771 1.00 0.00 C ATOM 1459 O LYS A 106 10.560 -0.118 4.737 1.00 0.00 O ATOM 1460 CB LYS A 106 12.227 2.203 2.810 1.00 0.00 C ATOM 1461 CG LYS A 106 12.199 1.039 1.821 1.00 0.00 C ATOM 1462 CD LYS A 106 12.833 1.477 0.502 1.00 0.00 C ATOM 1463 CE LYS A 106 12.865 0.354 -0.537 1.00 0.00 C ATOM 1464 NZ LYS A 106 11.510 -0.001 -0.985 1.00 0.00 N ATOM 0 H LYS A 106 11.614 4.080 4.217 1.00 0.00 H new ATOM 0 HA LYS A 106 10.189 1.901 3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.072 3.139 2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.212 2.261 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.740 0.186 2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.172 0.715 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 106 12.277 2.324 0.099 1.00 0.00 H new ATOM 0 HD3 LYS A 106 13.850 1.823 0.689 1.00 0.00 H new ATOM 0 HE2 LYS A 106 13.463 0.665 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.351 -0.524 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.569 -0.569 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.032 -0.551 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.969 0.867 -1.175 1.00 0.00 H new ATOM 1478 N SER A 107 12.302 0.911 5.706 1.00 0.00 N ATOM 1479 CA SER A 107 12.637 -0.145 6.684 1.00 0.00 C ATOM 1480 C SER A 107 11.465 -0.609 7.555 1.00 0.00 C ATOM 1481 O SER A 107 11.288 -1.810 7.752 1.00 0.00 O ATOM 1482 CB SER A 107 13.794 0.333 7.563 1.00 0.00 C ATOM 1483 OG SER A 107 13.524 1.660 8.033 1.00 0.00 O ATOM 0 H SER A 107 12.867 1.753 5.820 1.00 0.00 H new ATOM 0 HA SER A 107 12.922 -1.021 6.102 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.926 -0.343 8.408 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.725 0.319 6.996 1.00 0.00 H new ATOM 0 HG SER A 107 14.265 1.964 8.597 1.00 0.00 H new ATOM 1489 N THR A 108 10.630 0.322 8.004 1.00 0.00 N ATOM 1490 CA THR A 108 9.376 0.053 8.749 1.00 0.00 C ATOM 1491 C THR A 108 8.361 -0.713 7.903 1.00 0.00 C ATOM 1492 O THR A 108 7.820 -1.728 8.325 1.00 0.00 O ATOM 1493 CB THR A 108 8.797 1.396 9.222 1.00 0.00 C ATOM 1494 OG1 THR A 108 9.797 2.082 9.978 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.505 1.263 10.036 1.00 0.00 C ATOM 0 H THR A 108 10.800 1.318 7.863 1.00 0.00 H new ATOM 0 HA THR A 108 9.600 -0.581 9.607 1.00 0.00 H new ATOM 0 HB THR A 108 8.521 1.964 8.333 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.442 2.942 10.285 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.159 2.253 10.333 1.00 0.00 H new ATOM 0 HG22 THR A 108 6.741 0.778 9.429 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.696 0.663 10.926 1.00 0.00 H new ATOM 1503 N LEU A 109 8.235 -0.262 6.669 1.00 0.00 N ATOM 1504 CA LEU A 109 7.414 -0.895 5.609 1.00 0.00 C ATOM 1505 C LEU A 109 7.863 -2.330 5.344 1.00 0.00 C ATOM 1506 O LEU A 109 7.012 -3.207 5.336 1.00 0.00 O ATOM 1507 CB LEU A 109 7.412 -0.072 4.321 1.00 0.00 C ATOM 1508 CG LEU A 109 6.499 1.146 4.477 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.114 2.316 5.244 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.079 1.698 3.117 1.00 0.00 C ATOM 0 H LEU A 109 8.710 0.582 6.349 1.00 0.00 H new ATOM 0 HA LEU A 109 6.388 -0.926 5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.426 0.252 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.072 -0.687 3.488 1.00 0.00 H new ATOM 0 HG LEU A 109 5.655 0.760 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.393 3.131 5.303 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.379 1.992 6.251 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.009 2.660 4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.431 2.563 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.965 1.997 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.541 0.929 2.563 1.00 0.00 H new ATOM 1522 N THR A 110 9.171 -2.575 5.443 1.00 0.00 N ATOM 1523 CA THR A 110 9.760 -3.927 5.318 1.00 0.00 C ATOM 1524 C THR A 110 9.516 -4.773 6.575 1.00 0.00 C ATOM 1525 O THR A 110 9.076 -5.927 6.518 1.00 0.00 O ATOM 1526 CB THR A 110 11.258 -3.890 5.008 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.521 -2.926 3.987 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.687 -5.278 4.539 1.00 0.00 C ATOM 0 H THR A 110 9.862 -1.844 5.613 1.00 0.00 H new ATOM 0 HA THR A 110 9.252 -4.393 4.474 1.00 0.00 H new ATOM 0 HB THR A 110 11.817 -3.608 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.343 -2.026 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.753 -5.272 4.313 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.487 -6.006 5.325 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.128 -5.548 3.643 1.00 0.00 H new ATOM 1536 N ASP A 111 9.795 -4.144 7.700 1.00 0.00 N ATOM 1537 CA ASP A 111 9.552 -4.660 9.064 1.00 0.00 C ATOM 1538 C ASP A 111 8.162 -5.300 9.163 1.00 0.00 C ATOM 1539 O ASP A 111 8.075 -6.505 9.384 1.00 0.00 O ATOM 1540 CB ASP A 111 9.676 -3.448 10.000 1.00 0.00 C ATOM 1541 CG ASP A 111 9.653 -3.826 11.487 1.00 0.00 C ATOM 1542 OD1 ASP A 111 8.635 -3.479 12.134 1.00 0.00 O ATOM 1543 OD2 ASP A 111 10.637 -4.437 11.942 1.00 0.00 O ATOM 0 H ASP A 111 10.217 -3.215 7.705 1.00 0.00 H new ATOM 0 HA ASP A 111 10.266 -5.438 9.333 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.605 -2.921 9.780 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.860 -2.755 9.796 1.00 0.00 H new ATOM 1549 N SER A 112 7.176 -4.570 8.643 1.00 0.00 N ATOM 1550 CA SER A 112 5.753 -4.976 8.636 1.00 0.00 C ATOM 1551 C SER A 112 5.448 -6.356 8.085 1.00 0.00 C ATOM 1552 O SER A 112 4.634 -7.066 8.666 1.00 0.00 O ATOM 1553 CB SER A 112 4.859 -4.058 7.815 1.00 0.00 C ATOM 1554 OG SER A 112 5.350 -2.725 7.687 1.00 0.00 O ATOM 0 H SER A 112 7.336 -3.663 8.205 1.00 0.00 H new ATOM 0 HA SER A 112 5.547 -4.938 9.706 1.00 0.00 H new ATOM 0 HB2 SER A 112 4.735 -4.485 6.820 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.871 -4.027 8.273 1.00 0.00 H new ATOM 0 HG SER A 112 6.062 -2.702 7.014 1.00 0.00 H new ATOM 1560 N ILE A 113 6.065 -6.686 6.953 1.00 0.00 N ATOM 1561 CA ILE A 113 5.837 -7.994 6.328 1.00 0.00 C ATOM 1562 C ILE A 113 6.574 -9.081 7.107 1.00 0.00 C ATOM 1563 O ILE A 113 5.969 -9.985 7.684 1.00 0.00 O ATOM 1564 CB ILE A 113 6.309 -8.257 4.892 1.00 0.00 C ATOM 1565 CG1 ILE A 113 7.327 -7.260 4.355 1.00 0.00 C ATOM 1566 CG2 ILE A 113 5.149 -8.584 3.968 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.771 -5.872 4.064 1.00 0.00 C ATOM 0 H ILE A 113 6.716 -6.080 6.454 1.00 0.00 H new ATOM 0 HA ILE A 113 4.747 -8.003 6.328 1.00 0.00 H new ATOM 0 HB ILE A 113 6.909 -9.166 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.139 -7.167 5.077 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.760 -7.662 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.525 -8.764 2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.637 -9.476 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.451 -7.747 3.950 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.569 -5.232 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 113 5.981 -5.946 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.365 -5.443 4.980 1.00 0.00 H new ATOM 1579 N GLU A 114 7.874 -8.819 7.222 1.00 0.00 N ATOM 1580 CA GLU A 114 8.883 -9.756 7.757 1.00 0.00 C ATOM 1581 C GLU A 114 8.638 -10.184 9.217 1.00 0.00 C ATOM 1582 O GLU A 114 9.071 -11.228 9.672 1.00 0.00 O ATOM 1583 CB GLU A 114 10.287 -9.226 7.496 1.00 0.00 C ATOM 1584 CG GLU A 114 10.466 -9.105 5.975 1.00 0.00 C ATOM 1585 CD GLU A 114 11.950 -8.975 5.602 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.530 -7.917 5.930 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.464 -9.941 5.009 1.00 0.00 O ATOM 0 H GLU A 114 8.275 -7.925 6.940 1.00 0.00 H new ATOM 0 HA GLU A 114 8.777 -10.691 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.425 -8.257 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.034 -9.899 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.040 -9.980 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.918 -8.236 5.609 1.00 0.00 H new ATOM 1595 N LYS A 115 7.865 -9.327 9.890 1.00 0.00 N ATOM 1596 CA LYS A 115 7.209 -9.550 11.187 1.00 0.00 C ATOM 1597 C LYS A 115 6.511 -10.924 11.255 1.00 0.00 C ATOM 1598 O LYS A 115 6.830 -11.746 12.113 1.00 0.00 O ATOM 1599 CB LYS A 115 6.212 -8.395 11.203 1.00 0.00 C ATOM 1600 CG LYS A 115 5.524 -8.162 12.546 1.00 0.00 C ATOM 1601 CD LYS A 115 4.551 -6.996 12.399 1.00 0.00 C ATOM 1602 CE LYS A 115 5.229 -5.645 12.215 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.478 -5.032 13.526 1.00 0.00 N ATOM 0 H LYS A 115 7.666 -8.397 9.521 1.00 0.00 H new ATOM 0 HA LYS A 115 7.888 -9.568 12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.731 -7.481 10.913 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.449 -8.582 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.993 -9.061 12.860 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.263 -7.943 13.317 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.900 -7.184 11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.914 -6.954 13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.169 -5.769 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.600 -4.991 11.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.941 -4.110 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.575 -4.899 14.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.095 -5.653 14.088 1.00 0.00 H new ATOM 1617 N TYR A 116 5.637 -11.162 10.291 1.00 0.00 N ATOM 1618 CA TYR A 116 4.847 -12.408 10.144 1.00 0.00 C ATOM 1619 C TYR A 116 5.409 -13.331 9.041 1.00 0.00 C ATOM 1620 O TYR A 116 5.187 -14.542 9.072 1.00 0.00 O ATOM 1621 CB TYR A 116 3.376 -12.070 9.870 1.00 0.00 C ATOM 1622 CG TYR A 116 3.160 -11.191 8.627 1.00 0.00 C ATOM 1623 CD1 TYR A 116 3.091 -11.804 7.356 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.911 -9.814 8.814 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.781 -11.020 6.235 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.596 -9.036 7.685 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.533 -9.643 6.421 1.00 0.00 C ATOM 1628 OH TYR A 116 2.138 -8.920 5.340 1.00 0.00 O ATOM 0 H TYR A 116 5.440 -10.481 9.557 1.00 0.00 H new ATOM 0 HA TYR A 116 4.921 -12.956 11.083 1.00 0.00 H new ATOM 0 HB2 TYR A 116 2.817 -12.998 9.749 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.962 -11.560 10.740 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.275 -12.863 7.249 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.961 -9.370 9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.733 -11.461 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.404 -7.978 7.790 1.00 0.00 H new ATOM 0 HH TYR A 116 1.300 -9.287 4.989 1.00 0.00 H new ATOM 1638 N LEU A 117 6.037 -12.723 8.040 1.00 0.00 N ATOM 1639 CA LEU A 117 6.745 -13.388 6.928 1.00 0.00 C ATOM 1640 C LEU A 117 8.112 -13.790 7.503 1.00 0.00 C ATOM 1641 O LEU A 117 9.185 -13.233 7.267 1.00 0.00 O ATOM 1642 CB LEU A 117 6.916 -12.372 5.816 1.00 0.00 C ATOM 1643 CG LEU A 117 7.182 -13.045 4.483 1.00 0.00 C ATOM 1644 CD1 LEU A 117 5.849 -13.482 3.890 1.00 0.00 C ATOM 1645 CD2 LEU A 117 7.916 -12.063 3.562 1.00 0.00 C ATOM 0 H LEU A 117 6.074 -11.706 7.970 1.00 0.00 H new ATOM 0 HA LEU A 117 6.217 -14.255 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.018 -11.758 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.741 -11.702 6.058 1.00 0.00 H new ATOM 0 HG LEU A 117 7.813 -13.925 4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.020 -13.969 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.360 -14.181 4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 117 5.211 -12.610 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.110 -12.541 2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.299 -11.178 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.861 -11.772 4.020 1.00 0.00 H new