USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=24 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= 1.3 X(o=2,f=1.6) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= 0.665 USER MOD Set 2.1: A 29 SER OG : rot 122:sc= 1.67 USER MOD Set 2.2: A 66 TYR OH : rot 100:sc= 1.11 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.405 K(o=0.7,f=-2.1!) USER MOD Set 3.2: A 20 SER OG : rot 80:sc= 0.378 USER MOD Set 3.3: A 21 SER OG : rot 180:sc= -0.0872 USER MOD Single : A 15 GLN : amide:sc= -1.63 K(o=-1.6,f=-5.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 MET CE :methyl -113:sc= -5.32! (180deg=-8.89!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 57:sc= -4.6! USER MOD Single : A 60 SER OG : rot -79:sc= 0.189 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= -0.015 (180deg=-0.19) USER MOD Single : A 69 ASN : amide:sc= -0.734 K(o=-0.73,f=-2.3) USER MOD Single : A 70 THR OG1 : rot -107:sc= 1.29 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0437 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.365 F(o=-3.6!,f=-0.36) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -69:sc= 0.922 USER MOD Single : A 92 LYS NZ :NH3+ -173:sc= -0.26 (180deg=-0.298) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 146:sc= 0.844 (180deg=0.0455) USER MOD Single : A 99 SER OG : rot -3:sc= 0.339 USER MOD Single : A 106 LYS NZ :NH3+ 147:sc= 0.184 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 69:sc= 0.275 USER MOD Single : A 112 SER OG : rot 76:sc= -0.0218 USER MOD Single : A 115 LYS NZ :NH3+ -161:sc= -0.0609 (180deg=-0.472) USER MOD Single : A 116 TYR OH : rot -151:sc= -0.28 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -1.473 -2.172 -10.089 1.00 0.00 N ATOM 2 CA VAL A 14 -2.932 -2.165 -10.268 1.00 0.00 C ATOM 3 C VAL A 14 -3.308 -0.919 -11.080 1.00 0.00 C ATOM 4 O VAL A 14 -2.654 0.119 -10.991 1.00 0.00 O ATOM 5 CB VAL A 14 -3.595 -2.221 -8.876 1.00 0.00 C ATOM 6 CG1 VAL A 14 -3.515 -0.926 -8.078 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.035 -2.713 -8.959 1.00 0.00 C ATOM 0 HA VAL A 14 -3.289 -3.032 -10.824 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.000 -2.946 -8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.007 -1.061 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.470 -0.662 -7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.011 -0.127 -8.630 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.469 -2.739 -7.959 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.614 -2.038 -9.589 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.053 -3.715 -9.389 1.00 0.00 H new ATOM 17 N GLN A 15 -4.411 -1.032 -11.816 1.00 0.00 N ATOM 18 CA GLN A 15 -4.957 0.113 -12.569 1.00 0.00 C ATOM 19 C GLN A 15 -5.450 1.245 -11.654 1.00 0.00 C ATOM 20 O GLN A 15 -5.230 2.426 -11.935 1.00 0.00 O ATOM 21 CB GLN A 15 -6.027 -0.296 -13.599 1.00 0.00 C ATOM 22 CG GLN A 15 -7.337 -0.893 -13.047 1.00 0.00 C ATOM 23 CD GLN A 15 -7.164 -2.319 -12.530 1.00 0.00 C ATOM 24 OE1 GLN A 15 -6.850 -2.570 -11.379 1.00 0.00 O ATOM 25 NE2 GLN A 15 -7.330 -3.293 -13.408 1.00 0.00 N ATOM 0 H GLN A 15 -4.947 -1.895 -11.912 1.00 0.00 H new ATOM 0 HA GLN A 15 -4.117 0.510 -13.138 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.279 0.583 -14.193 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.583 -1.024 -14.278 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.708 -0.261 -12.240 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.094 -0.885 -13.831 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.593 -3.074 -14.369 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.195 -4.264 -13.125 1.00 0.00 H new ATOM 34 N ASP A 16 -6.032 0.807 -10.535 1.00 0.00 N ATOM 35 CA ASP A 16 -6.599 1.603 -9.431 1.00 0.00 C ATOM 36 C ASP A 16 -7.428 0.692 -8.529 1.00 0.00 C ATOM 37 O ASP A 16 -8.227 -0.107 -9.007 1.00 0.00 O ATOM 38 CB ASP A 16 -7.510 2.742 -9.915 1.00 0.00 C ATOM 39 CG ASP A 16 -8.731 2.258 -10.717 1.00 0.00 C ATOM 40 OD1 ASP A 16 -8.573 2.081 -11.950 1.00 0.00 O ATOM 41 OD2 ASP A 16 -9.770 1.989 -10.070 1.00 0.00 O ATOM 0 H ASP A 16 -6.129 -0.193 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.756 2.046 -8.901 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.855 3.311 -9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.927 3.424 -10.534 1.00 0.00 H new ATOM 47 N VAL A 17 -7.202 0.803 -7.221 1.00 0.00 N ATOM 48 CA VAL A 17 -8.028 0.069 -6.247 1.00 0.00 C ATOM 49 C VAL A 17 -9.070 1.042 -5.646 1.00 0.00 C ATOM 50 O VAL A 17 -8.749 2.164 -5.243 1.00 0.00 O ATOM 51 CB VAL A 17 -7.173 -0.596 -5.165 1.00 0.00 C ATOM 52 CG1 VAL A 17 -7.997 -1.515 -4.267 1.00 0.00 C ATOM 53 CG2 VAL A 17 -6.058 -1.477 -5.741 1.00 0.00 C ATOM 0 H VAL A 17 -6.469 1.382 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 17 -8.550 -0.742 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.754 0.242 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.349 -1.965 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.779 -0.937 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.452 -2.301 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.487 -1.921 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.497 -2.268 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.397 -0.869 -6.359 1.00 0.00 H new ATOM 63 N ASN A 18 -10.318 0.606 -5.754 1.00 0.00 N ATOM 64 CA ASN A 18 -11.497 1.308 -5.207 1.00 0.00 C ATOM 65 C ASN A 18 -12.322 0.333 -4.355 1.00 0.00 C ATOM 66 O ASN A 18 -12.061 -0.868 -4.364 1.00 0.00 O ATOM 67 CB ASN A 18 -12.346 1.890 -6.351 1.00 0.00 C ATOM 68 CG ASN A 18 -12.846 0.822 -7.315 1.00 0.00 C ATOM 69 OD1 ASN A 18 -13.795 0.090 -7.048 1.00 0.00 O ATOM 70 ND2 ASN A 18 -12.107 0.614 -8.383 1.00 0.00 N ATOM 0 H ASN A 18 -10.556 -0.263 -6.232 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.169 2.134 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.199 2.422 -5.930 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.754 2.622 -6.901 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.318 -0.166 -9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.323 1.233 -8.589 1.00 0.00 H new ATOM 77 N ASP A 19 -13.442 0.819 -3.829 1.00 0.00 N ATOM 78 CA ASP A 19 -14.382 0.052 -2.986 1.00 0.00 C ATOM 79 C ASP A 19 -14.864 -1.274 -3.568 1.00 0.00 C ATOM 80 O ASP A 19 -14.733 -2.314 -2.925 1.00 0.00 O ATOM 81 CB ASP A 19 -15.610 0.898 -2.635 1.00 0.00 C ATOM 82 CG ASP A 19 -15.416 1.724 -1.366 1.00 0.00 C ATOM 83 OD1 ASP A 19 -15.543 1.144 -0.261 1.00 0.00 O ATOM 84 OD2 ASP A 19 -15.148 2.936 -1.497 1.00 0.00 O ATOM 0 H ASP A 19 -13.738 1.784 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.794 -0.196 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -15.835 1.566 -3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.472 0.244 -2.509 1.00 0.00 H new ATOM 90 N SER A 20 -15.390 -1.225 -4.794 1.00 0.00 N ATOM 91 CA SER A 20 -15.896 -2.420 -5.496 1.00 0.00 C ATOM 92 C SER A 20 -14.778 -3.450 -5.707 1.00 0.00 C ATOM 93 O SER A 20 -14.913 -4.612 -5.328 1.00 0.00 O ATOM 94 CB SER A 20 -16.475 -2.068 -6.870 1.00 0.00 C ATOM 95 OG SER A 20 -16.714 -0.662 -6.981 1.00 0.00 O ATOM 0 H SER A 20 -15.480 -0.363 -5.331 1.00 0.00 H new ATOM 0 HA SER A 20 -16.680 -2.837 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.785 -2.386 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 20 -17.406 -2.612 -7.026 1.00 0.00 H new ATOM 0 HG SER A 20 -15.872 -0.202 -7.179 1.00 0.00 H new ATOM 101 N SER A 21 -13.633 -2.967 -6.195 1.00 0.00 N ATOM 102 CA SER A 21 -12.461 -3.840 -6.449 1.00 0.00 C ATOM 103 C SER A 21 -11.792 -4.362 -5.185 1.00 0.00 C ATOM 104 O SER A 21 -11.202 -5.437 -5.241 1.00 0.00 O ATOM 105 CB SER A 21 -11.307 -3.159 -7.180 1.00 0.00 C ATOM 106 OG SER A 21 -11.817 -2.192 -8.074 1.00 0.00 O ATOM 0 H SER A 21 -13.483 -1.985 -6.424 1.00 0.00 H new ATOM 0 HA SER A 21 -12.923 -4.628 -7.044 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.636 -2.687 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.721 -3.899 -7.725 1.00 0.00 H new ATOM 0 HG SER A 21 -11.075 -1.755 -8.541 1.00 0.00 H new ATOM 112 N TRP A 22 -11.767 -3.563 -4.128 1.00 0.00 N ATOM 113 CA TRP A 22 -11.074 -3.853 -2.862 1.00 0.00 C ATOM 114 C TRP A 22 -11.167 -5.324 -2.458 1.00 0.00 C ATOM 115 O TRP A 22 -10.160 -5.995 -2.247 1.00 0.00 O ATOM 116 CB TRP A 22 -11.675 -2.924 -1.819 1.00 0.00 C ATOM 117 CG TRP A 22 -10.911 -3.037 -0.513 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.265 -3.792 0.520 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.660 -2.518 -0.238 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.286 -3.811 1.427 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.285 -3.048 1.006 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.787 -1.698 -0.970 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.012 -2.756 1.543 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.510 -1.434 -0.473 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.123 -1.954 0.789 1.00 0.00 C ATOM 0 H TRP A 22 -12.243 -2.661 -4.119 1.00 0.00 H new ATOM 0 HA TRP A 22 -10.004 -3.675 -2.966 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.646 -1.895 -2.178 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.723 -3.176 -1.658 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.206 -4.314 0.613 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.304 -4.330 2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.102 -1.274 -1.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.722 -3.138 2.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.818 -0.836 -1.047 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.140 -1.735 1.178 1.00 0.00 H new ATOM 136 N LYS A 23 -12.365 -5.860 -2.565 1.00 0.00 N ATOM 137 CA LYS A 23 -12.623 -7.280 -2.267 1.00 0.00 C ATOM 138 C LYS A 23 -11.898 -8.240 -3.217 1.00 0.00 C ATOM 139 O LYS A 23 -10.827 -8.718 -2.863 1.00 0.00 O ATOM 140 CB LYS A 23 -14.124 -7.526 -2.169 1.00 0.00 C ATOM 141 CG LYS A 23 -14.527 -6.761 -0.922 1.00 0.00 C ATOM 142 CD LYS A 23 -16.033 -6.639 -0.836 1.00 0.00 C ATOM 143 CE LYS A 23 -16.345 -5.868 0.443 1.00 0.00 C ATOM 144 NZ LYS A 23 -17.788 -5.664 0.465 1.00 0.00 N ATOM 0 H LYS A 23 -13.192 -5.340 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.190 -7.506 -1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.649 -7.161 -3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.352 -8.588 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.147 -7.271 -0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.076 -5.769 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.428 -6.117 -1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.499 -7.624 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.019 -6.426 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -15.819 -4.914 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.051 -5.139 1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.075 -5.121 -0.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.269 -6.586 0.462 1.00 0.00 H new ATOM 158 N GLU A 24 -12.267 -8.198 -4.474 1.00 0.00 N ATOM 159 CA GLU A 24 -11.669 -9.038 -5.534 1.00 0.00 C ATOM 160 C GLU A 24 -10.173 -8.811 -5.819 1.00 0.00 C ATOM 161 O GLU A 24 -9.508 -9.718 -6.319 1.00 0.00 O ATOM 162 CB GLU A 24 -12.500 -8.903 -6.819 1.00 0.00 C ATOM 163 CG GLU A 24 -12.736 -7.438 -7.151 1.00 0.00 C ATOM 164 CD GLU A 24 -13.614 -7.181 -8.376 1.00 0.00 C ATOM 165 OE1 GLU A 24 -13.141 -6.409 -9.241 1.00 0.00 O ATOM 166 OE2 GLU A 24 -14.744 -7.707 -8.392 1.00 0.00 O ATOM 0 H GLU A 24 -13.001 -7.577 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.702 -10.057 -5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.983 -9.390 -7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.456 -9.412 -6.696 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.195 -6.956 -6.288 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.770 -6.958 -7.309 1.00 0.00 H new ATOM 174 N PHE A 25 -9.681 -7.594 -5.631 1.00 0.00 N ATOM 175 CA PHE A 25 -8.268 -7.234 -5.875 1.00 0.00 C ATOM 176 C PHE A 25 -7.298 -7.349 -4.711 1.00 0.00 C ATOM 177 O PHE A 25 -6.142 -7.699 -4.907 1.00 0.00 O ATOM 178 CB PHE A 25 -8.141 -5.832 -6.472 1.00 0.00 C ATOM 179 CG PHE A 25 -8.194 -5.868 -8.005 1.00 0.00 C ATOM 180 CD1 PHE A 25 -9.442 -5.908 -8.670 1.00 0.00 C ATOM 181 CD2 PHE A 25 -6.980 -5.868 -8.723 1.00 0.00 C ATOM 182 CE1 PHE A 25 -9.475 -5.933 -10.078 1.00 0.00 C ATOM 183 CE2 PHE A 25 -7.004 -5.883 -10.137 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.253 -5.924 -10.801 1.00 0.00 C ATOM 0 H PHE A 25 -10.248 -6.812 -5.302 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.964 -8.010 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.944 -5.200 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.202 -5.382 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -10.361 -5.919 -8.103 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.037 -5.857 -8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.419 -5.959 -10.602 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -6.083 -5.863 -10.701 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.277 -5.949 -11.880 1.00 0.00 H new ATOM 194 N VAL A 26 -7.799 -7.065 -3.526 1.00 0.00 N ATOM 195 CA VAL A 26 -6.991 -7.056 -2.284 1.00 0.00 C ATOM 196 C VAL A 26 -7.378 -8.255 -1.416 1.00 0.00 C ATOM 197 O VAL A 26 -6.613 -9.201 -1.290 1.00 0.00 O ATOM 198 CB VAL A 26 -7.130 -5.712 -1.539 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.456 -5.704 -0.153 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.541 -4.565 -2.370 1.00 0.00 C ATOM 0 H VAL A 26 -8.780 -6.830 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.935 -7.153 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.201 -5.573 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.594 -4.728 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.906 -6.473 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.391 -5.905 -0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.650 -3.627 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.484 -4.756 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.070 -4.496 -3.321 1.00 0.00 H new ATOM 210 N LEU A 27 -8.644 -8.275 -1.016 1.00 0.00 N ATOM 211 CA LEU A 27 -9.143 -9.315 -0.092 1.00 0.00 C ATOM 212 C LEU A 27 -9.124 -10.719 -0.717 1.00 0.00 C ATOM 213 O LEU A 27 -8.865 -11.699 -0.020 1.00 0.00 O ATOM 214 CB LEU A 27 -10.509 -8.932 0.475 1.00 0.00 C ATOM 215 CG LEU A 27 -10.556 -7.522 1.101 1.00 0.00 C ATOM 216 CD1 LEU A 27 -11.924 -7.305 1.743 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.475 -7.267 2.155 1.00 0.00 C ATOM 0 H LEU A 27 -9.346 -7.595 -1.307 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.451 -9.367 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.251 -8.990 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.795 -9.664 1.231 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.371 -6.822 0.287 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.964 -6.310 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.701 -7.395 0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.086 -8.055 2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.578 -6.254 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.586 -7.982 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.490 -7.383 1.702 1.00 0.00 H new ATOM 229 N GLU A 28 -9.307 -10.769 -2.031 1.00 0.00 N ATOM 230 CA GLU A 28 -9.214 -12.012 -2.824 1.00 0.00 C ATOM 231 C GLU A 28 -8.104 -11.897 -3.875 1.00 0.00 C ATOM 232 O GLU A 28 -8.332 -11.612 -5.049 1.00 0.00 O ATOM 233 CB GLU A 28 -10.535 -12.400 -3.515 1.00 0.00 C ATOM 234 CG GLU A 28 -11.658 -12.798 -2.553 1.00 0.00 C ATOM 235 CD GLU A 28 -12.410 -11.574 -2.030 1.00 0.00 C ATOM 236 OE1 GLU A 28 -13.111 -10.934 -2.850 1.00 0.00 O ATOM 237 OE2 GLU A 28 -12.320 -11.327 -0.800 1.00 0.00 O ATOM 0 H GLU A 28 -9.527 -9.946 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.980 -12.804 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.874 -11.561 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.345 -13.230 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.355 -13.464 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.240 -13.355 -1.714 1.00 0.00 H new ATOM 245 N SER A 29 -6.883 -11.977 -3.390 1.00 0.00 N ATOM 246 CA SER A 29 -5.696 -11.972 -4.270 1.00 0.00 C ATOM 247 C SER A 29 -4.833 -13.217 -3.993 1.00 0.00 C ATOM 248 O SER A 29 -5.356 -14.295 -3.702 1.00 0.00 O ATOM 249 CB SER A 29 -5.028 -10.591 -4.149 1.00 0.00 C ATOM 250 OG SER A 29 -3.814 -10.512 -4.913 1.00 0.00 O ATOM 0 H SER A 29 -6.669 -12.047 -2.395 1.00 0.00 H new ATOM 0 HA SER A 29 -5.933 -12.078 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.721 -9.822 -4.489 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.811 -10.384 -3.101 1.00 0.00 H new ATOM 0 HG SER A 29 -3.880 -9.776 -5.557 1.00 0.00 H new ATOM 256 N GLU A 30 -3.527 -13.007 -3.890 1.00 0.00 N ATOM 257 CA GLU A 30 -2.479 -14.009 -3.620 1.00 0.00 C ATOM 258 C GLU A 30 -2.567 -14.591 -2.198 1.00 0.00 C ATOM 259 O GLU A 30 -1.977 -15.633 -1.907 1.00 0.00 O ATOM 260 CB GLU A 30 -1.185 -13.227 -3.803 1.00 0.00 C ATOM 261 CG GLU A 30 0.110 -14.035 -3.706 1.00 0.00 C ATOM 262 CD GLU A 30 1.261 -13.075 -4.001 1.00 0.00 C ATOM 263 OE1 GLU A 30 1.427 -12.742 -5.194 1.00 0.00 O ATOM 264 OE2 GLU A 30 1.816 -12.540 -3.028 1.00 0.00 O ATOM 0 H GLU A 30 -3.135 -12.072 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.566 -14.873 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.213 -12.740 -4.778 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.153 -12.437 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.218 -14.472 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.104 -14.860 -4.419 1.00 0.00 H new ATOM 272 N VAL A 31 -3.363 -13.893 -1.399 1.00 0.00 N ATOM 273 CA VAL A 31 -3.660 -14.055 0.043 1.00 0.00 C ATOM 274 C VAL A 31 -2.760 -13.141 0.900 1.00 0.00 C ATOM 275 O VAL A 31 -3.328 -12.146 1.365 1.00 0.00 O ATOM 276 CB VAL A 31 -3.941 -15.501 0.476 1.00 0.00 C ATOM 277 CG1 VAL A 31 -4.169 -15.636 1.984 1.00 0.00 C ATOM 278 CG2 VAL A 31 -5.209 -15.997 -0.243 1.00 0.00 C ATOM 0 H VAL A 31 -3.884 -13.103 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.651 -13.659 0.267 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.063 -16.092 0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.363 -16.680 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.282 -15.296 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.025 -15.029 2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.419 -17.024 0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.052 -15.361 0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.055 -15.958 -1.321 1.00 0.00 H new ATOM 288 N PRO A 32 -1.416 -13.273 0.986 1.00 0.00 N ATOM 289 CA PRO A 32 -0.598 -12.218 1.609 1.00 0.00 C ATOM 290 C PRO A 32 -0.590 -11.046 0.621 1.00 0.00 C ATOM 291 O PRO A 32 -0.246 -11.189 -0.557 1.00 0.00 O ATOM 292 CB PRO A 32 0.795 -12.816 1.791 1.00 0.00 C ATOM 293 CG PRO A 32 0.611 -14.313 1.602 1.00 0.00 C ATOM 294 CD PRO A 32 -0.570 -14.433 0.636 1.00 0.00 C ATOM 0 HA PRO A 32 -0.967 -11.869 2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.497 -12.410 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.195 -12.590 2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.509 -14.775 1.191 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.402 -14.810 2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.245 -14.394 -0.404 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.104 -15.374 0.768 1.00 0.00 H new ATOM 302 N VAL A 33 -1.304 -10.000 1.027 1.00 0.00 N ATOM 303 CA VAL A 33 -1.532 -8.805 0.205 1.00 0.00 C ATOM 304 C VAL A 33 -1.040 -7.558 0.937 1.00 0.00 C ATOM 305 O VAL A 33 -1.307 -7.361 2.118 1.00 0.00 O ATOM 306 CB VAL A 33 -3.039 -8.723 -0.143 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.404 -7.446 -0.900 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.484 -9.917 -0.982 1.00 0.00 C ATOM 0 H VAL A 33 -1.747 -9.953 1.945 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.966 -8.868 -0.725 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.556 -8.723 0.816 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.472 -7.444 -1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.156 -6.578 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.844 -7.404 -1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.547 -9.827 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.916 -9.940 -1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.308 -10.838 -0.426 1.00 0.00 H new ATOM 318 N MET A 34 -0.416 -6.689 0.139 1.00 0.00 N ATOM 319 CA MET A 34 0.087 -5.393 0.609 1.00 0.00 C ATOM 320 C MET A 34 -0.593 -4.276 -0.191 1.00 0.00 C ATOM 321 O MET A 34 -0.820 -4.367 -1.392 1.00 0.00 O ATOM 322 CB MET A 34 1.603 -5.341 0.418 1.00 0.00 C ATOM 323 CG MET A 34 2.191 -4.086 1.068 1.00 0.00 C ATOM 324 SD MET A 34 4.006 -3.932 0.884 1.00 0.00 S ATOM 325 CE MET A 34 4.554 -5.341 1.841 1.00 0.00 C ATOM 0 H MET A 34 -0.244 -6.862 -0.851 1.00 0.00 H new ATOM 0 HA MET A 34 -0.138 -5.261 1.667 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.060 -6.230 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.840 -5.350 -0.646 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.716 -3.207 0.632 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.943 -4.089 2.129 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.080 -4.994 2.730 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.691 -5.936 2.139 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.225 -5.952 1.237 1.00 0.00 H new ATOM 335 N VAL A 35 -0.858 -3.191 0.520 1.00 0.00 N ATOM 336 CA VAL A 35 -1.532 -2.024 -0.075 1.00 0.00 C ATOM 337 C VAL A 35 -0.961 -0.694 0.420 1.00 0.00 C ATOM 338 O VAL A 35 -0.687 -0.519 1.604 1.00 0.00 O ATOM 339 CB VAL A 35 -3.053 -2.153 0.175 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.405 -2.122 1.660 1.00 0.00 C ATOM 341 CG2 VAL A 35 -3.842 -1.086 -0.580 1.00 0.00 C ATOM 0 H VAL A 35 -0.622 -3.084 1.507 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.348 -2.017 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.341 -3.131 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.484 -2.216 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.910 -2.949 2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.073 -1.179 2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.906 -1.210 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.523 -0.097 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.661 -1.188 -1.650 1.00 0.00 H new ATOM 351 N ASP A 36 -0.862 0.224 -0.529 1.00 0.00 N ATOM 352 CA ASP A 36 -0.537 1.634 -0.245 1.00 0.00 C ATOM 353 C ASP A 36 -1.788 2.493 -0.472 1.00 0.00 C ATOM 354 O ASP A 36 -2.520 2.304 -1.444 1.00 0.00 O ATOM 355 CB ASP A 36 0.607 2.158 -1.118 1.00 0.00 C ATOM 356 CG ASP A 36 0.286 2.178 -2.608 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.561 1.138 -3.245 1.00 0.00 O ATOM 358 OD2 ASP A 36 -0.267 3.212 -3.055 1.00 0.00 O ATOM 0 H ASP A 36 -1.002 0.024 -1.519 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.208 1.696 0.792 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.863 3.168 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.489 1.539 -0.954 1.00 0.00 H new ATOM 364 N PHE A 37 -2.082 3.310 0.532 1.00 0.00 N ATOM 365 CA PHE A 37 -3.124 4.341 0.432 1.00 0.00 C ATOM 366 C PHE A 37 -2.425 5.659 0.131 1.00 0.00 C ATOM 367 O PHE A 37 -1.522 6.087 0.847 1.00 0.00 O ATOM 368 CB PHE A 37 -3.926 4.510 1.730 1.00 0.00 C ATOM 369 CG PHE A 37 -4.861 3.350 2.102 1.00 0.00 C ATOM 370 CD1 PHE A 37 -4.474 1.990 1.933 1.00 0.00 C ATOM 371 CD2 PHE A 37 -6.163 3.673 2.543 1.00 0.00 C ATOM 372 CE1 PHE A 37 -5.413 0.962 2.162 1.00 0.00 C ATOM 373 CE2 PHE A 37 -7.101 2.645 2.772 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.721 1.302 2.566 1.00 0.00 C ATOM 0 H PHE A 37 -1.611 3.282 1.437 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.826 4.043 -0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.224 4.661 2.550 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.522 5.419 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.466 1.746 1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.440 4.704 2.704 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.134 -0.073 2.030 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -8.101 2.884 3.102 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.447 0.518 2.721 1.00 0.00 H new ATOM 384 N TRP A 38 -2.861 6.255 -0.971 1.00 0.00 N ATOM 385 CA TRP A 38 -2.290 7.521 -1.462 1.00 0.00 C ATOM 386 C TRP A 38 -3.353 8.628 -1.413 1.00 0.00 C ATOM 387 O TRP A 38 -4.539 8.383 -1.636 1.00 0.00 O ATOM 388 CB TRP A 38 -1.693 7.318 -2.862 1.00 0.00 C ATOM 389 CG TRP A 38 -2.725 7.183 -3.994 1.00 0.00 C ATOM 390 CD1 TRP A 38 -3.319 6.057 -4.354 1.00 0.00 C ATOM 391 CD2 TRP A 38 -3.296 8.210 -4.738 1.00 0.00 C ATOM 392 NE1 TRP A 38 -4.216 6.292 -5.302 1.00 0.00 N ATOM 393 CE2 TRP A 38 -4.296 7.602 -5.521 1.00 0.00 C ATOM 394 CE3 TRP A 38 -3.194 9.619 -4.688 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -5.246 8.379 -6.202 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -4.136 10.400 -5.366 1.00 0.00 C ATOM 397 CH2 TRP A 38 -5.170 9.791 -6.117 1.00 0.00 C ATOM 0 H TRP A 38 -3.614 5.886 -1.552 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.473 7.841 -0.816 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.037 8.159 -3.087 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -1.071 6.423 -2.849 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -3.104 5.085 -3.935 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -4.760 5.579 -5.788 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.396 10.088 -4.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.024 7.907 -6.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -4.074 11.477 -5.316 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -5.901 10.403 -6.625 1.00 0.00 H new ATOM 408 N ALA A 39 -2.873 9.862 -1.413 1.00 0.00 N ATOM 409 CA ALA A 39 -3.735 11.027 -1.189 1.00 0.00 C ATOM 410 C ALA A 39 -3.570 12.047 -2.330 1.00 0.00 C ATOM 411 O ALA A 39 -2.448 12.229 -2.791 1.00 0.00 O ATOM 412 CB ALA A 39 -3.333 11.654 0.146 1.00 0.00 C ATOM 0 H ALA A 39 -1.890 10.089 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.781 10.723 -1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.958 12.525 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.467 10.925 0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.287 11.959 0.104 1.00 0.00 H new ATOM 418 N PRO A 40 -4.654 12.718 -2.755 1.00 0.00 N ATOM 419 CA PRO A 40 -4.601 13.686 -3.875 1.00 0.00 C ATOM 420 C PRO A 40 -3.624 14.843 -3.638 1.00 0.00 C ATOM 421 O PRO A 40 -2.944 15.293 -4.558 1.00 0.00 O ATOM 422 CB PRO A 40 -6.043 14.134 -4.068 1.00 0.00 C ATOM 423 CG PRO A 40 -6.679 13.941 -2.687 1.00 0.00 C ATOM 424 CD PRO A 40 -6.003 12.673 -2.153 1.00 0.00 C ATOM 0 HA PRO A 40 -4.202 13.229 -4.780 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.098 15.174 -4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.548 13.537 -4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.495 14.797 -2.038 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.760 13.820 -2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.956 12.672 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.545 11.775 -2.450 1.00 0.00 H new ATOM 557 N ALA A 49 4.656 5.394 -5.109 1.00 0.00 N ATOM 558 CA ALA A 49 4.641 4.233 -4.150 1.00 0.00 C ATOM 559 C ALA A 49 6.017 3.576 -3.934 1.00 0.00 C ATOM 560 O ALA A 49 6.097 2.366 -3.725 1.00 0.00 O ATOM 561 CB ALA A 49 3.499 3.321 -4.599 1.00 0.00 C ATOM 0 HA ALA A 49 4.439 4.559 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.441 2.458 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.558 3.871 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.683 2.983 -5.619 1.00 0.00 H new ATOM 567 N PRO A 50 7.021 4.378 -3.537 1.00 0.00 N ATOM 568 CA PRO A 50 8.437 3.965 -3.581 1.00 0.00 C ATOM 569 C PRO A 50 8.780 2.749 -2.718 1.00 0.00 C ATOM 570 O PRO A 50 9.040 1.672 -3.261 1.00 0.00 O ATOM 571 CB PRO A 50 9.221 5.216 -3.204 1.00 0.00 C ATOM 572 CG PRO A 50 8.269 6.091 -2.388 1.00 0.00 C ATOM 573 CD PRO A 50 6.857 5.630 -2.755 1.00 0.00 C ATOM 0 HA PRO A 50 8.698 3.603 -4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.107 4.959 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.565 5.742 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.452 5.976 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.409 7.146 -2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.260 5.455 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.339 6.390 -3.340 1.00 0.00 H new ATOM 581 N VAL A 51 8.647 2.909 -1.401 1.00 0.00 N ATOM 582 CA VAL A 51 8.886 1.831 -0.413 1.00 0.00 C ATOM 583 C VAL A 51 8.059 0.574 -0.761 1.00 0.00 C ATOM 584 O VAL A 51 8.642 -0.491 -0.940 1.00 0.00 O ATOM 585 CB VAL A 51 8.597 2.365 1.005 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.840 1.280 2.058 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.498 3.560 1.365 1.00 0.00 C ATOM 0 H VAL A 51 8.369 3.794 -0.976 1.00 0.00 H new ATOM 0 HA VAL A 51 9.931 1.524 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 51 7.553 2.677 1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.629 1.681 3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.185 0.431 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.879 0.954 2.012 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.261 3.904 2.372 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.543 3.253 1.323 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.329 4.370 0.655 1.00 0.00 H new ATOM 597 N ILE A 52 6.810 0.786 -1.156 1.00 0.00 N ATOM 598 CA ILE A 52 5.889 -0.289 -1.563 1.00 0.00 C ATOM 599 C ILE A 52 6.363 -1.018 -2.831 1.00 0.00 C ATOM 600 O ILE A 52 6.520 -2.237 -2.821 1.00 0.00 O ATOM 601 CB ILE A 52 4.479 0.351 -1.626 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.795 0.369 -0.249 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.528 -0.234 -2.674 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.544 1.143 0.832 1.00 0.00 C ATOM 0 H ILE A 52 6.395 1.716 -1.206 1.00 0.00 H new ATOM 0 HA ILE A 52 5.860 -1.107 -0.843 1.00 0.00 H new ATOM 0 HB ILE A 52 4.682 1.371 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.800 0.800 -0.360 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.662 -0.659 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.572 0.288 -2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.962 -0.113 -3.667 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.372 -1.294 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.984 1.098 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.530 0.702 0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.654 2.183 0.525 1.00 0.00 H new ATOM 616 N ASP A 53 6.788 -0.227 -3.815 1.00 0.00 N ATOM 617 CA ASP A 53 7.342 -0.766 -5.081 1.00 0.00 C ATOM 618 C ASP A 53 8.664 -1.544 -4.907 1.00 0.00 C ATOM 619 O ASP A 53 8.970 -2.469 -5.659 1.00 0.00 O ATOM 620 CB ASP A 53 7.466 0.309 -6.156 1.00 0.00 C ATOM 621 CG ASP A 53 6.103 0.647 -6.774 1.00 0.00 C ATOM 622 OD1 ASP A 53 5.717 -0.048 -7.729 1.00 0.00 O ATOM 623 OD2 ASP A 53 5.480 1.610 -6.273 1.00 0.00 O ATOM 0 H ASP A 53 6.764 0.792 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 53 6.610 -1.498 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.904 1.209 -5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.146 -0.032 -6.937 1.00 0.00 H new ATOM 629 N GLU A 54 9.384 -1.181 -3.854 1.00 0.00 N ATOM 630 CA GLU A 54 10.601 -1.884 -3.394 1.00 0.00 C ATOM 631 C GLU A 54 10.276 -3.184 -2.653 1.00 0.00 C ATOM 632 O GLU A 54 10.787 -4.247 -2.998 1.00 0.00 O ATOM 633 CB GLU A 54 11.400 -1.001 -2.444 1.00 0.00 C ATOM 634 CG GLU A 54 11.969 0.272 -3.071 1.00 0.00 C ATOM 635 CD GLU A 54 13.010 -0.009 -4.155 1.00 0.00 C ATOM 636 OE1 GLU A 54 14.196 -0.107 -3.777 1.00 0.00 O ATOM 637 OE2 GLU A 54 12.607 -0.043 -5.343 1.00 0.00 O ATOM 0 H GLU A 54 9.144 -0.375 -3.276 1.00 0.00 H new ATOM 0 HA GLU A 54 11.176 -2.116 -4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.760 -0.721 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.224 -1.586 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.154 0.855 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.421 0.884 -2.291 1.00 0.00 H new ATOM 645 N LEU A 55 9.330 -3.107 -1.710 1.00 0.00 N ATOM 646 CA LEU A 55 8.885 -4.296 -0.956 1.00 0.00 C ATOM 647 C LEU A 55 8.260 -5.362 -1.867 1.00 0.00 C ATOM 648 O LEU A 55 8.488 -6.553 -1.673 1.00 0.00 O ATOM 649 CB LEU A 55 7.891 -3.917 0.156 1.00 0.00 C ATOM 650 CG LEU A 55 8.388 -2.835 1.140 1.00 0.00 C ATOM 651 CD1 LEU A 55 7.284 -2.476 2.127 1.00 0.00 C ATOM 652 CD2 LEU A 55 9.669 -3.253 1.868 1.00 0.00 C ATOM 0 H LEU A 55 8.857 -2.242 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 55 9.780 -4.721 -0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.968 -3.568 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.644 -4.815 0.722 1.00 0.00 H new ATOM 0 HG LEU A 55 8.640 -1.949 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.646 -1.712 2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.420 -2.094 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.996 -3.364 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.977 -2.458 2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.484 -4.165 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.459 -3.434 1.139 1.00 0.00 H new ATOM 664 N ALA A 56 7.771 -4.888 -3.010 1.00 0.00 N ATOM 665 CA ALA A 56 7.168 -5.694 -4.090 1.00 0.00 C ATOM 666 C ALA A 56 8.126 -6.788 -4.582 1.00 0.00 C ATOM 667 O ALA A 56 7.828 -7.970 -4.540 1.00 0.00 O ATOM 668 CB ALA A 56 6.798 -4.754 -5.238 1.00 0.00 C ATOM 0 H ALA A 56 7.780 -3.891 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 56 6.280 -6.197 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.350 -5.329 -6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.085 -4.010 -4.883 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.695 -4.253 -5.601 1.00 0.00 H new ATOM 674 N LYS A 57 9.334 -6.356 -4.947 1.00 0.00 N ATOM 675 CA LYS A 57 10.421 -7.250 -5.393 1.00 0.00 C ATOM 676 C LYS A 57 11.225 -7.900 -4.257 1.00 0.00 C ATOM 677 O LYS A 57 11.799 -8.970 -4.439 1.00 0.00 O ATOM 678 CB LYS A 57 11.320 -6.535 -6.409 1.00 0.00 C ATOM 679 CG LYS A 57 11.909 -5.245 -5.844 1.00 0.00 C ATOM 680 CD LYS A 57 12.814 -4.567 -6.859 1.00 0.00 C ATOM 681 CE LYS A 57 13.395 -3.316 -6.213 1.00 0.00 C ATOM 682 NZ LYS A 57 14.319 -2.677 -7.158 1.00 0.00 N ATOM 0 H LYS A 57 9.595 -5.370 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 57 9.936 -8.093 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.129 -7.201 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.744 -6.308 -7.306 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.104 -4.567 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.474 -5.466 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.612 -5.242 -7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.252 -4.306 -7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.596 -2.626 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.917 -3.575 -5.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.721 -1.821 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 15.086 -3.338 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.805 -2.418 -8.025 1.00 0.00 H new ATOM 696 N GLU A 58 11.210 -7.256 -3.097 1.00 0.00 N ATOM 697 CA GLU A 58 11.846 -7.780 -1.870 1.00 0.00 C ATOM 698 C GLU A 58 11.174 -9.092 -1.424 1.00 0.00 C ATOM 699 O GLU A 58 11.847 -10.036 -1.011 1.00 0.00 O ATOM 700 CB GLU A 58 11.711 -6.701 -0.793 1.00 0.00 C ATOM 701 CG GLU A 58 12.997 -6.505 0.002 1.00 0.00 C ATOM 702 CD GLU A 58 12.916 -5.294 0.939 1.00 0.00 C ATOM 703 OE1 GLU A 58 13.154 -5.484 2.147 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.711 -4.170 0.414 1.00 0.00 O ATOM 0 H GLU A 58 10.757 -6.351 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 58 12.897 -8.008 -2.049 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.430 -5.758 -1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.904 -6.971 -0.112 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.202 -7.402 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.832 -6.375 -0.686 1.00 0.00 H new ATOM 712 N TYR A 59 9.848 -9.101 -1.525 1.00 0.00 N ATOM 713 CA TYR A 59 9.023 -10.303 -1.300 1.00 0.00 C ATOM 714 C TYR A 59 8.361 -10.774 -2.591 1.00 0.00 C ATOM 715 O TYR A 59 7.130 -10.756 -2.764 1.00 0.00 O ATOM 716 CB TYR A 59 7.904 -10.051 -0.285 1.00 0.00 C ATOM 717 CG TYR A 59 8.331 -9.438 1.032 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.325 -10.081 1.796 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.091 -8.051 1.050 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.200 -9.266 2.534 1.00 0.00 C ATOM 721 CE2 TYR A 59 8.977 -7.246 1.771 1.00 0.00 C ATOM 722 CZ TYR A 59 10.012 -7.874 2.464 1.00 0.00 C ATOM 723 OH TYR A 59 11.033 -7.089 2.841 1.00 0.00 O ATOM 0 H TYR A 59 9.304 -8.273 -1.767 1.00 0.00 H new ATOM 0 HA TYR A 59 9.708 -11.061 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.163 -9.397 -0.745 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.407 -10.999 -0.078 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.411 -11.157 1.814 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.250 -7.623 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.989 -9.694 3.134 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.864 -6.172 1.791 1.00 0.00 H new ATOM 0 HH TYR A 59 11.827 -7.307 2.309 1.00 0.00 H new ATOM 733 N SER A 60 9.212 -11.220 -3.504 1.00 0.00 N ATOM 734 CA SER A 60 8.753 -11.799 -4.779 1.00 0.00 C ATOM 735 C SER A 60 7.981 -13.109 -4.583 1.00 0.00 C ATOM 736 O SER A 60 8.460 -14.074 -3.994 1.00 0.00 O ATOM 737 CB SER A 60 9.869 -11.997 -5.797 1.00 0.00 C ATOM 738 OG SER A 60 11.140 -12.010 -5.152 1.00 0.00 O ATOM 0 H SER A 60 10.226 -11.196 -3.395 1.00 0.00 H new ATOM 0 HA SER A 60 8.072 -11.053 -5.189 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.718 -12.934 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.839 -11.198 -6.538 1.00 0.00 H new ATOM 0 HG SER A 60 11.416 -11.091 -4.954 1.00 0.00 H new ATOM 744 N GLY A 61 6.690 -12.942 -4.832 1.00 0.00 N ATOM 745 CA GLY A 61 5.687 -14.018 -4.717 1.00 0.00 C ATOM 746 C GLY A 61 4.881 -13.942 -3.405 1.00 0.00 C ATOM 747 O GLY A 61 3.757 -14.434 -3.354 1.00 0.00 O ATOM 0 H GLY A 61 6.294 -12.049 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.002 -13.963 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.188 -14.984 -4.775 1.00 0.00 H new ATOM 751 N LYS A 62 5.500 -13.335 -2.385 1.00 0.00 N ATOM 752 CA LYS A 62 4.919 -13.174 -1.034 1.00 0.00 C ATOM 753 C LYS A 62 3.709 -12.246 -0.948 1.00 0.00 C ATOM 754 O LYS A 62 2.644 -12.680 -0.519 1.00 0.00 O ATOM 755 CB LYS A 62 5.939 -12.694 0.001 1.00 0.00 C ATOM 756 CG LYS A 62 6.692 -13.877 0.626 1.00 0.00 C ATOM 757 CD LYS A 62 7.639 -14.630 -0.316 1.00 0.00 C ATOM 758 CE LYS A 62 9.080 -14.146 -0.192 1.00 0.00 C ATOM 759 NZ LYS A 62 9.907 -15.019 -1.025 1.00 0.00 N ATOM 0 H LYS A 62 6.434 -12.933 -2.470 1.00 0.00 H new ATOM 0 HA LYS A 62 4.586 -14.187 -0.809 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.649 -12.016 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.430 -12.129 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.269 -13.510 1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.961 -14.584 1.019 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.596 -15.697 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.302 -14.503 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.166 -13.110 -0.518 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.409 -14.182 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.900 -14.717 -0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.822 -16.000 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.587 -14.961 -2.013 1.00 0.00 H new ATOM 773 N ILE A 63 3.907 -10.977 -1.293 1.00 0.00 N ATOM 774 CA ILE A 63 2.836 -9.968 -1.151 1.00 0.00 C ATOM 775 C ILE A 63 2.372 -9.384 -2.484 1.00 0.00 C ATOM 776 O ILE A 63 3.159 -9.049 -3.374 1.00 0.00 O ATOM 777 CB ILE A 63 3.185 -8.886 -0.116 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.577 -8.260 -0.283 1.00 0.00 C ATOM 779 CG2 ILE A 63 2.988 -9.438 1.306 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.645 -7.198 -1.381 1.00 0.00 C ATOM 0 H ILE A 63 4.784 -10.616 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 63 1.973 -10.505 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 63 2.492 -8.064 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.880 -7.812 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.296 -9.048 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.237 -8.666 2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.949 -9.740 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.638 -10.300 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.658 -6.801 -1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.374 -7.645 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.952 -6.390 -1.149 1.00 0.00 H new ATOM 792 N ALA A 64 1.060 -9.411 -2.630 1.00 0.00 N ATOM 793 CA ALA A 64 0.379 -8.789 -3.776 1.00 0.00 C ATOM 794 C ALA A 64 0.088 -7.305 -3.492 1.00 0.00 C ATOM 795 O ALA A 64 -0.679 -6.962 -2.601 1.00 0.00 O ATOM 796 CB ALA A 64 -0.899 -9.578 -4.087 1.00 0.00 C ATOM 0 H ALA A 64 0.429 -9.860 -1.966 1.00 0.00 H new ATOM 0 HA ALA A 64 1.024 -8.820 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.410 -9.123 -4.936 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.640 -10.609 -4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.556 -9.563 -3.218 1.00 0.00 H new ATOM 802 N VAL A 65 0.952 -6.483 -4.072 1.00 0.00 N ATOM 803 CA VAL A 65 0.950 -5.010 -3.954 1.00 0.00 C ATOM 804 C VAL A 65 -0.107 -4.264 -4.788 1.00 0.00 C ATOM 805 O VAL A 65 -0.211 -4.453 -5.996 1.00 0.00 O ATOM 806 CB VAL A 65 2.373 -4.449 -4.182 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.089 -4.300 -2.849 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.224 -5.211 -5.204 1.00 0.00 C ATOM 0 H VAL A 65 1.708 -6.826 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 65 0.637 -4.811 -2.929 1.00 0.00 H new ATOM 0 HB VAL A 65 2.237 -3.470 -4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.091 -3.904 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.531 -3.615 -2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.160 -5.273 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.202 -4.737 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.349 -6.243 -4.876 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.728 -5.196 -6.174 1.00 0.00 H new ATOM 818 N TYR A 66 -0.931 -3.501 -4.068 1.00 0.00 N ATOM 819 CA TYR A 66 -2.038 -2.692 -4.622 1.00 0.00 C ATOM 820 C TYR A 66 -2.027 -1.215 -4.185 1.00 0.00 C ATOM 821 O TYR A 66 -1.542 -0.870 -3.109 1.00 0.00 O ATOM 822 CB TYR A 66 -3.374 -3.323 -4.209 1.00 0.00 C ATOM 823 CG TYR A 66 -3.568 -4.710 -4.823 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.854 -4.837 -6.201 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.274 -5.831 -4.023 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.803 -6.115 -6.795 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.215 -7.105 -4.613 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.479 -7.231 -5.990 1.00 0.00 C ATOM 829 OH TYR A 66 -3.505 -8.472 -6.553 1.00 0.00 O ATOM 0 H TYR A 66 -0.851 -3.421 -3.054 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.904 -2.693 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.419 -3.398 -3.123 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.193 -2.673 -4.517 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -4.108 -3.968 -6.790 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.095 -5.713 -2.964 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -4.008 -6.239 -7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.971 -7.974 -4.019 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.592 -8.747 -6.780 1.00 0.00 H new ATOM 839 N LYS A 67 -2.695 -0.397 -4.990 1.00 0.00 N ATOM 840 CA LYS A 67 -2.782 1.063 -4.815 1.00 0.00 C ATOM 841 C LYS A 67 -4.217 1.553 -4.596 1.00 0.00 C ATOM 842 O LYS A 67 -4.999 1.656 -5.547 1.00 0.00 O ATOM 843 CB LYS A 67 -2.247 1.793 -6.053 1.00 0.00 C ATOM 844 CG LYS A 67 -0.730 1.791 -6.171 1.00 0.00 C ATOM 845 CD LYS A 67 -0.089 0.463 -6.599 1.00 0.00 C ATOM 846 CE LYS A 67 1.440 0.514 -6.533 1.00 0.00 C ATOM 847 NZ LYS A 67 1.941 1.510 -7.495 1.00 0.00 N ATOM 0 H LYS A 67 -3.207 -0.731 -5.806 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.185 1.284 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.670 1.331 -6.945 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.597 2.825 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.440 2.559 -6.888 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.310 2.080 -5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.453 -0.338 -5.956 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.400 0.222 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.762 0.773 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.857 -0.467 -6.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.975 1.427 -7.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.508 1.342 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.695 2.465 -7.166 1.00 0.00 H new ATOM 861 N LEU A 68 -4.523 1.876 -3.354 1.00 0.00 N ATOM 862 CA LEU A 68 -5.849 2.413 -2.984 1.00 0.00 C ATOM 863 C LEU A 68 -5.962 3.906 -3.305 1.00 0.00 C ATOM 864 O LEU A 68 -5.413 4.775 -2.622 1.00 0.00 O ATOM 865 CB LEU A 68 -6.220 2.109 -1.527 1.00 0.00 C ATOM 866 CG LEU A 68 -7.688 2.418 -1.127 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.951 3.876 -0.787 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.702 1.816 -2.106 1.00 0.00 C ATOM 0 H LEU A 68 -3.878 1.781 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.582 1.892 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.025 1.054 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.558 2.680 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.844 1.901 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.000 4.004 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.323 4.173 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.719 4.499 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.713 2.062 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.533 2.225 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.583 0.733 -2.133 1.00 0.00 H new ATOM 880 N ASN A 69 -6.870 4.150 -4.235 1.00 0.00 N ATOM 881 CA ASN A 69 -7.266 5.494 -4.673 1.00 0.00 C ATOM 882 C ASN A 69 -8.306 6.010 -3.693 1.00 0.00 C ATOM 883 O ASN A 69 -9.486 5.664 -3.755 1.00 0.00 O ATOM 884 CB ASN A 69 -7.761 5.426 -6.109 1.00 0.00 C ATOM 885 CG ASN A 69 -6.667 5.032 -7.118 1.00 0.00 C ATOM 886 OD1 ASN A 69 -5.914 4.086 -6.959 1.00 0.00 O ATOM 887 ND2 ASN A 69 -6.568 5.768 -8.200 1.00 0.00 N ATOM 0 H ASN A 69 -7.369 3.406 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.431 6.194 -4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.577 4.706 -6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.171 6.396 -6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.863 5.548 -8.904 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.196 6.560 -8.337 1.00 0.00 H new ATOM 894 N THR A 70 -7.812 6.755 -2.714 1.00 0.00 N ATOM 895 CA THR A 70 -8.626 7.290 -1.604 1.00 0.00 C ATOM 896 C THR A 70 -9.901 8.026 -2.047 1.00 0.00 C ATOM 897 O THR A 70 -11.012 7.658 -1.650 1.00 0.00 O ATOM 898 CB THR A 70 -7.782 8.211 -0.733 1.00 0.00 C ATOM 899 OG1 THR A 70 -7.116 9.181 -1.562 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.802 7.381 0.104 1.00 0.00 C ATOM 0 H THR A 70 -6.827 7.014 -2.657 1.00 0.00 H new ATOM 0 HA THR A 70 -8.959 6.419 -1.039 1.00 0.00 H new ATOM 0 HB THR A 70 -8.417 8.758 -0.036 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.163 8.962 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.201 8.045 0.725 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.359 6.694 0.741 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.148 6.813 -0.558 1.00 0.00 H new ATOM 908 N ASP A 71 -9.717 8.805 -3.099 1.00 0.00 N ATOM 909 CA ASP A 71 -10.759 9.575 -3.812 1.00 0.00 C ATOM 910 C ASP A 71 -11.846 8.679 -4.435 1.00 0.00 C ATOM 911 O ASP A 71 -12.980 9.112 -4.644 1.00 0.00 O ATOM 912 CB ASP A 71 -10.107 10.394 -4.943 1.00 0.00 C ATOM 913 CG ASP A 71 -8.978 11.290 -4.435 1.00 0.00 C ATOM 914 OD1 ASP A 71 -7.853 10.757 -4.322 1.00 0.00 O ATOM 915 OD2 ASP A 71 -9.257 12.475 -4.156 1.00 0.00 O ATOM 0 H ASP A 71 -8.793 8.934 -3.512 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.235 10.219 -3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.716 9.715 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.866 11.009 -5.427 1.00 0.00 H new ATOM 921 N GLU A 72 -11.426 7.485 -4.830 1.00 0.00 N ATOM 922 CA GLU A 72 -12.289 6.448 -5.420 1.00 0.00 C ATOM 923 C GLU A 72 -12.959 5.543 -4.378 1.00 0.00 C ATOM 924 O GLU A 72 -13.811 4.713 -4.702 1.00 0.00 O ATOM 925 CB GLU A 72 -11.378 5.606 -6.300 1.00 0.00 C ATOM 926 CG GLU A 72 -11.685 5.843 -7.776 1.00 0.00 C ATOM 927 CD GLU A 72 -10.432 5.502 -8.581 1.00 0.00 C ATOM 928 OE1 GLU A 72 -10.298 4.324 -8.958 1.00 0.00 O ATOM 929 OE2 GLU A 72 -9.585 6.410 -8.712 1.00 0.00 O ATOM 0 H GLU A 72 -10.451 7.194 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.103 6.926 -5.965 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.336 5.854 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.508 4.550 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.523 5.223 -8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.974 6.881 -7.943 1.00 0.00 H new ATOM 937 N ALA A 73 -12.401 5.585 -3.176 1.00 0.00 N ATOM 938 CA ALA A 73 -12.846 4.775 -2.040 1.00 0.00 C ATOM 939 C ALA A 73 -13.036 5.553 -0.715 1.00 0.00 C ATOM 940 O ALA A 73 -12.378 5.243 0.279 1.00 0.00 O ATOM 941 CB ALA A 73 -11.890 3.590 -1.944 1.00 0.00 C ATOM 0 H ALA A 73 -11.612 6.192 -2.954 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.862 4.424 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.182 2.954 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.930 3.015 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.875 3.954 -1.786 1.00 0.00 H new ATOM 947 N PRO A 74 -14.080 6.409 -0.629 1.00 0.00 N ATOM 948 CA PRO A 74 -14.419 7.137 0.622 1.00 0.00 C ATOM 949 C PRO A 74 -15.222 6.274 1.614 1.00 0.00 C ATOM 950 O PRO A 74 -16.041 6.745 2.404 1.00 0.00 O ATOM 951 CB PRO A 74 -15.160 8.386 0.132 1.00 0.00 C ATOM 952 CG PRO A 74 -15.877 7.917 -1.137 1.00 0.00 C ATOM 953 CD PRO A 74 -14.922 6.885 -1.743 1.00 0.00 C ATOM 0 HA PRO A 74 -13.539 7.403 1.208 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.866 8.750 0.878 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.470 9.203 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.847 7.476 -0.907 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -16.057 8.745 -1.823 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.474 6.061 -2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -14.313 7.331 -2.530 1.00 0.00 H new ATOM 961 N GLY A 75 -14.818 5.016 1.647 1.00 0.00 N ATOM 962 CA GLY A 75 -15.360 3.913 2.484 1.00 0.00 C ATOM 963 C GLY A 75 -14.224 3.003 2.967 1.00 0.00 C ATOM 964 O GLY A 75 -14.158 2.647 4.135 1.00 0.00 O ATOM 0 H GLY A 75 -14.051 4.697 1.056 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.893 4.326 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.081 3.332 1.909 1.00 0.00 H new ATOM 968 N ILE A 76 -13.279 2.710 2.069 1.00 0.00 N ATOM 969 CA ILE A 76 -12.071 1.946 2.409 1.00 0.00 C ATOM 970 C ILE A 76 -11.165 2.708 3.398 1.00 0.00 C ATOM 971 O ILE A 76 -10.954 2.239 4.518 1.00 0.00 O ATOM 972 CB ILE A 76 -11.376 1.533 1.098 1.00 0.00 C ATOM 973 CG1 ILE A 76 -12.271 0.652 0.214 1.00 0.00 C ATOM 974 CG2 ILE A 76 -10.024 0.865 1.329 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.783 -0.638 0.870 1.00 0.00 C ATOM 0 H ILE A 76 -13.327 2.993 1.090 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.335 1.036 2.948 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.191 2.464 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.130 1.242 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.715 0.386 -0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.582 0.596 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.362 1.555 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.160 -0.034 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.404 -1.185 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.936 -1.258 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.373 -0.388 1.752 1.00 0.00 H new ATOM 987 N ALA A 77 -10.921 3.976 3.089 1.00 0.00 N ATOM 988 CA ALA A 77 -10.100 4.864 3.939 1.00 0.00 C ATOM 989 C ALA A 77 -10.622 4.965 5.374 1.00 0.00 C ATOM 990 O ALA A 77 -9.878 4.783 6.346 1.00 0.00 O ATOM 991 CB ALA A 77 -10.041 6.246 3.267 1.00 0.00 C ATOM 0 H ALA A 77 -11.280 4.427 2.248 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.100 4.440 4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.440 6.921 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.591 6.151 2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.050 6.647 3.170 1.00 0.00 H new ATOM 997 N THR A 78 -11.950 5.041 5.454 1.00 0.00 N ATOM 998 CA THR A 78 -12.793 5.028 6.664 1.00 0.00 C ATOM 999 C THR A 78 -12.575 3.733 7.460 1.00 0.00 C ATOM 1000 O THR A 78 -12.066 3.750 8.574 1.00 0.00 O ATOM 1001 CB THR A 78 -14.221 5.003 6.151 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.403 5.969 5.099 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.297 5.131 7.222 1.00 0.00 C ATOM 0 H THR A 78 -12.516 5.120 4.609 1.00 0.00 H new ATOM 0 HA THR A 78 -12.565 5.880 7.305 1.00 0.00 H new ATOM 0 HB THR A 78 -14.362 4.000 5.748 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.329 5.936 4.781 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.281 5.102 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.207 4.306 7.929 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.174 6.076 7.750 1.00 0.00 H new ATOM 1011 N GLN A 79 -12.941 2.629 6.798 1.00 0.00 N ATOM 1012 CA GLN A 79 -12.938 1.258 7.315 1.00 0.00 C ATOM 1013 C GLN A 79 -11.576 0.829 7.901 1.00 0.00 C ATOM 1014 O GLN A 79 -11.490 -0.041 8.760 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.287 0.359 6.122 1.00 0.00 C ATOM 1016 CG GLN A 79 -13.561 -1.125 6.392 1.00 0.00 C ATOM 1017 CD GLN A 79 -14.286 -1.712 5.180 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -15.447 -1.439 4.908 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -13.614 -2.503 4.365 1.00 0.00 N ATOM 0 H GLN A 79 -13.266 2.673 5.832 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.651 1.180 8.135 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.168 0.778 5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.467 0.422 5.406 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -12.626 -1.657 6.569 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -14.168 -1.241 7.290 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.645 -2.744 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.064 -2.873 3.528 1.00 0.00 H new ATOM 1028 N TYR A 80 -10.531 1.462 7.381 1.00 0.00 N ATOM 1029 CA TYR A 80 -9.129 1.192 7.761 1.00 0.00 C ATOM 1030 C TYR A 80 -8.473 2.278 8.627 1.00 0.00 C ATOM 1031 O TYR A 80 -7.254 2.254 8.842 1.00 0.00 O ATOM 1032 CB TYR A 80 -8.345 0.910 6.475 1.00 0.00 C ATOM 1033 CG TYR A 80 -8.823 -0.405 5.831 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -8.890 -1.574 6.618 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.473 -0.324 4.581 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -9.672 -2.664 6.175 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.252 -1.398 4.137 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.349 -2.547 4.947 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.017 -3.640 4.484 1.00 0.00 O ATOM 0 H TYR A 80 -10.624 2.190 6.672 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.116 0.322 8.418 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -8.476 1.734 5.774 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -7.280 0.847 6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.349 -1.635 7.550 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.370 0.561 3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.748 -3.566 6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.770 -1.347 3.191 1.00 0.00 H new ATOM 0 HH TYR A 80 -11.329 -4.178 5.241 1.00 0.00 H new ATOM 1049 N ASN A 81 -9.305 3.180 9.139 1.00 0.00 N ATOM 1050 CA ASN A 81 -8.925 4.277 10.067 1.00 0.00 C ATOM 1051 C ASN A 81 -7.608 4.974 9.682 1.00 0.00 C ATOM 1052 O ASN A 81 -6.654 5.122 10.454 1.00 0.00 O ATOM 1053 CB ASN A 81 -8.910 3.697 11.495 1.00 0.00 C ATOM 1054 CG ASN A 81 -9.107 4.810 12.531 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -8.027 5.305 13.087 1.00 0.00 O flip ATOM 1056 ND2 ASN A 81 -10.202 5.281 12.780 1.00 0.00 N flip ATOM 0 H ASN A 81 -10.301 3.180 8.921 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.663 5.077 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -9.699 2.952 11.599 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -7.964 3.187 11.676 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.037 4.890 12.343 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.284 6.067 13.425 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.591 5.412 8.427 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.406 6.100 7.866 1.00 0.00 C ATOM 1065 C ILE A 82 -6.481 7.574 8.249 1.00 0.00 C ATOM 1066 O ILE A 82 -7.494 8.249 8.146 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.142 5.779 6.376 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -6.984 6.567 5.380 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.246 4.276 6.106 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.393 7.960 5.142 1.00 0.00 C ATOM 0 H ILE A 82 -8.369 5.310 7.776 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.494 5.704 8.313 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.118 6.112 6.204 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.039 6.025 4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.004 6.660 5.754 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.056 4.082 5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.510 3.746 6.711 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.246 3.928 6.364 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.013 8.501 4.427 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.362 8.508 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.382 7.864 4.745 1.00 0.00 H new ATOM 1082 N ARG A 83 -5.435 7.884 8.995 1.00 0.00 N ATOM 1083 CA ARG A 83 -5.176 9.242 9.501 1.00 0.00 C ATOM 1084 C ARG A 83 -3.940 9.911 8.919 1.00 0.00 C ATOM 1085 O ARG A 83 -3.684 11.094 9.157 1.00 0.00 O ATOM 1086 CB ARG A 83 -5.024 9.147 11.008 1.00 0.00 C ATOM 1087 CG ARG A 83 -6.402 8.978 11.603 1.00 0.00 C ATOM 1088 CD ARG A 83 -6.235 9.146 13.093 1.00 0.00 C ATOM 1089 NE ARG A 83 -5.775 7.861 13.628 1.00 0.00 N ATOM 1090 CZ ARG A 83 -6.403 7.202 14.600 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -7.577 7.640 15.047 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -5.933 6.055 15.044 1.00 0.00 N ATOM 0 H ARG A 83 -4.729 7.203 9.275 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.017 9.865 9.196 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.387 8.304 11.275 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.546 10.044 11.401 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.094 9.719 11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.812 7.997 11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.514 9.934 13.312 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.178 9.439 13.555 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.929 7.450 13.235 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.995 8.479 14.645 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.059 7.136 15.791 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.081 5.664 14.643 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.421 5.558 15.789 1.00 0.00 H new ATOM 1106 N SER A 84 -3.161 9.091 8.244 1.00 0.00 N ATOM 1107 CA SER A 84 -1.910 9.516 7.609 1.00 0.00 C ATOM 1108 C SER A 84 -1.594 8.642 6.397 1.00 0.00 C ATOM 1109 O SER A 84 -1.730 7.416 6.410 1.00 0.00 O ATOM 1110 CB SER A 84 -0.744 9.463 8.599 1.00 0.00 C ATOM 1111 OG SER A 84 0.415 9.947 7.936 1.00 0.00 O ATOM 0 H SER A 84 -3.371 8.101 8.114 1.00 0.00 H new ATOM 0 HA SER A 84 -2.043 10.547 7.280 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.962 10.070 9.478 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.586 8.442 8.948 1.00 0.00 H new ATOM 0 HG SER A 84 1.177 9.925 8.551 1.00 0.00 H new ATOM 1117 N ILE A 85 -1.088 9.349 5.401 1.00 0.00 N ATOM 1118 CA ILE A 85 -0.705 8.814 4.081 1.00 0.00 C ATOM 1119 C ILE A 85 0.834 8.939 3.982 1.00 0.00 C ATOM 1120 O ILE A 85 1.349 9.989 4.375 1.00 0.00 O ATOM 1121 CB ILE A 85 -1.472 9.634 3.027 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -2.999 9.410 3.101 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -0.930 9.494 1.591 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -3.471 7.953 2.933 1.00 0.00 C ATOM 0 H ILE A 85 -0.921 10.352 5.481 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.959 7.766 3.924 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.285 10.673 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.355 9.779 4.063 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.474 10.017 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.529 10.104 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.107 9.828 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.985 8.450 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -4.558 7.912 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.155 7.578 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.034 7.336 3.718 1.00 0.00 H new ATOM 1136 N PRO A 86 1.522 7.924 3.441 1.00 0.00 N ATOM 1137 CA PRO A 86 0.971 6.654 2.937 1.00 0.00 C ATOM 1138 C PRO A 86 0.617 5.674 4.057 1.00 0.00 C ATOM 1139 O PRO A 86 1.261 5.638 5.099 1.00 0.00 O ATOM 1140 CB PRO A 86 2.021 6.073 1.988 1.00 0.00 C ATOM 1141 CG PRO A 86 3.309 6.861 2.241 1.00 0.00 C ATOM 1142 CD PRO A 86 2.985 7.974 3.235 1.00 0.00 C ATOM 0 HA PRO A 86 0.028 6.834 2.421 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.171 5.010 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.703 6.170 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.085 6.207 2.639 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.691 7.279 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 86 3.517 7.825 4.175 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.291 8.945 2.847 1.00 0.00 H new ATOM 1150 N THR A 87 -0.555 5.070 3.911 1.00 0.00 N ATOM 1151 CA THR A 87 -0.981 4.002 4.833 1.00 0.00 C ATOM 1152 C THR A 87 -0.739 2.670 4.147 1.00 0.00 C ATOM 1153 O THR A 87 -1.218 2.427 3.039 1.00 0.00 O ATOM 1154 CB THR A 87 -2.468 4.081 5.186 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.923 5.439 5.152 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.730 3.425 6.542 1.00 0.00 C ATOM 0 H THR A 87 -1.227 5.291 3.176 1.00 0.00 H new ATOM 0 HA THR A 87 -0.411 4.112 5.756 1.00 0.00 H new ATOM 0 HB THR A 87 -3.038 3.529 4.439 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.523 5.937 5.895 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.792 3.490 6.778 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.430 2.378 6.504 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.155 3.939 7.312 1.00 0.00 H new ATOM 1164 N VAL A 88 0.120 1.892 4.788 1.00 0.00 N ATOM 1165 CA VAL A 88 0.484 0.548 4.300 1.00 0.00 C ATOM 1166 C VAL A 88 -0.115 -0.542 5.211 1.00 0.00 C ATOM 1167 O VAL A 88 0.028 -0.509 6.432 1.00 0.00 O ATOM 1168 CB VAL A 88 2.009 0.450 4.100 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.805 0.478 5.412 1.00 0.00 C ATOM 1170 CG2 VAL A 88 2.378 -0.779 3.273 1.00 0.00 C ATOM 0 H VAL A 88 0.587 2.161 5.654 1.00 0.00 H new ATOM 0 HA VAL A 88 0.045 0.374 3.318 1.00 0.00 H new ATOM 0 HB VAL A 88 2.293 1.347 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.870 0.405 5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.606 1.411 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.505 -0.363 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.460 -0.822 3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.036 -1.678 3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.902 -0.715 2.294 1.00 0.00 H new ATOM 1180 N LEU A 89 -0.984 -1.343 4.599 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.671 -2.450 5.286 1.00 0.00 C ATOM 1182 C LEU A 89 -1.260 -3.801 4.679 1.00 0.00 C ATOM 1183 O LEU A 89 -0.932 -3.887 3.499 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.199 -2.330 5.205 1.00 0.00 C ATOM 1185 CG LEU A 89 -3.824 -1.141 5.948 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.670 0.177 5.197 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.315 -1.426 6.105 1.00 0.00 C ATOM 0 H LEU A 89 -1.236 -1.249 3.615 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.371 -2.394 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.483 -2.265 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.636 -3.248 5.598 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.311 -1.035 6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.132 0.980 5.772 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.611 0.394 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.157 0.101 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.790 -0.598 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.769 -1.540 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.452 -2.344 6.676 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.340 -4.821 5.521 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.933 -6.192 5.183 1.00 0.00 C ATOM 1201 C PHE A 90 -2.085 -7.125 5.574 1.00 0.00 C ATOM 1202 O PHE A 90 -2.570 -7.104 6.695 1.00 0.00 O ATOM 1203 CB PHE A 90 0.319 -6.624 5.948 1.00 0.00 C ATOM 1204 CG PHE A 90 1.449 -5.603 5.947 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.356 -5.570 4.858 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.426 -4.563 6.901 1.00 0.00 C ATOM 1207 CE1 PHE A 90 3.219 -4.465 4.730 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.281 -3.452 6.753 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.169 -3.409 5.669 1.00 0.00 C ATOM 0 H PHE A 90 -1.693 -4.726 6.473 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.706 -6.237 4.118 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.042 -6.838 6.980 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.688 -7.555 5.518 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.384 -6.377 4.141 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.753 -4.618 7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 90 3.922 -4.424 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.252 -2.642 7.467 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.823 -2.558 5.550 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.523 -7.837 4.559 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.677 -8.755 4.610 1.00 0.00 C ATOM 1221 C PHE A 91 -3.337 -10.185 4.244 1.00 0.00 C ATOM 1222 O PHE A 91 -2.378 -10.444 3.520 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.751 -8.315 3.601 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.297 -6.925 3.874 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.643 -5.808 3.297 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.528 -6.793 4.553 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.244 -4.537 3.400 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.128 -5.517 4.648 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.475 -4.406 4.079 1.00 0.00 C ATOM 0 H PHE A 91 -2.083 -7.803 3.639 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.019 -8.715 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.329 -8.341 2.597 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -5.573 -9.031 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.699 -5.929 2.786 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.005 -7.656 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.767 -3.672 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.076 -5.395 5.151 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.928 -3.429 4.164 1.00 0.00 H new ATOM 1239 N LYS A 92 -4.045 -11.062 4.928 1.00 0.00 N ATOM 1240 CA LYS A 92 -4.065 -12.484 4.571 1.00 0.00 C ATOM 1241 C LYS A 92 -5.356 -12.802 3.795 1.00 0.00 C ATOM 1242 O LYS A 92 -5.646 -12.147 2.795 1.00 0.00 O ATOM 1243 CB LYS A 92 -3.740 -13.411 5.759 1.00 0.00 C ATOM 1244 CG LYS A 92 -4.562 -13.157 7.026 1.00 0.00 C ATOM 1245 CD LYS A 92 -4.148 -14.141 8.115 1.00 0.00 C ATOM 1246 CE LYS A 92 -4.886 -13.925 9.433 1.00 0.00 C ATOM 1247 NZ LYS A 92 -4.538 -12.617 10.020 1.00 0.00 N ATOM 0 H LYS A 92 -4.618 -10.823 5.737 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.243 -12.701 3.888 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.893 -14.444 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.683 -13.306 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.410 -12.134 7.370 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -5.625 -13.266 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.331 -15.157 7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.075 -14.052 8.288 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.962 -13.979 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.632 -14.722 10.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.956 -12.540 10.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -3.504 -12.532 10.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.909 -11.856 9.416 1.00 0.00 H new ATOM 1261 N ASN A 93 -6.296 -13.451 4.475 1.00 0.00 N ATOM 1262 CA ASN A 93 -7.556 -13.918 3.856 1.00 0.00 C ATOM 1263 C ASN A 93 -8.643 -12.856 4.099 1.00 0.00 C ATOM 1264 O ASN A 93 -9.532 -13.006 4.943 1.00 0.00 O ATOM 1265 CB ASN A 93 -7.868 -15.277 4.480 1.00 0.00 C ATOM 1266 CG ASN A 93 -8.960 -16.001 3.692 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -8.742 -16.518 2.609 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -10.188 -15.866 4.129 1.00 0.00 N ATOM 0 H ASN A 93 -6.217 -13.673 5.467 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.491 -14.045 2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.965 -15.887 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.188 -15.142 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.970 -16.194 3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.362 -15.433 5.036 1.00 0.00 H new ATOM 1275 N GLY A 94 -8.434 -11.740 3.416 1.00 0.00 N ATOM 1276 CA GLY A 94 -9.210 -10.497 3.587 1.00 0.00 C ATOM 1277 C GLY A 94 -9.101 -9.908 5.001 1.00 0.00 C ATOM 1278 O GLY A 94 -9.852 -9.011 5.362 1.00 0.00 O ATOM 0 H GLY A 94 -7.705 -11.661 2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.864 -9.758 2.864 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.258 -10.696 3.363 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.982 -10.213 5.661 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.813 -9.914 7.090 1.00 0.00 C ATOM 1284 C GLU A 95 -6.493 -9.205 7.332 1.00 0.00 C ATOM 1285 O GLU A 95 -5.433 -9.745 7.016 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.812 -11.214 7.907 1.00 0.00 C ATOM 1287 CG GLU A 95 -9.160 -11.929 7.882 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.970 -13.347 8.405 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -9.339 -13.572 9.582 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -8.433 -14.175 7.629 1.00 0.00 O ATOM 0 H GLU A 95 -7.177 -10.668 5.231 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.641 -9.275 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.044 -11.882 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.544 -10.989 8.939 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.883 -11.393 8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.558 -11.951 6.867 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.602 -8.032 7.941 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.410 -7.236 8.251 1.00 0.00 C ATOM 1300 C ARG A 96 -4.678 -7.818 9.460 1.00 0.00 C ATOM 1301 O ARG A 96 -5.257 -8.261 10.447 1.00 0.00 O ATOM 1302 CB ARG A 96 -5.610 -5.746 8.567 1.00 0.00 C ATOM 1303 CG ARG A 96 -6.974 -5.156 8.219 1.00 0.00 C ATOM 1304 CD ARG A 96 -7.350 -4.143 9.301 1.00 0.00 C ATOM 1305 NE ARG A 96 -6.554 -2.910 9.247 1.00 0.00 N ATOM 1306 CZ ARG A 96 -7.003 -1.706 9.611 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -8.104 -1.563 10.339 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -6.223 -0.636 9.468 1.00 0.00 N ATOM 0 H ARG A 96 -7.486 -7.611 8.228 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.856 -7.291 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.435 -5.596 9.632 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.846 -5.178 8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.941 -4.673 7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.725 -5.944 8.160 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.405 -3.890 9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.225 -4.605 10.280 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.594 -2.978 8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.630 -2.385 10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.424 -0.631 10.603 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.285 -0.737 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -6.564 0.284 9.745 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.427 -8.046 9.121 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.382 -8.627 9.984 1.00 0.00 C ATOM 1324 C LYS A 97 -1.640 -7.499 10.716 1.00 0.00 C ATOM 1325 O LYS A 97 -1.410 -7.557 11.922 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.404 -9.389 9.097 1.00 0.00 C ATOM 1327 CG LYS A 97 -2.174 -10.422 8.280 1.00 0.00 C ATOM 1328 CD LYS A 97 -1.243 -11.342 7.517 1.00 0.00 C ATOM 1329 CE LYS A 97 -0.651 -10.709 6.259 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.007 -11.769 5.479 1.00 0.00 N ATOM 0 H LYS A 97 -3.078 -7.824 8.189 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.826 -9.297 10.720 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.881 -8.699 8.435 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.647 -9.881 9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.806 -11.013 8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.836 -9.912 7.580 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.431 -11.650 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.786 -12.245 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.432 -10.225 5.672 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.072 -9.938 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.110 -11.565 4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.003 -11.814 5.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.457 -12.681 5.696 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.333 -6.465 9.943 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.550 -5.303 10.382 1.00 0.00 C ATOM 1346 C GLU A 98 -0.890 -4.095 9.491 1.00 0.00 C ATOM 1347 O GLU A 98 -1.442 -4.244 8.389 1.00 0.00 O ATOM 1348 CB GLU A 98 0.936 -5.711 10.298 1.00 0.00 C ATOM 1349 CG GLU A 98 1.917 -4.713 10.941 1.00 0.00 C ATOM 1350 CD GLU A 98 1.639 -4.454 12.427 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.918 -5.353 13.245 1.00 0.00 O ATOM 1352 OE2 GLU A 98 1.106 -3.358 12.686 1.00 0.00 O ATOM 0 H GLU A 98 -1.626 -6.404 8.968 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.779 -5.006 11.405 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.060 -6.681 10.779 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.205 -5.838 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.933 -5.092 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.868 -3.768 10.400 1.00 0.00 H new ATOM 1360 N SER A 99 -0.802 -2.918 10.101 1.00 0.00 N ATOM 1361 CA SER A 99 -1.098 -1.631 9.436 1.00 0.00 C ATOM 1362 C SER A 99 -0.245 -0.508 10.031 1.00 0.00 C ATOM 1363 O SER A 99 -0.110 -0.413 11.253 1.00 0.00 O ATOM 1364 CB SER A 99 -2.577 -1.254 9.607 1.00 0.00 C ATOM 1365 OG SER A 99 -3.379 -2.295 9.052 1.00 0.00 O ATOM 0 H SER A 99 -0.522 -2.817 11.077 1.00 0.00 H new ATOM 0 HA SER A 99 -0.869 -1.752 8.377 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.813 -1.117 10.662 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.786 -0.308 9.108 1.00 0.00 H new ATOM 0 HG SER A 99 -2.800 -2.975 8.649 1.00 0.00 H new ATOM 1371 N ILE A 100 0.383 0.252 9.144 1.00 0.00 N ATOM 1372 CA ILE A 100 1.218 1.414 9.504 1.00 0.00 C ATOM 1373 C ILE A 100 0.665 2.645 8.780 1.00 0.00 C ATOM 1374 O ILE A 100 0.682 2.748 7.545 1.00 0.00 O ATOM 1375 CB ILE A 100 2.708 1.176 9.172 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.340 0.055 10.014 1.00 0.00 C ATOM 1377 CG2 ILE A 100 3.563 2.431 9.345 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.082 -1.329 9.411 1.00 0.00 C ATOM 0 H ILE A 100 0.333 0.085 8.139 1.00 0.00 H new ATOM 0 HA ILE A 100 1.175 1.573 10.581 1.00 0.00 H new ATOM 0 HB ILE A 100 2.701 0.881 8.123 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.414 0.222 10.092 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.937 0.091 11.026 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.600 2.202 9.098 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.196 3.215 8.683 1.00 0.00 H new ATOM 0 HG23 ILE A 100 3.504 2.772 10.379 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.546 -2.091 10.037 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.008 -1.508 9.357 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.508 -1.374 8.409 1.00 0.00 H new ATOM 1390 N ILE A 101 0.239 3.590 9.608 1.00 0.00 N ATOM 1391 CA ILE A 101 -0.320 4.887 9.168 1.00 0.00 C ATOM 1392 C ILE A 101 0.807 5.938 9.232 1.00 0.00 C ATOM 1393 O ILE A 101 1.159 6.441 10.292 1.00 0.00 O ATOM 1394 CB ILE A 101 -1.485 5.329 10.074 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -2.183 4.203 10.853 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -2.526 5.952 9.143 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -2.710 4.700 12.201 1.00 0.00 C ATOM 0 H ILE A 101 0.267 3.487 10.622 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.706 4.787 8.153 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.071 5.998 10.828 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.009 3.807 10.262 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.484 3.382 11.014 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -3.383 6.288 9.728 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -2.086 6.803 8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.853 5.210 8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.198 3.879 12.726 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.880 5.072 12.801 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -3.428 5.503 12.037 1.00 0.00 H new ATOM 1409 N GLY A 102 1.404 6.169 8.070 1.00 0.00 N ATOM 1410 CA GLY A 102 2.565 7.064 7.902 1.00 0.00 C ATOM 1411 C GLY A 102 3.801 6.212 7.571 1.00 0.00 C ATOM 1412 O GLY A 102 4.783 6.139 8.316 1.00 0.00 O ATOM 0 H GLY A 102 1.098 5.738 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.376 7.782 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.735 7.638 8.813 1.00 0.00 H new ATOM 1416 N ALA A 103 3.730 5.644 6.382 1.00 0.00 N ATOM 1417 CA ALA A 103 4.677 4.654 5.836 1.00 0.00 C ATOM 1418 C ALA A 103 5.945 5.279 5.229 1.00 0.00 C ATOM 1419 O ALA A 103 6.169 5.321 4.027 1.00 0.00 O ATOM 1420 CB ALA A 103 3.891 3.817 4.820 1.00 0.00 C ATOM 0 H ALA A 103 2.978 5.862 5.728 1.00 0.00 H new ATOM 0 HA ALA A 103 5.065 4.031 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.547 3.065 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.058 3.324 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.508 4.466 4.032 1.00 0.00 H new ATOM 1426 N VAL A 104 6.764 5.776 6.146 1.00 0.00 N ATOM 1427 CA VAL A 104 8.066 6.416 5.819 1.00 0.00 C ATOM 1428 C VAL A 104 9.294 5.561 6.199 1.00 0.00 C ATOM 1429 O VAL A 104 10.199 5.465 5.359 1.00 0.00 O ATOM 1430 CB VAL A 104 8.093 7.877 6.328 1.00 0.00 C ATOM 1431 CG1 VAL A 104 9.459 8.561 6.218 1.00 0.00 C ATOM 1432 CG2 VAL A 104 7.054 8.733 5.585 1.00 0.00 C ATOM 0 H VAL A 104 6.559 5.755 7.145 1.00 0.00 H new ATOM 0 HA VAL A 104 8.151 6.471 4.734 1.00 0.00 H new ATOM 0 HB VAL A 104 7.854 7.806 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.387 9.581 6.597 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.192 8.007 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.772 8.583 5.174 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.091 9.756 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 104 7.275 8.729 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.058 8.322 5.751 1.00 0.00 H new ATOM 1442 N PRO A 105 9.398 4.944 7.399 1.00 0.00 N ATOM 1443 CA PRO A 105 10.561 4.107 7.740 1.00 0.00 C ATOM 1444 C PRO A 105 10.445 2.729 7.065 1.00 0.00 C ATOM 1445 O PRO A 105 9.727 1.829 7.512 1.00 0.00 O ATOM 1446 CB PRO A 105 10.611 4.065 9.261 1.00 0.00 C ATOM 1447 CG PRO A 105 9.161 4.254 9.683 1.00 0.00 C ATOM 1448 CD PRO A 105 8.551 5.138 8.593 1.00 0.00 C ATOM 0 HA PRO A 105 11.503 4.509 7.368 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.011 3.117 9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.249 4.853 9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.642 3.298 9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.092 4.728 10.662 1.00 0.00 H new ATOM 0 HD2 PRO A 105 7.518 4.853 8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.539 6.184 8.899 1.00 0.00 H new ATOM 1456 N LYS A 106 11.171 2.639 5.963 1.00 0.00 N ATOM 1457 CA LYS A 106 11.242 1.464 5.070 1.00 0.00 C ATOM 1458 C LYS A 106 11.409 0.122 5.812 1.00 0.00 C ATOM 1459 O LYS A 106 10.552 -0.747 5.721 1.00 0.00 O ATOM 1460 CB LYS A 106 12.385 1.767 4.087 1.00 0.00 C ATOM 1461 CG LYS A 106 12.467 0.860 2.853 1.00 0.00 C ATOM 1462 CD LYS A 106 13.207 -0.447 3.133 1.00 0.00 C ATOM 1463 CE LYS A 106 13.570 -1.143 1.832 1.00 0.00 C ATOM 1464 NZ LYS A 106 14.368 -2.325 2.202 1.00 0.00 N ATOM 0 H LYS A 106 11.757 3.409 5.641 1.00 0.00 H new ATOM 0 HA LYS A 106 10.297 1.320 4.546 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.284 2.798 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.330 1.699 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.459 0.635 2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.971 1.393 2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 106 14.111 -0.244 3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.583 -1.102 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.674 -1.435 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 106 14.139 -0.479 1.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.184 -3.094 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 15.379 -2.081 2.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.105 -2.635 3.159 1.00 0.00 H new ATOM 1478 N SER A 107 12.373 0.102 6.729 1.00 0.00 N ATOM 1479 CA SER A 107 12.710 -1.088 7.537 1.00 0.00 C ATOM 1480 C SER A 107 11.570 -1.575 8.444 1.00 0.00 C ATOM 1481 O SER A 107 11.352 -2.781 8.558 1.00 0.00 O ATOM 1482 CB SER A 107 13.950 -0.789 8.381 1.00 0.00 C ATOM 1483 OG SER A 107 13.794 0.495 8.996 1.00 0.00 O ATOM 0 H SER A 107 12.953 0.914 6.941 1.00 0.00 H new ATOM 0 HA SER A 107 12.899 -1.898 6.832 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.082 -1.558 9.142 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.843 -0.802 7.756 1.00 0.00 H new ATOM 0 HG SER A 107 14.584 0.695 9.541 1.00 0.00 H new ATOM 1489 N THR A 108 10.821 -0.645 9.012 1.00 0.00 N ATOM 1490 CA THR A 108 9.615 -0.936 9.824 1.00 0.00 C ATOM 1491 C THR A 108 8.505 -1.605 9.010 1.00 0.00 C ATOM 1492 O THR A 108 7.799 -2.493 9.476 1.00 0.00 O ATOM 1493 CB THR A 108 9.125 0.385 10.432 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.206 0.938 11.198 1.00 0.00 O ATOM 1495 CG2 THR A 108 7.837 0.273 11.254 1.00 0.00 C ATOM 0 H THR A 108 11.022 0.352 8.931 1.00 0.00 H new ATOM 0 HA THR A 108 9.880 -1.646 10.607 1.00 0.00 H new ATOM 0 HB THR A 108 8.844 1.050 9.615 1.00 0.00 H new ATOM 0 HG1 THR A 108 9.923 1.786 11.599 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.568 1.255 11.644 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.032 -0.099 10.620 1.00 0.00 H new ATOM 0 HG23 THR A 108 7.994 -0.416 12.084 1.00 0.00 H new ATOM 1503 N LEU A 109 8.409 -1.159 7.766 1.00 0.00 N ATOM 1504 CA LEU A 109 7.445 -1.700 6.791 1.00 0.00 C ATOM 1505 C LEU A 109 7.865 -3.115 6.380 1.00 0.00 C ATOM 1506 O LEU A 109 7.049 -4.027 6.463 1.00 0.00 O ATOM 1507 CB LEU A 109 7.268 -0.834 5.538 1.00 0.00 C ATOM 1508 CG LEU A 109 7.042 0.663 5.787 1.00 0.00 C ATOM 1509 CD1 LEU A 109 6.378 1.238 4.531 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.150 1.010 6.989 1.00 0.00 C ATOM 0 H LEU A 109 8.994 -0.411 7.394 1.00 0.00 H new ATOM 0 HA LEU A 109 6.479 -1.710 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.153 -0.949 4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 109 6.422 -1.220 4.969 1.00 0.00 H new ATOM 0 HG LEU A 109 8.021 1.086 6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.200 2.304 4.669 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.032 1.087 3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.429 0.732 4.357 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.057 2.093 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.162 0.571 6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.597 0.613 7.900 1.00 0.00 H new ATOM 1522 N THR A 110 9.183 -3.317 6.247 1.00 0.00 N ATOM 1523 CA THR A 110 9.781 -4.627 5.945 1.00 0.00 C ATOM 1524 C THR A 110 9.510 -5.605 7.094 1.00 0.00 C ATOM 1525 O THR A 110 8.982 -6.699 6.930 1.00 0.00 O ATOM 1526 CB THR A 110 11.282 -4.492 5.709 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.565 -3.440 4.781 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.829 -5.833 5.233 1.00 0.00 C ATOM 0 H THR A 110 9.871 -2.570 6.347 1.00 0.00 H new ATOM 0 HA THR A 110 9.325 -5.015 5.034 1.00 0.00 H new ATOM 0 HB THR A 110 11.777 -4.222 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.363 -2.575 5.195 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.902 -5.748 5.061 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.642 -6.592 5.992 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.334 -6.119 4.305 1.00 0.00 H new ATOM 1536 N ASP A 111 9.874 -5.119 8.272 1.00 0.00 N ATOM 1537 CA ASP A 111 9.620 -5.756 9.581 1.00 0.00 C ATOM 1538 C ASP A 111 8.160 -6.242 9.676 1.00 0.00 C ATOM 1539 O ASP A 111 7.913 -7.412 9.951 1.00 0.00 O ATOM 1540 CB ASP A 111 9.910 -4.678 10.621 1.00 0.00 C ATOM 1541 CG ASP A 111 10.019 -5.226 12.039 1.00 0.00 C ATOM 1542 OD1 ASP A 111 8.975 -5.236 12.725 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.150 -5.603 12.410 1.00 0.00 O ATOM 0 H ASP A 111 10.375 -4.235 8.359 1.00 0.00 H new ATOM 0 HA ASP A 111 10.246 -6.635 9.733 1.00 0.00 H new ATOM 0 HB2 ASP A 111 10.840 -4.172 10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.120 -3.928 10.588 1.00 0.00 H new ATOM 1549 N SER A 112 7.251 -5.368 9.232 1.00 0.00 N ATOM 1550 CA SER A 112 5.800 -5.604 9.209 1.00 0.00 C ATOM 1551 C SER A 112 5.239 -6.703 8.294 1.00 0.00 C ATOM 1552 O SER A 112 4.037 -6.949 8.314 1.00 0.00 O ATOM 1553 CB SER A 112 5.056 -4.299 8.975 1.00 0.00 C ATOM 1554 OG SER A 112 5.284 -3.427 10.087 1.00 0.00 O ATOM 0 H SER A 112 7.509 -4.451 8.868 1.00 0.00 H new ATOM 0 HA SER A 112 5.621 -6.015 10.203 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.399 -3.830 8.053 1.00 0.00 H new ATOM 0 HB3 SER A 112 3.989 -4.489 8.858 1.00 0.00 H new ATOM 0 HG SER A 112 6.187 -3.050 10.028 1.00 0.00 H new ATOM 1560 N ILE A 113 6.075 -7.181 7.371 1.00 0.00 N ATOM 1561 CA ILE A 113 5.771 -8.434 6.646 1.00 0.00 C ATOM 1562 C ILE A 113 6.541 -9.628 7.241 1.00 0.00 C ATOM 1563 O ILE A 113 5.966 -10.661 7.580 1.00 0.00 O ATOM 1564 CB ILE A 113 6.054 -8.576 5.149 1.00 0.00 C ATOM 1565 CG1 ILE A 113 7.204 -7.729 4.622 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.776 -8.562 4.328 1.00 0.00 C ATOM 1567 CD1 ILE A 113 6.836 -6.263 4.459 1.00 0.00 C ATOM 0 H ILE A 113 6.954 -6.736 7.105 1.00 0.00 H new ATOM 0 HA ILE A 113 4.688 -8.409 6.770 1.00 0.00 H new ATOM 0 HB ILE A 113 6.465 -9.576 5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.051 -7.812 5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.529 -8.125 3.660 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.021 -8.665 3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.137 -9.390 4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.251 -7.620 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.697 -5.712 4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.008 -6.172 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.539 -5.853 5.424 1.00 0.00 H new ATOM 1579 N GLU A 114 7.826 -9.348 7.432 1.00 0.00 N ATOM 1580 CA GLU A 114 8.846 -10.311 7.888 1.00 0.00 C ATOM 1581 C GLU A 114 8.784 -10.710 9.375 1.00 0.00 C ATOM 1582 O GLU A 114 9.731 -11.132 10.024 1.00 0.00 O ATOM 1583 CB GLU A 114 10.232 -9.850 7.481 1.00 0.00 C ATOM 1584 CG GLU A 114 10.274 -9.824 5.956 1.00 0.00 C ATOM 1585 CD GLU A 114 11.717 -9.956 5.474 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.005 -11.004 4.845 1.00 0.00 O ATOM 1587 OE2 GLU A 114 12.472 -8.982 5.635 1.00 0.00 O ATOM 0 H GLU A 114 8.208 -8.416 7.271 1.00 0.00 H new ATOM 0 HA GLU A 114 8.603 -11.240 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 114 10.442 -8.861 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.992 -10.525 7.875 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.671 -10.638 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.842 -8.894 5.587 1.00 0.00 H new ATOM 1595 N LYS A 115 7.608 -10.397 9.874 1.00 0.00 N ATOM 1596 CA LYS A 115 7.028 -10.733 11.172 1.00 0.00 C ATOM 1597 C LYS A 115 6.388 -12.129 11.090 1.00 0.00 C ATOM 1598 O LYS A 115 6.575 -12.973 11.958 1.00 0.00 O ATOM 1599 CB LYS A 115 5.991 -9.617 11.264 1.00 0.00 C ATOM 1600 CG LYS A 115 5.236 -9.610 12.595 1.00 0.00 C ATOM 1601 CD LYS A 115 4.054 -8.635 12.536 1.00 0.00 C ATOM 1602 CE LYS A 115 4.478 -7.173 12.471 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.193 -6.836 13.707 1.00 0.00 N ATOM 0 H LYS A 115 6.956 -9.838 9.324 1.00 0.00 H new ATOM 0 HA LYS A 115 7.704 -10.785 12.025 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.487 -8.656 11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.276 -9.724 10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.876 -10.614 12.821 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.911 -9.324 13.402 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.444 -8.868 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.425 -8.785 13.414 1.00 0.00 H new ATOM 0 HE2 LYS A 115 5.119 -7.003 11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.605 -6.531 12.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.206 -5.803 13.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.711 -7.275 14.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.169 -7.190 13.651 1.00 0.00 H new ATOM 1617 N TYR A 116 5.655 -12.339 9.988 1.00 0.00 N ATOM 1618 CA TYR A 116 4.930 -13.570 9.650 1.00 0.00 C ATOM 1619 C TYR A 116 5.543 -14.329 8.465 1.00 0.00 C ATOM 1620 O TYR A 116 5.807 -15.522 8.565 1.00 0.00 O ATOM 1621 CB TYR A 116 3.430 -13.283 9.451 1.00 0.00 C ATOM 1622 CG TYR A 116 3.120 -11.988 8.683 1.00 0.00 C ATOM 1623 CD1 TYR A 116 3.073 -12.010 7.276 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.891 -10.814 9.427 1.00 0.00 C ATOM 1625 CE1 TYR A 116 2.837 -10.803 6.589 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.640 -9.609 8.749 1.00 0.00 C ATOM 1627 CZ TYR A 116 2.638 -9.629 7.346 1.00 0.00 C ATOM 1628 OH TYR A 116 2.511 -8.462 6.675 1.00 0.00 O ATOM 0 H TYR A 116 5.547 -11.619 9.273 1.00 0.00 H new ATOM 0 HA TYR A 116 5.032 -14.243 10.501 1.00 0.00 H new ATOM 0 HB2 TYR A 116 2.981 -14.121 8.918 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.951 -13.233 10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 116 3.215 -12.934 6.734 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.908 -10.840 10.507 1.00 0.00 H new ATOM 0 HE1 TYR A 116 2.809 -10.777 5.510 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.454 -8.694 9.292 1.00 0.00 H new ATOM 0 HH TYR A 116 2.841 -7.727 7.233 1.00 0.00 H new ATOM 1638 N LEU A 117 5.790 -13.633 7.355 1.00 0.00 N ATOM 1639 CA LEU A 117 6.503 -14.216 6.199 1.00 0.00 C ATOM 1640 C LEU A 117 7.965 -13.763 6.213 1.00 0.00 C ATOM 1641 O LEU A 117 8.356 -12.678 5.790 1.00 0.00 O ATOM 1642 CB LEU A 117 5.779 -14.038 4.853 1.00 0.00 C ATOM 1643 CG LEU A 117 5.401 -12.604 4.470 1.00 0.00 C ATOM 1644 CD1 LEU A 117 6.493 -11.935 3.635 1.00 0.00 C ATOM 1645 CD2 LEU A 117 4.126 -12.634 3.635 1.00 0.00 C ATOM 0 H LEU A 117 5.509 -12.661 7.224 1.00 0.00 H new ATOM 0 HA LEU A 117 6.500 -15.300 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.414 -14.446 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.869 -14.638 4.872 1.00 0.00 H new ATOM 0 HG LEU A 117 5.265 -12.038 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 117 6.188 -10.919 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 117 7.420 -11.904 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 117 6.651 -12.504 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.849 -11.617 3.357 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.295 -13.223 2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 117 3.321 -13.084 4.216 1.00 0.00 H new