USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 777 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 21 THR OG1 : rot 136:sc= 0.493 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.509 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 6 SER OG : rot 22:sc= 0.814 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0566 K(o=-0.057,f=-2!) USER MOD Single : A 14 ASN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.273 X(o=-0.27,f=-0.42) USER MOD Single : A 18 THR OG1 : rot -36:sc= 0.412 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 25 THR OG1 : rot 18:sc= -0.147 USER MOD Single : A 38 ASN : amide:sc= -0.0663 K(o=-0.066,f=-2.3!) USER MOD Single : A 43 SER OG : rot -3:sc= 0.858 USER MOD Single : A 44 TYR OH : rot 90:sc= -0.576 USER MOD Single : A 45 THR OG1 : rot 151:sc= 0.665 USER MOD Single : A 52 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.13) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.03 K(o=-1,f=-0.29) USER MOD Single : A 58 GLN : amide:sc= -0.338 K(o=-0.34,f=-3.9!) USER MOD Single : A 59 ASN : amide:sc= -2.71 K(o=-2.7,f=-4.1) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -100:sc= -0.982 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 120:sc= 0.974 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 124:sc= -1.79 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00404 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -99:sc= -0.484 USER MOD Single : A 93 SER OG : rot 75:sc= -3.25! USER MOD Single : A 95 SER OG : rot 170:sc= 1.24 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -140:sc= -0.127 USER MOD Single : A 100 THR OG1 : rot -124:sc= -0.329 USER MOD Single : A 101 MET CE :methyl 161:sc= -1.29 (180deg=-3.04!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.763 -16.398 -14.971 1.00 0.00 N ATOM 2 CA GLY A 1 5.601 -17.055 -13.687 1.00 0.00 C ATOM 3 C GLY A 1 6.905 -17.162 -12.921 1.00 0.00 C ATOM 4 O GLY A 1 7.577 -18.192 -12.967 1.00 0.00 O ATOM 0 H1 GLY A 1 4.844 -16.350 -15.455 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.128 -15.435 -14.825 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.434 -16.937 -15.555 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.876 -16.503 -13.089 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.192 -18.053 -13.842 1.00 0.00 H new ATOM 8 N SER A 2 7.266 -16.093 -12.218 1.00 0.00 N ATOM 9 CA SER A 2 8.501 -16.069 -11.444 1.00 0.00 C ATOM 10 C SER A 2 8.345 -15.203 -10.198 1.00 0.00 C ATOM 11 O SER A 2 7.536 -14.275 -10.170 1.00 0.00 O ATOM 12 CB SER A 2 9.655 -15.546 -12.301 1.00 0.00 C ATOM 13 OG SER A 2 9.387 -14.236 -12.772 1.00 0.00 O ATOM 0 H SER A 2 6.721 -15.232 -12.169 1.00 0.00 H new ATOM 0 HA SER A 2 8.724 -17.089 -11.131 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.575 -15.545 -11.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.816 -16.214 -13.147 1.00 0.00 H new ATOM 0 HG SER A 2 10.140 -13.923 -13.316 1.00 0.00 H new ATOM 19 N SER A 3 9.125 -15.513 -9.167 1.00 0.00 N ATOM 20 CA SER A 3 9.072 -14.766 -7.916 1.00 0.00 C ATOM 21 C SER A 3 7.652 -14.743 -7.357 1.00 0.00 C ATOM 22 O SER A 3 7.184 -13.718 -6.863 1.00 0.00 O ATOM 23 CB SER A 3 9.571 -13.336 -8.129 1.00 0.00 C ATOM 24 OG SER A 3 10.086 -12.791 -6.927 1.00 0.00 O ATOM 0 H SER A 3 9.801 -16.277 -9.174 1.00 0.00 H new ATOM 0 HA SER A 3 9.720 -15.266 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.345 -13.328 -8.896 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.754 -12.713 -8.494 1.00 0.00 H new ATOM 0 HG SER A 3 10.400 -11.877 -7.090 1.00 0.00 H new ATOM 30 N GLY A 4 6.971 -15.882 -7.440 1.00 0.00 N ATOM 31 CA GLY A 4 5.612 -15.972 -6.939 1.00 0.00 C ATOM 32 C GLY A 4 4.919 -17.250 -7.370 1.00 0.00 C ATOM 33 O GLY A 4 4.125 -17.247 -8.310 1.00 0.00 O ATOM 0 H GLY A 4 7.336 -16.744 -7.845 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.625 -15.919 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.040 -15.115 -7.293 1.00 0.00 H new ATOM 37 N SER A 5 5.222 -18.346 -6.682 1.00 0.00 N ATOM 38 CA SER A 5 4.626 -19.638 -7.002 1.00 0.00 C ATOM 39 C SER A 5 3.108 -19.527 -7.102 1.00 0.00 C ATOM 40 O SER A 5 2.497 -20.046 -8.037 1.00 0.00 O ATOM 41 CB SER A 5 5.004 -20.674 -5.941 1.00 0.00 C ATOM 42 OG SER A 5 4.511 -20.301 -4.666 1.00 0.00 O ATOM 0 H SER A 5 5.876 -18.365 -5.900 1.00 0.00 H new ATOM 0 HA SER A 5 5.013 -19.959 -7.969 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.601 -21.648 -6.219 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.088 -20.777 -5.899 1.00 0.00 H new ATOM 0 HG SER A 5 4.764 -20.980 -4.006 1.00 0.00 H new ATOM 48 N SER A 6 2.505 -18.846 -6.133 1.00 0.00 N ATOM 49 CA SER A 6 1.058 -18.669 -6.109 1.00 0.00 C ATOM 50 C SER A 6 0.672 -17.470 -5.249 1.00 0.00 C ATOM 51 O SER A 6 1.523 -16.843 -4.620 1.00 0.00 O ATOM 52 CB SER A 6 0.377 -19.932 -5.578 1.00 0.00 C ATOM 53 OG SER A 6 0.321 -20.938 -6.575 1.00 0.00 O ATOM 0 H SER A 6 2.996 -18.408 -5.354 1.00 0.00 H new ATOM 0 HA SER A 6 0.722 -18.486 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.921 -20.305 -4.710 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.632 -19.691 -5.242 1.00 0.00 H new ATOM 0 HG SER A 6 1.011 -20.769 -7.250 1.00 0.00 H new ATOM 59 N GLY A 7 -0.620 -17.157 -5.227 1.00 0.00 N ATOM 60 CA GLY A 7 -1.098 -16.034 -4.441 1.00 0.00 C ATOM 61 C GLY A 7 -2.508 -15.621 -4.817 1.00 0.00 C ATOM 62 O GLY A 7 -3.167 -16.262 -5.636 1.00 0.00 O ATOM 0 H GLY A 7 -1.344 -17.661 -5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.069 -16.296 -3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.426 -15.187 -4.577 1.00 0.00 H new ATOM 66 N PRO A 8 -2.990 -14.527 -4.210 1.00 0.00 N ATOM 67 CA PRO A 8 -4.336 -14.007 -4.469 1.00 0.00 C ATOM 68 C PRO A 8 -4.466 -13.408 -5.865 1.00 0.00 C ATOM 69 O PRO A 8 -3.471 -13.204 -6.559 1.00 0.00 O ATOM 70 CB PRO A 8 -4.507 -12.921 -3.404 1.00 0.00 C ATOM 71 CG PRO A 8 -3.119 -12.490 -3.075 1.00 0.00 C ATOM 72 CD PRO A 8 -2.259 -13.715 -3.223 1.00 0.00 C ATOM 0 HA PRO A 8 -5.092 -14.791 -4.424 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.101 -12.088 -3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.021 -13.307 -2.524 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.787 -11.697 -3.745 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.063 -12.094 -2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.258 -13.463 -3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.143 -14.242 -2.276 1.00 0.00 H new ATOM 80 N SER A 9 -5.701 -13.128 -6.271 1.00 0.00 N ATOM 81 CA SER A 9 -5.962 -12.556 -7.587 1.00 0.00 C ATOM 82 C SER A 9 -6.723 -11.240 -7.465 1.00 0.00 C ATOM 83 O SER A 9 -6.852 -10.492 -8.433 1.00 0.00 O ATOM 84 CB SER A 9 -6.757 -13.541 -8.446 1.00 0.00 C ATOM 85 OG SER A 9 -5.893 -14.392 -9.179 1.00 0.00 O ATOM 0 H SER A 9 -6.536 -13.288 -5.708 1.00 0.00 H new ATOM 0 HA SER A 9 -5.004 -12.358 -8.067 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.408 -14.140 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.400 -12.992 -9.133 1.00 0.00 H new ATOM 0 HG SER A 9 -6.426 -15.013 -9.718 1.00 0.00 H new ATOM 91 N GLY A 10 -7.227 -10.963 -6.266 1.00 0.00 N ATOM 92 CA GLY A 10 -7.969 -9.737 -6.038 1.00 0.00 C ATOM 93 C GLY A 10 -7.260 -8.798 -5.082 1.00 0.00 C ATOM 94 O GLY A 10 -6.551 -9.241 -4.178 1.00 0.00 O ATOM 0 H GLY A 10 -7.135 -11.566 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.127 -9.230 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.954 -9.981 -5.639 1.00 0.00 H new ATOM 98 N PHE A 11 -7.449 -7.498 -5.282 1.00 0.00 N ATOM 99 CA PHE A 11 -6.819 -6.494 -4.433 1.00 0.00 C ATOM 100 C PHE A 11 -7.839 -5.865 -3.487 1.00 0.00 C ATOM 101 O PHE A 11 -9.044 -5.872 -3.739 1.00 0.00 O ATOM 102 CB PHE A 11 -6.164 -5.409 -5.289 1.00 0.00 C ATOM 103 CG PHE A 11 -7.014 -4.961 -6.443 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.031 -5.679 -7.628 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.797 -3.822 -6.343 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.812 -5.269 -8.692 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.580 -3.407 -7.404 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.589 -4.132 -8.579 1.00 0.00 C ATOM 0 H PHE A 11 -8.034 -7.115 -6.025 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.052 -6.988 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.937 -4.548 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.214 -5.783 -5.671 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.427 -6.569 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.795 -3.252 -5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.815 -5.837 -9.611 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.184 -2.516 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.202 -3.811 -9.408 1.00 0.00 H new ATOM 118 N PRO A 12 -7.345 -5.309 -2.371 1.00 0.00 N ATOM 119 CA PRO A 12 -8.194 -4.665 -1.365 1.00 0.00 C ATOM 120 C PRO A 12 -8.799 -3.358 -1.867 1.00 0.00 C ATOM 121 O PRO A 12 -8.468 -2.889 -2.955 1.00 0.00 O ATOM 122 CB PRO A 12 -7.231 -4.398 -0.206 1.00 0.00 C ATOM 123 CG PRO A 12 -5.887 -4.312 -0.842 1.00 0.00 C ATOM 124 CD PRO A 12 -5.919 -5.264 -2.006 1.00 0.00 C ATOM 0 HA PRO A 12 -9.047 -5.287 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.483 -3.473 0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.269 -5.199 0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.677 -3.296 -1.175 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.103 -4.585 -0.136 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.304 -4.909 -2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.544 -6.249 -1.730 1.00 0.00 H new ATOM 132 N GLN A 13 -9.686 -2.776 -1.066 1.00 0.00 N ATOM 133 CA GLN A 13 -10.337 -1.523 -1.431 1.00 0.00 C ATOM 134 C GLN A 13 -10.267 -0.520 -0.285 1.00 0.00 C ATOM 135 O GLN A 13 -9.679 -0.796 0.760 1.00 0.00 O ATOM 136 CB GLN A 13 -11.796 -1.775 -1.816 1.00 0.00 C ATOM 137 CG GLN A 13 -12.007 -3.067 -2.588 1.00 0.00 C ATOM 138 CD GLN A 13 -11.849 -2.886 -4.085 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.667 -1.769 -4.570 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.918 -3.986 -4.825 1.00 0.00 N ATOM 0 H GLN A 13 -9.970 -3.152 -0.161 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.810 -1.105 -2.288 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.403 -1.799 -0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.154 -0.939 -2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.294 -3.814 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.004 -3.454 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.070 -4.891 -4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.819 -3.926 -5.838 1.00 0.00 H new ATOM 149 N ASN A 14 -10.872 0.646 -0.488 1.00 0.00 N ATOM 150 CA ASN A 14 -10.877 1.692 0.529 1.00 0.00 C ATOM 151 C ASN A 14 -9.458 2.160 0.835 1.00 0.00 C ATOM 152 O ASN A 14 -9.170 2.622 1.940 1.00 0.00 O ATOM 153 CB ASN A 14 -11.546 1.184 1.809 1.00 0.00 C ATOM 154 CG ASN A 14 -13.039 1.449 1.825 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.586 1.925 2.820 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.706 1.139 0.719 1.00 0.00 N ATOM 0 H ASN A 14 -11.365 0.890 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.444 2.539 0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.369 0.113 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.085 1.665 2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.713 1.293 0.671 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.211 0.747 -0.082 1.00 0.00 H new ATOM 163 N LEU A 15 -8.576 2.039 -0.150 1.00 0.00 N ATOM 164 CA LEU A 15 -7.186 2.451 0.013 1.00 0.00 C ATOM 165 C LEU A 15 -7.060 3.970 -0.022 1.00 0.00 C ATOM 166 O LEU A 15 -7.349 4.605 -1.037 1.00 0.00 O ATOM 167 CB LEU A 15 -6.318 1.831 -1.084 1.00 0.00 C ATOM 168 CG LEU A 15 -4.806 1.899 -0.863 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.422 1.183 0.423 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.066 1.302 -2.050 1.00 0.00 C ATOM 0 H LEU A 15 -8.798 1.659 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.840 2.099 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.602 0.785 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.550 2.327 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.518 2.946 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.343 1.242 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.924 1.656 1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.724 0.137 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.992 1.359 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.359 0.259 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.317 1.859 -2.953 1.00 0.00 H new ATOM 182 N HIS A 16 -6.625 4.549 1.093 1.00 0.00 N ATOM 183 CA HIS A 16 -6.458 5.995 1.189 1.00 0.00 C ATOM 184 C HIS A 16 -5.744 6.374 2.483 1.00 0.00 C ATOM 185 O HIS A 16 -5.353 5.508 3.265 1.00 0.00 O ATOM 186 CB HIS A 16 -7.817 6.692 1.120 1.00 0.00 C ATOM 187 CG HIS A 16 -8.804 6.182 2.125 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.907 5.429 1.783 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.847 6.320 3.471 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.587 5.128 2.874 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.965 5.656 3.912 1.00 0.00 N ATOM 0 H HIS A 16 -6.382 4.039 1.942 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.847 6.322 0.348 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.675 7.762 1.273 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.231 6.565 0.120 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.135 6.853 4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.497 4.548 2.911 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.266 5.583 4.884 1.00 0.00 H new ATOM 200 N VAL A 17 -5.575 7.675 2.700 1.00 0.00 N ATOM 201 CA VAL A 17 -4.908 8.169 3.899 1.00 0.00 C ATOM 202 C VAL A 17 -5.909 8.783 4.872 1.00 0.00 C ATOM 203 O VAL A 17 -6.798 9.536 4.473 1.00 0.00 O ATOM 204 CB VAL A 17 -3.837 9.220 3.552 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.459 10.393 2.811 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.125 9.690 4.811 1.00 0.00 C ATOM 0 H VAL A 17 -5.891 8.405 2.062 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.427 7.311 4.370 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.099 8.758 2.896 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.687 11.125 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.918 10.038 1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.219 10.858 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.372 10.432 4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.849 10.134 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.643 8.841 5.295 1.00 0.00 H new ATOM 216 N THR A 18 -5.759 8.455 6.151 1.00 0.00 N ATOM 217 CA THR A 18 -6.650 8.973 7.182 1.00 0.00 C ATOM 218 C THR A 18 -5.992 10.109 7.957 1.00 0.00 C ATOM 219 O THR A 18 -6.634 10.771 8.772 1.00 0.00 O ATOM 220 CB THR A 18 -7.069 7.868 8.170 1.00 0.00 C ATOM 221 OG1 THR A 18 -8.058 8.370 9.076 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.868 7.358 8.953 1.00 0.00 C ATOM 0 H THR A 18 -5.029 7.833 6.498 1.00 0.00 H new ATOM 0 HA THR A 18 -7.537 9.350 6.673 1.00 0.00 H new ATOM 0 HB THR A 18 -7.488 7.040 7.598 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.860 9.305 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.189 6.578 9.644 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.130 6.950 8.262 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.424 8.180 9.514 1.00 0.00 H new ATOM 230 N GLY A 19 -4.707 10.330 7.698 1.00 0.00 N ATOM 231 CA GLY A 19 -3.984 11.388 8.380 1.00 0.00 C ATOM 232 C GLY A 19 -2.540 11.486 7.930 1.00 0.00 C ATOM 233 O GLY A 19 -1.634 11.013 8.618 1.00 0.00 O ATOM 0 H GLY A 19 -4.154 9.796 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.483 12.340 8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.015 11.211 9.455 1.00 0.00 H new ATOM 237 N LEU A 20 -2.323 12.100 6.772 1.00 0.00 N ATOM 238 CA LEU A 20 -0.978 12.257 6.229 1.00 0.00 C ATOM 239 C LEU A 20 -0.172 13.255 7.054 1.00 0.00 C ATOM 240 O LEU A 20 -0.704 13.912 7.949 1.00 0.00 O ATOM 241 CB LEU A 20 -1.045 12.718 4.772 1.00 0.00 C ATOM 242 CG LEU A 20 -1.025 14.230 4.545 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.167 14.549 3.065 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.130 14.904 5.346 1.00 0.00 C ATOM 0 H LEU A 20 -3.061 12.497 6.191 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.479 11.289 6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.205 12.279 4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.955 12.316 4.326 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.066 14.617 4.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.151 15.630 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.341 14.098 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.111 14.149 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.101 15.980 5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.098 14.512 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.984 14.704 6.407 1.00 0.00 H new ATOM 256 N THR A 21 1.116 13.367 6.745 1.00 0.00 N ATOM 257 CA THR A 21 1.996 14.285 7.456 1.00 0.00 C ATOM 258 C THR A 21 3.044 14.877 6.520 1.00 0.00 C ATOM 259 O THR A 21 3.328 14.324 5.457 1.00 0.00 O ATOM 260 CB THR A 21 2.708 13.586 8.629 1.00 0.00 C ATOM 261 OG1 THR A 21 1.760 12.847 9.407 1.00 0.00 O ATOM 262 CG2 THR A 21 3.417 14.601 9.514 1.00 0.00 C ATOM 0 H THR A 21 1.573 12.833 6.006 1.00 0.00 H new ATOM 0 HA THR A 21 1.368 15.085 7.847 1.00 0.00 H new ATOM 0 HB THR A 21 3.452 12.903 8.219 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.132 11.967 9.627 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.913 14.084 10.336 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.158 15.142 8.926 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.688 15.305 9.915 1.00 0.00 H new ATOM 270 N THR A 22 3.619 16.007 6.922 1.00 0.00 N ATOM 271 CA THR A 22 4.636 16.675 6.120 1.00 0.00 C ATOM 272 C THR A 22 5.772 15.721 5.768 1.00 0.00 C ATOM 273 O THR A 22 6.332 15.785 4.673 1.00 0.00 O ATOM 274 CB THR A 22 5.217 17.898 6.853 1.00 0.00 C ATOM 275 OG1 THR A 22 5.608 17.533 8.182 1.00 0.00 O ATOM 276 CG2 THR A 22 4.199 19.028 6.911 1.00 0.00 C ATOM 0 H THR A 22 3.397 16.478 7.799 1.00 0.00 H new ATOM 0 HA THR A 22 4.147 17.008 5.204 1.00 0.00 H new ATOM 0 HB THR A 22 6.090 18.244 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.978 18.316 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.632 19.881 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.925 19.323 5.898 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.310 18.690 7.443 1.00 0.00 H new ATOM 284 N SER A 23 6.108 14.838 6.702 1.00 0.00 N ATOM 285 CA SER A 23 7.181 13.872 6.492 1.00 0.00 C ATOM 286 C SER A 23 6.622 12.459 6.365 1.00 0.00 C ATOM 287 O SER A 23 7.055 11.680 5.515 1.00 0.00 O ATOM 288 CB SER A 23 8.185 13.935 7.644 1.00 0.00 C ATOM 289 OG SER A 23 7.568 13.608 8.877 1.00 0.00 O ATOM 0 H SER A 23 5.653 14.771 7.612 1.00 0.00 H new ATOM 0 HA SER A 23 7.690 14.127 5.562 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.008 13.246 7.452 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.614 14.935 7.702 1.00 0.00 H new ATOM 0 HG SER A 23 8.231 13.654 9.597 1.00 0.00 H new ATOM 295 N THR A 24 5.655 12.132 7.218 1.00 0.00 N ATOM 296 CA THR A 24 5.037 10.813 7.203 1.00 0.00 C ATOM 297 C THR A 24 3.671 10.853 6.528 1.00 0.00 C ATOM 298 O THR A 24 3.123 11.926 6.275 1.00 0.00 O ATOM 299 CB THR A 24 4.876 10.252 8.629 1.00 0.00 C ATOM 300 OG1 THR A 24 3.853 10.973 9.326 1.00 0.00 O ATOM 301 CG2 THR A 24 6.184 10.347 9.399 1.00 0.00 C ATOM 0 H THR A 24 5.284 12.764 7.928 1.00 0.00 H new ATOM 0 HA THR A 24 5.700 10.160 6.636 1.00 0.00 H new ATOM 0 HB THR A 24 4.593 9.202 8.553 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.755 10.610 10.231 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.045 9.945 10.403 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.953 9.774 8.882 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.492 11.390 9.465 1.00 0.00 H new ATOM 309 N THR A 25 3.124 9.676 6.239 1.00 0.00 N ATOM 310 CA THR A 25 1.821 9.577 5.592 1.00 0.00 C ATOM 311 C THR A 25 1.055 8.355 6.084 1.00 0.00 C ATOM 312 O THR A 25 1.464 7.219 5.848 1.00 0.00 O ATOM 313 CB THR A 25 1.959 9.500 4.060 1.00 0.00 C ATOM 314 OG1 THR A 25 2.148 10.812 3.519 1.00 0.00 O ATOM 315 CG2 THR A 25 0.727 8.862 3.437 1.00 0.00 C ATOM 0 H THR A 25 3.563 8.778 6.443 1.00 0.00 H new ATOM 0 HA THR A 25 1.268 10.479 5.854 1.00 0.00 H new ATOM 0 HB THR A 25 2.826 8.882 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.427 11.423 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.848 8.819 2.355 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.602 7.853 3.829 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.153 9.457 3.680 1.00 0.00 H new ATOM 323 N GLU A 26 -0.059 8.596 6.768 1.00 0.00 N ATOM 324 CA GLU A 26 -0.882 7.513 7.293 1.00 0.00 C ATOM 325 C GLU A 26 -1.688 6.852 6.178 1.00 0.00 C ATOM 326 O GLU A 26 -1.833 7.408 5.088 1.00 0.00 O ATOM 327 CB GLU A 26 -1.826 8.039 8.376 1.00 0.00 C ATOM 328 CG GLU A 26 -1.143 8.286 9.711 1.00 0.00 C ATOM 329 CD GLU A 26 -2.120 8.310 10.870 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.845 9.317 11.014 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.159 7.323 11.634 1.00 0.00 O ATOM 0 H GLU A 26 -0.412 9.531 6.971 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.219 6.767 7.730 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.279 8.969 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.636 7.324 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.399 7.508 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.609 9.235 9.671 1.00 0.00 H new ATOM 338 N LEU A 27 -2.209 5.663 6.458 1.00 0.00 N ATOM 339 CA LEU A 27 -3.000 4.925 5.479 1.00 0.00 C ATOM 340 C LEU A 27 -4.114 4.137 6.161 1.00 0.00 C ATOM 341 O LEU A 27 -4.077 3.912 7.371 1.00 0.00 O ATOM 342 CB LEU A 27 -2.104 3.976 4.681 1.00 0.00 C ATOM 343 CG LEU A 27 -0.884 4.609 4.011 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.010 3.541 3.374 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.318 5.635 2.973 1.00 0.00 C ATOM 0 H LEU A 27 -2.098 5.189 7.354 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.454 5.645 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.758 3.187 5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.710 3.498 3.911 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.298 5.120 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.853 4.011 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.330 2.844 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.585 3.001 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.437 6.075 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.927 5.147 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.902 6.418 3.457 1.00 0.00 H new ATOM 357 N ALA A 28 -5.102 3.719 5.377 1.00 0.00 N ATOM 358 CA ALA A 28 -6.224 2.953 5.905 1.00 0.00 C ATOM 359 C ALA A 28 -7.033 2.317 4.779 1.00 0.00 C ATOM 360 O ALA A 28 -7.768 3.001 4.068 1.00 0.00 O ATOM 361 CB ALA A 28 -7.115 3.842 6.760 1.00 0.00 C ATOM 0 H ALA A 28 -5.148 3.898 4.374 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.824 2.152 6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.949 3.256 7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.537 4.245 7.592 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.499 4.663 6.154 1.00 0.00 H new ATOM 367 N TRP A 29 -6.891 1.006 4.623 1.00 0.00 N ATOM 368 CA TRP A 29 -7.609 0.278 3.583 1.00 0.00 C ATOM 369 C TRP A 29 -8.376 -0.900 4.172 1.00 0.00 C ATOM 370 O TRP A 29 -8.310 -1.156 5.375 1.00 0.00 O ATOM 371 CB TRP A 29 -6.634 -0.216 2.513 1.00 0.00 C ATOM 372 CG TRP A 29 -5.619 -1.188 3.036 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.722 -2.549 3.054 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.351 -0.871 3.620 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.593 -3.098 3.613 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.737 -2.090 3.968 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.673 0.323 3.880 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.479 -2.146 4.563 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.425 0.265 4.471 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.838 -0.962 4.806 1.00 0.00 C ATOM 0 H TRP A 29 -6.285 0.425 5.203 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.325 0.960 3.126 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.198 -0.688 1.708 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.117 0.640 2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.566 -3.111 2.684 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.421 -4.095 3.742 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.116 1.274 3.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.025 -3.091 4.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.893 1.182 4.678 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.860 -0.974 5.265 1.00 0.00 H new ATOM 391 N ASP A 30 -9.102 -1.614 3.320 1.00 0.00 N ATOM 392 CA ASP A 30 -9.881 -2.767 3.757 1.00 0.00 C ATOM 393 C ASP A 30 -9.427 -4.033 3.038 1.00 0.00 C ATOM 394 O ASP A 30 -8.761 -3.985 2.004 1.00 0.00 O ATOM 395 CB ASP A 30 -11.370 -2.528 3.505 1.00 0.00 C ATOM 396 CG ASP A 30 -12.068 -1.907 4.699 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.454 -1.044 5.362 1.00 0.00 O ATOM 398 OD2 ASP A 30 -13.227 -2.283 4.971 1.00 0.00 O ATOM 0 H ASP A 30 -9.168 -1.415 2.322 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.719 -2.900 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.489 -1.876 2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.850 -3.475 3.259 1.00 0.00 H new ATOM 403 N PRO A 31 -9.795 -5.196 3.597 1.00 0.00 N ATOM 404 CA PRO A 31 -9.436 -6.497 3.027 1.00 0.00 C ATOM 405 C PRO A 31 -10.171 -6.780 1.721 1.00 0.00 C ATOM 406 O PRO A 31 -11.182 -6.154 1.401 1.00 0.00 O ATOM 407 CB PRO A 31 -9.868 -7.490 4.109 1.00 0.00 C ATOM 408 CG PRO A 31 -10.948 -6.789 4.858 1.00 0.00 C ATOM 409 CD PRO A 31 -10.590 -5.328 4.830 1.00 0.00 C ATOM 0 HA PRO A 31 -8.377 -6.553 2.776 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.230 -8.420 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.036 -7.749 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.920 -6.962 4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.014 -7.155 5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.478 -4.697 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -10.017 -5.037 5.711 1.00 0.00 H new ATOM 417 N PRO A 32 -9.654 -7.746 0.947 1.00 0.00 N ATOM 418 CA PRO A 32 -10.247 -8.135 -0.336 1.00 0.00 C ATOM 419 C PRO A 32 -11.582 -8.851 -0.165 1.00 0.00 C ATOM 420 O PRO A 32 -11.781 -9.593 0.797 1.00 0.00 O ATOM 421 CB PRO A 32 -9.205 -9.082 -0.936 1.00 0.00 C ATOM 422 CG PRO A 32 -8.473 -9.633 0.239 1.00 0.00 C ATOM 423 CD PRO A 32 -8.452 -8.534 1.266 1.00 0.00 C ATOM 0 HA PRO A 32 -10.467 -7.270 -0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.678 -9.875 -1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.531 -8.553 -1.610 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.971 -10.521 0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.461 -9.930 -0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.489 -8.931 2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.546 -7.933 1.192 1.00 0.00 H new ATOM 431 N VAL A 33 -12.495 -8.624 -1.104 1.00 0.00 N ATOM 432 CA VAL A 33 -13.812 -9.249 -1.058 1.00 0.00 C ATOM 433 C VAL A 33 -13.698 -10.770 -1.059 1.00 0.00 C ATOM 434 O VAL A 33 -12.965 -11.348 -1.863 1.00 0.00 O ATOM 435 CB VAL A 33 -14.684 -8.809 -2.248 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.105 -7.355 -2.094 1.00 0.00 C ATOM 437 CG2 VAL A 33 -13.943 -9.022 -3.559 1.00 0.00 C ATOM 0 H VAL A 33 -12.347 -8.012 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.285 -8.924 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.584 -9.423 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.721 -7.062 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.678 -7.238 -1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.219 -6.722 -2.053 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.574 -8.706 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.025 -8.435 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -13.698 -10.078 -3.671 1.00 0.00 H new ATOM 447 N LEU A 34 -14.429 -11.413 -0.156 1.00 0.00 N ATOM 448 CA LEU A 34 -14.412 -12.868 -0.052 1.00 0.00 C ATOM 449 C LEU A 34 -14.699 -13.513 -1.404 1.00 0.00 C ATOM 450 O LEU A 34 -14.409 -14.690 -1.615 1.00 0.00 O ATOM 451 CB LEU A 34 -15.440 -13.338 0.978 1.00 0.00 C ATOM 452 CG LEU A 34 -16.908 -13.174 0.585 1.00 0.00 C ATOM 453 CD1 LEU A 34 -17.759 -14.252 1.238 1.00 0.00 C ATOM 454 CD2 LEU A 34 -17.412 -11.790 0.967 1.00 0.00 C ATOM 0 H LEU A 34 -15.041 -10.950 0.515 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.417 -13.173 0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.257 -14.391 1.190 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.270 -12.792 1.906 1.00 0.00 H new ATOM 0 HG LEU A 34 -16.988 -13.282 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.801 -14.119 0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -17.414 -15.234 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.673 -14.177 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.459 -11.692 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.317 -11.653 2.044 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.822 -11.033 0.451 1.00 0.00 H new ATOM 466 N ALA A 35 -15.268 -12.733 -2.318 1.00 0.00 N ATOM 467 CA ALA A 35 -15.590 -13.227 -3.651 1.00 0.00 C ATOM 468 C ALA A 35 -14.325 -13.583 -4.425 1.00 0.00 C ATOM 469 O ALA A 35 -14.239 -14.648 -5.035 1.00 0.00 O ATOM 470 CB ALA A 35 -16.405 -12.193 -4.414 1.00 0.00 C ATOM 0 H ALA A 35 -15.515 -11.756 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.185 -14.134 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.639 -12.575 -5.408 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.331 -11.991 -3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.830 -11.272 -4.505 1.00 0.00 H new ATOM 476 N GLU A 36 -13.346 -12.684 -4.395 1.00 0.00 N ATOM 477 CA GLU A 36 -12.086 -12.905 -5.096 1.00 0.00 C ATOM 478 C GLU A 36 -11.103 -13.675 -4.219 1.00 0.00 C ATOM 479 O GLU A 36 -10.343 -14.511 -4.708 1.00 0.00 O ATOM 480 CB GLU A 36 -11.471 -11.568 -5.517 1.00 0.00 C ATOM 481 CG GLU A 36 -12.115 -10.965 -6.754 1.00 0.00 C ATOM 482 CD GLU A 36 -11.612 -11.594 -8.039 1.00 0.00 C ATOM 483 OE1 GLU A 36 -12.004 -12.744 -8.329 1.00 0.00 O ATOM 484 OE2 GLU A 36 -10.828 -10.937 -8.755 1.00 0.00 O ATOM 0 H GLU A 36 -13.401 -11.797 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.294 -13.499 -5.986 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.558 -10.862 -4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.407 -11.710 -5.704 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.196 -11.088 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.917 -9.893 -6.777 1.00 0.00 H new ATOM 491 N ARG A 37 -11.125 -13.388 -2.922 1.00 0.00 N ATOM 492 CA ARG A 37 -10.236 -14.052 -1.977 1.00 0.00 C ATOM 493 C ARG A 37 -10.009 -15.507 -2.374 1.00 0.00 C ATOM 494 O ARG A 37 -10.906 -16.341 -2.253 1.00 0.00 O ATOM 495 CB ARG A 37 -10.815 -13.982 -0.563 1.00 0.00 C ATOM 496 CG ARG A 37 -10.717 -12.603 0.069 1.00 0.00 C ATOM 497 CD ARG A 37 -11.095 -12.637 1.541 1.00 0.00 C ATOM 498 NE ARG A 37 -10.014 -13.160 2.373 1.00 0.00 N ATOM 499 CZ ARG A 37 -10.043 -13.161 3.701 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.093 -12.669 4.345 1.00 0.00 N ATOM 501 NH2 ARG A 37 -9.021 -13.655 4.387 1.00 0.00 N ATOM 0 H ARG A 37 -11.749 -12.700 -2.501 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.277 -13.535 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.862 -14.285 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.293 -14.700 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.701 -12.224 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.373 -11.912 -0.460 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.353 -11.631 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.984 -13.254 1.673 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.192 -13.546 1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.881 -12.289 3.820 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.113 -12.671 5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.212 -14.034 3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.044 -13.655 5.407 1.00 0.00 H new ATOM 515 N ASN A 38 -8.804 -15.805 -2.849 1.00 0.00 N ATOM 516 CA ASN A 38 -8.460 -17.160 -3.266 1.00 0.00 C ATOM 517 C ASN A 38 -7.871 -17.953 -2.103 1.00 0.00 C ATOM 518 O ASN A 38 -7.064 -18.860 -2.302 1.00 0.00 O ATOM 519 CB ASN A 38 -7.465 -17.121 -4.427 1.00 0.00 C ATOM 520 CG ASN A 38 -8.143 -16.883 -5.763 1.00 0.00 C ATOM 521 OD1 ASN A 38 -9.371 -16.851 -5.851 1.00 0.00 O ATOM 522 ND2 ASN A 38 -7.345 -16.715 -6.810 1.00 0.00 N ATOM 0 H ASN A 38 -8.049 -15.127 -2.955 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.373 -17.656 -3.596 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.734 -16.333 -4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.917 -18.062 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.744 -16.551 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.333 -16.749 -6.690 1.00 0.00 H new ATOM 529 N GLY A 39 -8.283 -17.605 -0.888 1.00 0.00 N ATOM 530 CA GLY A 39 -7.787 -18.295 0.289 1.00 0.00 C ATOM 531 C GLY A 39 -7.868 -17.441 1.539 1.00 0.00 C ATOM 532 O GLY A 39 -8.955 -17.037 1.953 1.00 0.00 O ATOM 0 H GLY A 39 -8.951 -16.858 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.361 -19.209 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.752 -18.593 0.123 1.00 0.00 H new ATOM 536 N ARG A 40 -6.717 -17.166 2.142 1.00 0.00 N ATOM 537 CA ARG A 40 -6.663 -16.357 3.354 1.00 0.00 C ATOM 538 C ARG A 40 -5.585 -15.282 3.243 1.00 0.00 C ATOM 539 O ARG A 40 -4.763 -15.307 2.327 1.00 0.00 O ATOM 540 CB ARG A 40 -6.391 -17.242 4.572 1.00 0.00 C ATOM 541 CG ARG A 40 -7.636 -17.913 5.127 1.00 0.00 C ATOM 542 CD ARG A 40 -7.413 -18.417 6.545 1.00 0.00 C ATOM 543 NE ARG A 40 -8.665 -18.794 7.195 1.00 0.00 N ATOM 544 CZ ARG A 40 -8.783 -18.989 8.504 1.00 0.00 C ATOM 545 NH1 ARG A 40 -7.731 -18.842 9.297 1.00 0.00 N ATOM 546 NH2 ARG A 40 -9.956 -19.330 9.022 1.00 0.00 N ATOM 0 H ARG A 40 -5.809 -17.491 1.811 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.629 -15.868 3.477 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.666 -18.009 4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.935 -16.637 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.466 -17.207 5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.919 -18.746 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.743 -19.276 6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.919 -17.642 7.132 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.494 -18.914 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.828 -18.579 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.825 -18.992 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.768 -19.443 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.046 -19.480 10.027 1.00 0.00 H new ATOM 560 N ILE A 41 -5.597 -14.341 4.180 1.00 0.00 N ATOM 561 CA ILE A 41 -4.622 -13.258 4.187 1.00 0.00 C ATOM 562 C ILE A 41 -3.690 -13.365 5.389 1.00 0.00 C ATOM 563 O ILE A 41 -4.101 -13.789 6.470 1.00 0.00 O ATOM 564 CB ILE A 41 -5.310 -11.880 4.206 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.394 -11.812 3.129 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.285 -10.774 4.005 1.00 0.00 C ATOM 567 CD1 ILE A 41 -5.933 -12.306 1.776 1.00 0.00 C ATOM 0 H ILE A 41 -6.271 -14.307 4.945 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.041 -13.352 3.270 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.782 -11.739 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.251 -12.404 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.736 -10.781 3.033 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.786 -9.806 4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.546 -10.813 4.805 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.787 -10.909 3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -6.753 -12.229 1.062 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.095 -11.699 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.619 -13.347 1.856 1.00 0.00 H new ATOM 579 N ILE A 42 -2.434 -12.978 5.194 1.00 0.00 N ATOM 580 CA ILE A 42 -1.445 -13.028 6.263 1.00 0.00 C ATOM 581 C ILE A 42 -0.841 -11.651 6.519 1.00 0.00 C ATOM 582 O ILE A 42 -0.545 -11.294 7.659 1.00 0.00 O ATOM 583 CB ILE A 42 -0.312 -14.019 5.936 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.167 -13.823 4.496 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.781 -15.450 6.153 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.241 -14.803 4.078 1.00 0.00 C ATOM 0 H ILE A 42 -2.077 -12.626 4.305 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.966 -13.366 7.159 1.00 0.00 H new ATOM 0 HB ILE A 42 0.525 -13.825 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.684 -13.920 3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.549 -12.808 4.384 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.031 -16.139 5.918 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.078 -15.582 7.193 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.632 -15.657 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.532 -14.605 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.109 -14.691 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.857 -15.820 4.158 1.00 0.00 H new ATOM 598 N SER A 43 -0.664 -10.881 5.450 1.00 0.00 N ATOM 599 CA SER A 43 -0.095 -9.543 5.558 1.00 0.00 C ATOM 600 C SER A 43 -0.248 -8.779 4.246 1.00 0.00 C ATOM 601 O SER A 43 -0.676 -9.338 3.236 1.00 0.00 O ATOM 602 CB SER A 43 1.383 -9.624 5.944 1.00 0.00 C ATOM 603 OG SER A 43 1.776 -8.493 6.701 1.00 0.00 O ATOM 0 H SER A 43 -0.906 -11.161 4.500 1.00 0.00 H new ATOM 0 HA SER A 43 -0.638 -9.006 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.562 -10.531 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.994 -9.693 5.044 1.00 0.00 H new ATOM 0 HG SER A 43 1.024 -7.868 6.770 1.00 0.00 H new ATOM 609 N TYR A 44 0.104 -7.499 4.269 1.00 0.00 N ATOM 610 CA TYR A 44 0.004 -6.657 3.083 1.00 0.00 C ATOM 611 C TYR A 44 1.303 -5.892 2.847 1.00 0.00 C ATOM 612 O TYR A 44 2.091 -5.681 3.769 1.00 0.00 O ATOM 613 CB TYR A 44 -1.160 -5.675 3.226 1.00 0.00 C ATOM 614 CG TYR A 44 -2.510 -6.347 3.332 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.863 -7.066 4.467 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.433 -6.262 2.297 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.095 -7.683 4.568 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.668 -6.875 2.389 1.00 0.00 C ATOM 619 CZ TYR A 44 -4.994 -7.584 3.526 1.00 0.00 C ATOM 620 OH TYR A 44 -6.223 -8.195 3.623 1.00 0.00 O ATOM 0 H TYR A 44 0.461 -7.021 5.096 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.177 -7.303 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.999 -5.060 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.165 -5.003 2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.162 -7.144 5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.181 -5.707 1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.353 -8.239 5.457 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.374 -6.799 1.575 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.867 -7.574 4.023 1.00 0.00 H new ATOM 630 N THR A 45 1.520 -5.479 1.602 1.00 0.00 N ATOM 631 CA THR A 45 2.722 -4.738 1.241 1.00 0.00 C ATOM 632 C THR A 45 2.378 -3.337 0.748 1.00 0.00 C ATOM 633 O THR A 45 1.702 -3.174 -0.267 1.00 0.00 O ATOM 634 CB THR A 45 3.527 -5.470 0.151 1.00 0.00 C ATOM 635 OG1 THR A 45 3.882 -6.783 0.602 1.00 0.00 O ATOM 636 CG2 THR A 45 4.786 -4.694 -0.205 1.00 0.00 C ATOM 0 H THR A 45 0.878 -5.645 0.827 1.00 0.00 H new ATOM 0 HA THR A 45 3.329 -4.663 2.143 1.00 0.00 H new ATOM 0 HB THR A 45 2.903 -5.548 -0.739 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.957 -7.384 -0.168 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.338 -5.230 -0.977 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.512 -3.706 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.411 -4.589 0.682 1.00 0.00 H new ATOM 644 N VAL A 46 2.848 -2.328 1.474 1.00 0.00 N ATOM 645 CA VAL A 46 2.592 -0.940 1.109 1.00 0.00 C ATOM 646 C VAL A 46 3.752 -0.359 0.308 1.00 0.00 C ATOM 647 O VAL A 46 4.770 0.043 0.871 1.00 0.00 O ATOM 648 CB VAL A 46 2.355 -0.066 2.355 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.144 1.387 1.957 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.168 -0.587 3.152 1.00 0.00 C ATOM 0 H VAL A 46 3.408 -2.446 2.318 1.00 0.00 H new ATOM 0 HA VAL A 46 1.692 -0.936 0.495 1.00 0.00 H new ATOM 0 HB VAL A 46 3.241 -0.119 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.978 1.989 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.027 1.752 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.276 1.463 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.014 0.042 4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.274 -0.566 2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.364 -1.611 3.470 1.00 0.00 H new ATOM 660 N VAL A 47 3.590 -0.316 -1.011 1.00 0.00 N ATOM 661 CA VAL A 47 4.623 0.217 -1.891 1.00 0.00 C ATOM 662 C VAL A 47 4.417 1.707 -2.140 1.00 0.00 C ATOM 663 O VAL A 47 3.475 2.109 -2.824 1.00 0.00 O ATOM 664 CB VAL A 47 4.645 -0.520 -3.243 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.834 -0.070 -4.078 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.673 -2.026 -3.028 1.00 0.00 C ATOM 0 H VAL A 47 2.753 -0.644 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 47 5.577 0.064 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 47 3.735 -0.270 -3.788 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.833 -0.602 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.765 1.002 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.758 -0.288 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.688 -2.531 -3.994 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.565 -2.296 -2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.786 -2.331 -2.473 1.00 0.00 H new ATOM 676 N PHE A 48 5.304 2.524 -1.581 1.00 0.00 N ATOM 677 CA PHE A 48 5.219 3.970 -1.742 1.00 0.00 C ATOM 678 C PHE A 48 6.425 4.504 -2.511 1.00 0.00 C ATOM 679 O PHE A 48 7.570 4.194 -2.182 1.00 0.00 O ATOM 680 CB PHE A 48 5.129 4.653 -0.376 1.00 0.00 C ATOM 681 CG PHE A 48 6.254 4.290 0.551 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.335 3.021 1.101 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.231 5.219 0.871 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.369 2.686 1.954 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.268 4.889 1.724 1.00 0.00 C ATOM 686 CZ PHE A 48 8.338 3.620 2.265 1.00 0.00 C ATOM 0 H PHE A 48 6.090 2.209 -1.012 1.00 0.00 H new ATOM 0 HA PHE A 48 4.318 4.194 -2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.121 5.734 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.182 4.386 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.582 2.286 0.860 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.182 6.212 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.420 1.694 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.022 5.623 1.967 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.148 3.359 2.929 1.00 0.00 H new ATOM 696 N ARG A 49 6.158 5.306 -3.536 1.00 0.00 N ATOM 697 CA ARG A 49 7.220 5.881 -4.353 1.00 0.00 C ATOM 698 C ARG A 49 6.819 7.257 -4.875 1.00 0.00 C ATOM 699 O ARG A 49 5.672 7.474 -5.266 1.00 0.00 O ATOM 700 CB ARG A 49 7.549 4.955 -5.525 1.00 0.00 C ATOM 701 CG ARG A 49 8.420 5.604 -6.589 1.00 0.00 C ATOM 702 CD ARG A 49 8.437 4.786 -7.870 1.00 0.00 C ATOM 703 NE ARG A 49 7.101 4.629 -8.438 1.00 0.00 N ATOM 704 CZ ARG A 49 6.778 3.677 -9.306 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.690 2.801 -9.704 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.540 3.600 -9.778 1.00 0.00 N ATOM 0 H ARG A 49 5.215 5.573 -3.821 1.00 0.00 H new ATOM 0 HA ARG A 49 8.106 5.992 -3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.055 4.068 -5.145 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.619 4.619 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.050 6.607 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.437 5.713 -6.212 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.086 5.269 -8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.862 3.803 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 49 6.376 5.287 -8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.643 2.857 -9.344 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.439 2.071 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.836 4.272 -9.474 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.293 2.869 -10.445 1.00 0.00 H new ATOM 720 N ASP A 50 7.772 8.183 -4.878 1.00 0.00 N ATOM 721 CA ASP A 50 7.519 9.539 -5.353 1.00 0.00 C ATOM 722 C ASP A 50 7.428 9.574 -6.875 1.00 0.00 C ATOM 723 O ASP A 50 8.413 9.326 -7.571 1.00 0.00 O ATOM 724 CB ASP A 50 8.622 10.484 -4.874 1.00 0.00 C ATOM 725 CG ASP A 50 8.531 11.853 -5.518 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.416 12.246 -5.921 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.574 12.532 -5.619 1.00 0.00 O ATOM 0 H ASP A 50 8.726 8.020 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 50 6.565 9.869 -4.942 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.560 10.590 -3.791 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.595 10.045 -5.096 1.00 0.00 H new ATOM 732 N ILE A 51 6.240 9.881 -7.385 1.00 0.00 N ATOM 733 CA ILE A 51 6.021 9.948 -8.824 1.00 0.00 C ATOM 734 C ILE A 51 6.928 10.989 -9.471 1.00 0.00 C ATOM 735 O ILE A 51 7.135 10.979 -10.683 1.00 0.00 O ATOM 736 CB ILE A 51 4.555 10.284 -9.156 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.159 11.618 -8.521 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.635 9.170 -8.678 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.879 12.198 -9.083 1.00 0.00 C ATOM 0 H ILE A 51 5.414 10.087 -6.823 1.00 0.00 H new ATOM 0 HA ILE A 51 6.259 8.963 -9.225 1.00 0.00 H new ATOM 0 HB ILE A 51 4.454 10.373 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.045 11.480 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.968 12.335 -8.666 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.602 9.422 -8.920 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.906 8.237 -9.172 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.737 9.052 -7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.659 13.143 -8.587 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.996 12.368 -10.153 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.059 11.500 -8.914 1.00 0.00 H new ATOM 751 N ASN A 52 7.468 11.886 -8.651 1.00 0.00 N ATOM 752 CA ASN A 52 8.354 12.934 -9.143 1.00 0.00 C ATOM 753 C ASN A 52 9.815 12.505 -9.038 1.00 0.00 C ATOM 754 O ASN A 52 10.717 13.230 -9.456 1.00 0.00 O ATOM 755 CB ASN A 52 8.134 14.228 -8.357 1.00 0.00 C ATOM 756 CG ASN A 52 6.712 14.742 -8.477 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.387 15.496 -9.394 1.00 0.00 O ATOM 758 ND2 ASN A 52 5.855 14.333 -7.547 1.00 0.00 N ATOM 0 H ASN A 52 7.307 11.908 -7.644 1.00 0.00 H new ATOM 0 HA ASN A 52 8.119 13.110 -10.193 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.368 14.056 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.825 14.991 -8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.884 14.645 -7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.168 13.708 -6.805 1.00 0.00 H new ATOM 765 N SER A 53 10.039 11.321 -8.477 1.00 0.00 N ATOM 766 CA SER A 53 11.389 10.796 -8.313 1.00 0.00 C ATOM 767 C SER A 53 11.448 9.319 -8.692 1.00 0.00 C ATOM 768 O SER A 53 10.433 8.717 -9.041 1.00 0.00 O ATOM 769 CB SER A 53 11.861 10.983 -6.870 1.00 0.00 C ATOM 770 OG SER A 53 12.519 12.227 -6.705 1.00 0.00 O ATOM 0 H SER A 53 9.303 10.707 -8.128 1.00 0.00 H new ATOM 0 HA SER A 53 12.050 11.351 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.007 10.928 -6.195 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.536 10.172 -6.597 1.00 0.00 H new ATOM 0 HG SER A 53 12.809 12.323 -5.774 1.00 0.00 H new ATOM 776 N GLN A 54 12.643 8.743 -8.619 1.00 0.00 N ATOM 777 CA GLN A 54 12.834 7.337 -8.955 1.00 0.00 C ATOM 778 C GLN A 54 13.211 6.528 -7.718 1.00 0.00 C ATOM 779 O GLN A 54 13.962 5.557 -7.806 1.00 0.00 O ATOM 780 CB GLN A 54 13.918 7.189 -10.025 1.00 0.00 C ATOM 781 CG GLN A 54 13.893 5.845 -10.734 1.00 0.00 C ATOM 782 CD GLN A 54 14.940 5.741 -11.825 1.00 0.00 C ATOM 783 OE1 GLN A 54 14.679 6.063 -12.985 1.00 0.00 O ATOM 784 NE2 GLN A 54 16.135 5.291 -11.459 1.00 0.00 N ATOM 0 H GLN A 54 13.493 9.227 -8.330 1.00 0.00 H new ATOM 0 HA GLN A 54 11.892 6.952 -9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.799 7.982 -10.763 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.895 7.328 -9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.054 5.051 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.906 5.685 -11.167 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.308 5.036 -10.487 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.880 5.201 -12.150 1.00 0.00 H new ATOM 793 N GLN A 55 12.685 6.936 -6.568 1.00 0.00 N ATOM 794 CA GLN A 55 12.968 6.249 -5.313 1.00 0.00 C ATOM 795 C GLN A 55 11.811 5.335 -4.920 1.00 0.00 C ATOM 796 O GLN A 55 10.802 5.792 -4.385 1.00 0.00 O ATOM 797 CB GLN A 55 13.232 7.264 -4.200 1.00 0.00 C ATOM 798 CG GLN A 55 13.362 6.636 -2.822 1.00 0.00 C ATOM 799 CD GLN A 55 14.532 5.677 -2.725 1.00 0.00 C ATOM 800 OE1 GLN A 55 15.664 6.084 -2.460 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.266 4.394 -2.941 1.00 0.00 N ATOM 0 H GLN A 55 12.061 7.738 -6.479 1.00 0.00 H new ATOM 0 HA GLN A 55 13.859 5.637 -5.456 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.147 7.811 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.421 7.992 -4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.480 7.424 -2.078 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.441 6.105 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.314 4.100 -3.158 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.014 3.702 -2.890 1.00 0.00 H new ATOM 810 N GLU A 56 11.967 4.043 -5.190 1.00 0.00 N ATOM 811 CA GLU A 56 10.934 3.066 -4.865 1.00 0.00 C ATOM 812 C GLU A 56 11.147 2.494 -3.466 1.00 0.00 C ATOM 813 O GLU A 56 12.277 2.219 -3.061 1.00 0.00 O ATOM 814 CB GLU A 56 10.929 1.934 -5.895 1.00 0.00 C ATOM 815 CG GLU A 56 9.780 0.957 -5.719 1.00 0.00 C ATOM 816 CD GLU A 56 10.021 -0.361 -6.430 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.756 -0.364 -7.440 1.00 0.00 O ATOM 818 OE2 GLU A 56 9.475 -1.389 -5.977 1.00 0.00 O ATOM 0 H GLU A 56 12.797 3.649 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 56 9.970 3.574 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.879 2.364 -6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.871 1.390 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.627 0.770 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.863 1.408 -6.098 1.00 0.00 H new ATOM 825 N LEU A 57 10.053 2.320 -2.732 1.00 0.00 N ATOM 826 CA LEU A 57 10.118 1.782 -1.378 1.00 0.00 C ATOM 827 C LEU A 57 8.800 1.118 -0.992 1.00 0.00 C ATOM 828 O LEU A 57 7.733 1.520 -1.455 1.00 0.00 O ATOM 829 CB LEU A 57 10.454 2.893 -0.382 1.00 0.00 C ATOM 830 CG LEU A 57 11.674 3.750 -0.719 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.676 5.025 0.110 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.957 2.964 -0.494 1.00 0.00 C ATOM 0 H LEU A 57 9.111 2.544 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 57 10.905 1.028 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.588 3.549 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.612 2.440 0.597 1.00 0.00 H new ATOM 0 HG LEU A 57 11.620 4.026 -1.772 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.552 5.622 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.773 5.598 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.705 4.770 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.815 3.590 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.018 2.658 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.959 2.080 -1.132 1.00 0.00 H new ATOM 844 N GLN A 58 8.883 0.102 -0.139 1.00 0.00 N ATOM 845 CA GLN A 58 7.696 -0.616 0.310 1.00 0.00 C ATOM 846 C GLN A 58 7.809 -0.986 1.785 1.00 0.00 C ATOM 847 O GLN A 58 8.856 -0.797 2.404 1.00 0.00 O ATOM 848 CB GLN A 58 7.488 -1.877 -0.530 1.00 0.00 C ATOM 849 CG GLN A 58 7.708 -1.659 -2.018 1.00 0.00 C ATOM 850 CD GLN A 58 9.132 -1.953 -2.447 1.00 0.00 C ATOM 851 OE1 GLN A 58 9.919 -1.039 -2.695 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.472 -3.234 -2.535 1.00 0.00 N ATOM 0 H GLN A 58 9.759 -0.242 0.255 1.00 0.00 H new ATOM 0 HA GLN A 58 6.836 0.041 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.169 -2.653 -0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.475 -2.247 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.025 -2.296 -2.580 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.462 -0.627 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.788 -3.959 -2.320 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.417 -3.492 -2.817 1.00 0.00 H new ATOM 861 N ASN A 59 6.725 -1.516 2.343 1.00 0.00 N ATOM 862 CA ASN A 59 6.704 -1.912 3.746 1.00 0.00 C ATOM 863 C ASN A 59 5.771 -3.101 3.961 1.00 0.00 C ATOM 864 O ASN A 59 5.007 -3.473 3.070 1.00 0.00 O ATOM 865 CB ASN A 59 6.262 -0.739 4.622 1.00 0.00 C ATOM 866 CG ASN A 59 7.379 0.261 4.855 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.211 1.459 4.629 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.526 -0.229 5.310 1.00 0.00 N ATOM 0 H ASN A 59 5.850 -1.681 1.845 1.00 0.00 H new ATOM 0 HA ASN A 59 7.714 -2.208 4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.419 -0.234 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.911 -1.118 5.582 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.313 0.395 5.486 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.620 -1.230 5.483 1.00 0.00 H new ATOM 875 N ILE A 60 5.840 -3.692 5.149 1.00 0.00 N ATOM 876 CA ILE A 60 5.001 -4.837 5.481 1.00 0.00 C ATOM 877 C ILE A 60 4.373 -4.676 6.862 1.00 0.00 C ATOM 878 O ILE A 60 5.040 -4.280 7.818 1.00 0.00 O ATOM 879 CB ILE A 60 5.802 -6.151 5.445 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.530 -6.294 4.106 1.00 0.00 C ATOM 881 CG2 ILE A 60 4.882 -7.339 5.683 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.551 -7.409 4.089 1.00 0.00 C ATOM 0 H ILE A 60 6.468 -3.397 5.897 1.00 0.00 H new ATOM 0 HA ILE A 60 4.214 -4.880 4.728 1.00 0.00 H new ATOM 0 HB ILE A 60 6.546 -6.127 6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.796 -6.472 3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.027 -5.353 3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.463 -8.261 5.655 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.405 -7.240 6.658 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.117 -7.368 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.027 -7.451 3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.307 -7.222 4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.056 -8.359 4.293 1.00 0.00 H new ATOM 894 N THR A 61 3.084 -4.987 6.960 1.00 0.00 N ATOM 895 CA THR A 61 2.365 -4.878 8.223 1.00 0.00 C ATOM 896 C THR A 61 1.220 -5.881 8.292 1.00 0.00 C ATOM 897 O THR A 61 0.546 -6.141 7.294 1.00 0.00 O ATOM 898 CB THR A 61 1.803 -3.459 8.428 1.00 0.00 C ATOM 899 OG1 THR A 61 1.098 -3.386 9.672 1.00 0.00 O ATOM 900 CG2 THR A 61 0.870 -3.076 7.288 1.00 0.00 C ATOM 0 H THR A 61 2.517 -5.317 6.179 1.00 0.00 H new ATOM 0 HA THR A 61 3.082 -5.095 9.015 1.00 0.00 H new ATOM 0 HB THR A 61 2.639 -2.760 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.745 -2.480 9.795 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.486 -2.070 7.455 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.417 -3.104 6.345 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.039 -3.780 7.246 1.00 0.00 H new ATOM 908 N THR A 62 1.002 -6.444 9.477 1.00 0.00 N ATOM 909 CA THR A 62 -0.062 -7.419 9.676 1.00 0.00 C ATOM 910 C THR A 62 -1.399 -6.731 9.927 1.00 0.00 C ATOM 911 O THR A 62 -2.313 -7.321 10.502 1.00 0.00 O ATOM 912 CB THR A 62 0.249 -8.357 10.858 1.00 0.00 C ATOM 913 OG1 THR A 62 0.409 -7.594 12.059 1.00 0.00 O ATOM 914 CG2 THR A 62 1.512 -9.163 10.591 1.00 0.00 C ATOM 0 H THR A 62 1.549 -6.241 10.313 1.00 0.00 H new ATOM 0 HA THR A 62 -0.125 -8.008 8.761 1.00 0.00 H new ATOM 0 HB THR A 62 -0.586 -9.048 10.975 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.605 -8.197 12.806 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.712 -9.818 11.439 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.377 -9.764 9.692 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.354 -8.485 10.450 1.00 0.00 H new ATOM 922 N ASP A 63 -1.506 -5.481 9.491 1.00 0.00 N ATOM 923 CA ASP A 63 -2.733 -4.712 9.666 1.00 0.00 C ATOM 924 C ASP A 63 -3.209 -4.137 8.336 1.00 0.00 C ATOM 925 O ASP A 63 -2.442 -4.042 7.378 1.00 0.00 O ATOM 926 CB ASP A 63 -2.514 -3.584 10.675 1.00 0.00 C ATOM 927 CG ASP A 63 -2.772 -4.025 12.102 1.00 0.00 C ATOM 928 OD1 ASP A 63 -2.477 -5.195 12.424 1.00 0.00 O ATOM 929 OD2 ASP A 63 -3.271 -3.201 12.897 1.00 0.00 O ATOM 0 H ASP A 63 -0.758 -4.978 9.014 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.502 -5.384 10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.491 -3.218 10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.172 -2.750 10.431 1.00 0.00 H new ATOM 934 N THR A 64 -4.481 -3.754 8.284 1.00 0.00 N ATOM 935 CA THR A 64 -5.060 -3.190 7.071 1.00 0.00 C ATOM 936 C THR A 64 -4.730 -1.707 6.942 1.00 0.00 C ATOM 937 O THR A 64 -5.392 -0.976 6.205 1.00 0.00 O ATOM 938 CB THR A 64 -6.590 -3.368 7.044 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.107 -3.372 8.379 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.972 -4.663 6.343 1.00 0.00 C ATOM 0 H THR A 64 -5.130 -3.824 9.068 1.00 0.00 H new ATOM 0 HA THR A 64 -4.623 -3.731 6.231 1.00 0.00 H new ATOM 0 HB THR A 64 -7.021 -2.533 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.080 -3.484 8.353 1.00 0.00 H new ATOM 0 HG21 THR A 64 -8.057 -4.767 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.603 -4.644 5.318 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.530 -5.507 6.872 1.00 0.00 H new ATOM 948 N ARG A 65 -3.703 -1.270 7.663 1.00 0.00 N ATOM 949 CA ARG A 65 -3.286 0.127 7.629 1.00 0.00 C ATOM 950 C ARG A 65 -1.772 0.246 7.782 1.00 0.00 C ATOM 951 O ARG A 65 -1.108 -0.688 8.233 1.00 0.00 O ATOM 952 CB ARG A 65 -3.984 0.917 8.738 1.00 0.00 C ATOM 953 CG ARG A 65 -3.522 0.543 10.136 1.00 0.00 C ATOM 954 CD ARG A 65 -2.342 1.393 10.579 1.00 0.00 C ATOM 955 NE ARG A 65 -2.021 1.192 11.990 1.00 0.00 N ATOM 956 CZ ARG A 65 -1.366 2.081 12.728 1.00 0.00 C ATOM 957 NH1 ARG A 65 -0.965 3.226 12.193 1.00 0.00 N ATOM 958 NH2 ARG A 65 -1.112 1.826 14.005 1.00 0.00 N ATOM 0 H ARG A 65 -3.145 -1.862 8.277 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.571 0.542 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.809 1.981 8.579 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.060 0.756 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.346 0.668 10.838 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.242 -0.510 10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.471 1.149 9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.568 2.445 10.405 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.316 0.322 12.432 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.159 3.426 11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.462 3.907 12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.420 0.947 14.421 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.609 2.509 14.571 1.00 0.00 H new ATOM 972 N PHE A 66 -1.233 1.400 7.402 1.00 0.00 N ATOM 973 CA PHE A 66 0.202 1.640 7.495 1.00 0.00 C ATOM 974 C PHE A 66 0.510 3.132 7.408 1.00 0.00 C ATOM 975 O PHE A 66 -0.238 3.898 6.798 1.00 0.00 O ATOM 976 CB PHE A 66 0.939 0.890 6.384 1.00 0.00 C ATOM 977 CG PHE A 66 2.430 0.867 6.563 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.034 -0.118 7.327 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.228 1.832 5.968 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.406 -0.142 7.494 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.600 1.812 6.130 1.00 0.00 C ATOM 982 CZ PHE A 66 5.190 0.825 6.895 1.00 0.00 C ATOM 0 H PHE A 66 -1.768 2.183 7.027 1.00 0.00 H new ATOM 0 HA PHE A 66 0.545 1.272 8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.570 -0.135 6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.703 1.353 5.426 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.426 -0.876 7.798 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.772 2.608 5.371 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.864 -0.916 8.092 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.211 2.568 5.659 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.262 0.809 7.025 1.00 0.00 H new ATOM 992 N THR A 67 1.616 3.539 8.022 1.00 0.00 N ATOM 993 CA THR A 67 2.024 4.938 8.016 1.00 0.00 C ATOM 994 C THR A 67 3.437 5.097 7.469 1.00 0.00 C ATOM 995 O THR A 67 4.412 4.713 8.117 1.00 0.00 O ATOM 996 CB THR A 67 1.961 5.548 9.430 1.00 0.00 C ATOM 997 OG1 THR A 67 0.663 5.336 9.997 1.00 0.00 O ATOM 998 CG2 THR A 67 2.266 7.037 9.391 1.00 0.00 C ATOM 0 H THR A 67 2.246 2.919 8.530 1.00 0.00 H new ATOM 0 HA THR A 67 1.325 5.468 7.368 1.00 0.00 H new ATOM 0 HB THR A 67 2.712 5.056 10.048 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.631 5.725 10.896 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.216 7.445 10.400 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.266 7.193 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.536 7.542 8.759 1.00 0.00 H new ATOM 1006 N LEU A 68 3.543 5.666 6.273 1.00 0.00 N ATOM 1007 CA LEU A 68 4.840 5.877 5.638 1.00 0.00 C ATOM 1008 C LEU A 68 5.695 6.841 6.455 1.00 0.00 C ATOM 1009 O LEU A 68 5.242 7.397 7.456 1.00 0.00 O ATOM 1010 CB LEU A 68 4.653 6.419 4.220 1.00 0.00 C ATOM 1011 CG LEU A 68 4.102 5.431 3.191 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.608 4.026 3.477 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.581 5.461 3.184 1.00 0.00 C ATOM 0 H LEU A 68 2.747 5.989 5.723 1.00 0.00 H new ATOM 0 HA LEU A 68 5.354 4.917 5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.982 7.277 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.615 6.786 3.863 1.00 0.00 H new ATOM 0 HG LEU A 68 4.456 5.729 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.206 3.336 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.697 4.015 3.430 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.284 3.718 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.206 4.752 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.207 5.189 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.238 6.464 2.930 1.00 0.00 H new ATOM 1025 N THR A 69 6.936 7.036 6.019 1.00 0.00 N ATOM 1026 CA THR A 69 7.855 7.933 6.708 1.00 0.00 C ATOM 1027 C THR A 69 8.994 8.365 5.791 1.00 0.00 C ATOM 1028 O THR A 69 9.112 7.884 4.665 1.00 0.00 O ATOM 1029 CB THR A 69 8.448 7.272 7.967 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.324 6.203 7.593 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.345 6.738 8.868 1.00 0.00 C ATOM 0 H THR A 69 7.327 6.585 5.192 1.00 0.00 H new ATOM 0 HA THR A 69 7.278 8.809 7.004 1.00 0.00 H new ATOM 0 HB THR A 69 9.011 8.027 8.516 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.698 5.789 8.399 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.788 6.276 9.750 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.697 7.559 9.175 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.759 5.996 8.325 1.00 0.00 H new ATOM 1039 N GLY A 70 9.831 9.274 6.281 1.00 0.00 N ATOM 1040 CA GLY A 70 10.950 9.755 5.492 1.00 0.00 C ATOM 1041 C GLY A 70 10.520 10.279 4.136 1.00 0.00 C ATOM 1042 O GLY A 70 11.181 10.029 3.127 1.00 0.00 O ATOM 0 H GLY A 70 9.754 9.686 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.462 10.547 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.668 8.947 5.355 1.00 0.00 H new ATOM 1046 N LEU A 71 9.409 11.008 4.111 1.00 0.00 N ATOM 1047 CA LEU A 71 8.890 11.568 2.868 1.00 0.00 C ATOM 1048 C LEU A 71 9.075 13.082 2.834 1.00 0.00 C ATOM 1049 O LEU A 71 9.291 13.715 3.867 1.00 0.00 O ATOM 1050 CB LEU A 71 7.409 11.220 2.707 1.00 0.00 C ATOM 1051 CG LEU A 71 7.004 9.805 3.121 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.490 9.688 3.212 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.562 8.782 2.142 1.00 0.00 C ATOM 0 H LEU A 71 8.851 11.225 4.937 1.00 0.00 H new ATOM 0 HA LEU A 71 9.451 11.133 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.824 11.930 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.134 11.364 1.662 1.00 0.00 H new ATOM 0 HG LEU A 71 7.424 9.602 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.221 8.674 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.114 10.394 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.049 9.912 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.264 7.781 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.173 8.983 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.650 8.848 2.127 1.00 0.00 H new ATOM 1065 N LYS A 72 8.986 13.657 1.640 1.00 0.00 N ATOM 1066 CA LYS A 72 9.139 15.097 1.470 1.00 0.00 C ATOM 1067 C LYS A 72 7.782 15.794 1.484 1.00 0.00 C ATOM 1068 O LYS A 72 6.804 15.312 0.913 1.00 0.00 O ATOM 1069 CB LYS A 72 9.868 15.402 0.159 1.00 0.00 C ATOM 1070 CG LYS A 72 10.583 16.742 0.159 1.00 0.00 C ATOM 1071 CD LYS A 72 11.449 16.911 -1.078 1.00 0.00 C ATOM 1072 CE LYS A 72 10.683 17.585 -2.206 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.273 17.277 -3.539 1.00 0.00 N ATOM 0 H LYS A 72 8.808 13.147 0.775 1.00 0.00 H new ATOM 0 HA LYS A 72 9.730 15.475 2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.594 14.612 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.149 15.383 -0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.849 17.547 0.204 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.202 16.825 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.329 17.504 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.805 15.936 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.643 17.258 -2.185 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.681 18.664 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.723 17.755 -4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.257 17.611 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.251 16.250 -3.699 1.00 0.00 H new ATOM 1087 N PRO A 73 7.720 16.957 2.149 1.00 0.00 N ATOM 1088 CA PRO A 73 6.489 17.746 2.251 1.00 0.00 C ATOM 1089 C PRO A 73 6.091 18.374 0.920 1.00 0.00 C ATOM 1090 O PRO A 73 6.945 18.814 0.150 1.00 0.00 O ATOM 1091 CB PRO A 73 6.847 18.832 3.269 1.00 0.00 C ATOM 1092 CG PRO A 73 8.328 18.965 3.176 1.00 0.00 C ATOM 1093 CD PRO A 73 8.848 17.592 2.853 1.00 0.00 C ATOM 0 HA PRO A 73 5.636 17.134 2.543 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.350 19.773 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.537 18.549 4.275 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.608 19.680 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.747 19.330 4.114 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.739 17.637 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.120 17.043 3.754 1.00 0.00 H new ATOM 1101 N ASP A 74 4.790 18.413 0.655 1.00 0.00 N ATOM 1102 CA ASP A 74 4.279 18.989 -0.583 1.00 0.00 C ATOM 1103 C ASP A 74 4.800 18.222 -1.795 1.00 0.00 C ATOM 1104 O ASP A 74 5.260 18.818 -2.769 1.00 0.00 O ATOM 1105 CB ASP A 74 4.675 20.463 -0.687 1.00 0.00 C ATOM 1106 CG ASP A 74 4.009 21.160 -1.857 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.762 21.215 -1.884 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.735 21.652 -2.746 1.00 0.00 O ATOM 0 H ASP A 74 4.070 18.052 1.281 1.00 0.00 H new ATOM 0 HA ASP A 74 3.192 18.914 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.407 20.974 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.757 20.539 -0.791 1.00 0.00 H new ATOM 1113 N THR A 75 4.725 16.897 -1.727 1.00 0.00 N ATOM 1114 CA THR A 75 5.190 16.048 -2.817 1.00 0.00 C ATOM 1115 C THR A 75 4.321 14.804 -2.955 1.00 0.00 C ATOM 1116 O THR A 75 4.088 14.085 -1.983 1.00 0.00 O ATOM 1117 CB THR A 75 6.654 15.617 -2.607 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.511 16.764 -2.632 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.087 14.631 -3.681 1.00 0.00 C ATOM 0 H THR A 75 4.346 16.388 -0.928 1.00 0.00 H new ATOM 0 HA THR A 75 5.120 16.639 -3.730 1.00 0.00 H new ATOM 0 HB THR A 75 6.730 15.128 -1.636 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.936 16.835 -3.512 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.124 14.341 -3.512 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.452 13.746 -3.640 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.996 15.098 -4.662 1.00 0.00 H new ATOM 1127 N THR A 76 3.842 14.554 -4.170 1.00 0.00 N ATOM 1128 CA THR A 76 2.997 13.396 -4.435 1.00 0.00 C ATOM 1129 C THR A 76 3.772 12.097 -4.249 1.00 0.00 C ATOM 1130 O THR A 76 4.894 11.956 -4.737 1.00 0.00 O ATOM 1131 CB THR A 76 2.420 13.437 -5.863 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.776 14.695 -6.095 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.427 12.306 -6.077 1.00 0.00 C ATOM 0 H THR A 76 4.025 15.138 -4.986 1.00 0.00 H new ATOM 0 HA THR A 76 2.176 13.432 -3.719 1.00 0.00 H new ATOM 0 HB THR A 76 3.243 13.315 -6.568 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.413 14.714 -7.005 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.033 12.355 -7.092 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.928 11.349 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.608 12.402 -5.365 1.00 0.00 H new ATOM 1141 N TYR A 77 3.167 11.149 -3.543 1.00 0.00 N ATOM 1142 CA TYR A 77 3.801 9.860 -3.291 1.00 0.00 C ATOM 1143 C TYR A 77 2.875 8.712 -3.681 1.00 0.00 C ATOM 1144 O TYR A 77 1.888 8.436 -2.998 1.00 0.00 O ATOM 1145 CB TYR A 77 4.190 9.738 -1.817 1.00 0.00 C ATOM 1146 CG TYR A 77 5.525 10.368 -1.489 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.715 9.734 -1.825 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.597 11.596 -0.843 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.937 10.305 -1.527 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.814 12.175 -0.543 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.982 11.526 -0.886 1.00 0.00 C ATOM 1152 OH TYR A 77 9.197 12.099 -0.587 1.00 0.00 O ATOM 0 H TYR A 77 2.238 11.249 -3.135 1.00 0.00 H new ATOM 0 HA TYR A 77 4.701 9.801 -3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.417 10.205 -1.206 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.218 8.683 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.684 8.779 -2.328 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.685 12.107 -0.571 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.853 9.798 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.851 13.131 -0.042 1.00 0.00 H new ATOM 0 HH TYR A 77 9.268 12.968 -1.035 1.00 0.00 H new ATOM 1162 N ASP A 78 3.201 8.045 -4.783 1.00 0.00 N ATOM 1163 CA ASP A 78 2.401 6.925 -5.264 1.00 0.00 C ATOM 1164 C ASP A 78 2.430 5.770 -4.268 1.00 0.00 C ATOM 1165 O ASP A 78 3.375 4.980 -4.246 1.00 0.00 O ATOM 1166 CB ASP A 78 2.912 6.454 -6.626 1.00 0.00 C ATOM 1167 CG ASP A 78 2.302 5.131 -7.047 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.465 4.140 -6.305 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.662 5.088 -8.118 1.00 0.00 O ATOM 0 H ASP A 78 4.014 8.261 -5.360 1.00 0.00 H new ATOM 0 HA ASP A 78 1.371 7.264 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.686 7.211 -7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 78 3.997 6.355 -6.590 1.00 0.00 H new ATOM 1174 N ILE A 79 1.389 5.677 -3.447 1.00 0.00 N ATOM 1175 CA ILE A 79 1.296 4.619 -2.450 1.00 0.00 C ATOM 1176 C ILE A 79 0.218 3.606 -2.822 1.00 0.00 C ATOM 1177 O ILE A 79 -0.891 3.976 -3.208 1.00 0.00 O ATOM 1178 CB ILE A 79 0.988 5.187 -1.052 1.00 0.00 C ATOM 1179 CG1 ILE A 79 1.997 6.278 -0.688 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.003 4.076 -0.013 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.428 7.352 0.212 1.00 0.00 C ATOM 0 H ILE A 79 0.599 6.322 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 79 2.266 4.123 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.008 5.629 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.854 5.819 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.366 6.740 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.784 4.494 0.970 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.250 3.330 -0.267 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.987 3.607 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.199 8.091 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.589 7.838 -0.287 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.085 6.902 1.144 1.00 0.00 H new ATOM 1193 N LYS A 80 0.551 2.325 -2.703 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.388 1.257 -3.024 1.00 0.00 C ATOM 1195 C LYS A 80 -0.336 0.153 -1.973 1.00 0.00 C ATOM 1196 O LYS A 80 0.357 0.276 -0.963 1.00 0.00 O ATOM 1197 CB LYS A 80 -0.077 0.675 -4.405 1.00 0.00 C ATOM 1198 CG LYS A 80 1.408 0.613 -4.719 1.00 0.00 C ATOM 1199 CD LYS A 80 1.668 0.743 -6.211 1.00 0.00 C ATOM 1200 CE LYS A 80 1.351 -0.549 -6.947 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.916 -0.556 -8.325 1.00 0.00 N ATOM 0 H LYS A 80 1.465 2.001 -2.386 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.392 1.680 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.496 -0.329 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.576 1.277 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.927 1.411 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.818 -0.330 -4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.062 1.553 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.711 1.011 -6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.751 -1.394 -6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.270 -0.683 -6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.678 -1.454 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.515 0.235 -8.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.950 -0.454 -8.277 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.074 -0.925 -2.217 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.111 -2.052 -1.292 1.00 0.00 C ATOM 1217 C VAL A 81 -1.416 -3.354 -2.023 1.00 0.00 C ATOM 1218 O VAL A 81 -1.907 -3.343 -3.152 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.163 -1.838 -0.188 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.522 -2.354 -0.637 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.726 -2.515 1.103 1.00 0.00 C ATOM 0 H VAL A 81 -1.655 -1.042 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.124 -2.118 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.252 -0.768 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.252 -2.194 0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.837 -1.819 -1.533 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.452 -3.419 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.481 -2.354 1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.607 -3.585 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.777 -2.092 1.432 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.121 -4.475 -1.373 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.363 -5.786 -1.962 1.00 0.00 C ATOM 1233 C ARG A 82 -1.497 -6.853 -0.879 1.00 0.00 C ATOM 1234 O ARG A 82 -0.697 -6.907 0.055 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.229 -6.156 -2.919 1.00 0.00 C ATOM 1236 CG ARG A 82 1.154 -6.036 -2.300 1.00 0.00 C ATOM 1237 CD ARG A 82 2.132 -7.019 -2.925 1.00 0.00 C ATOM 1238 NE ARG A 82 2.031 -7.040 -4.381 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.026 -7.406 -5.182 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.190 -7.779 -4.669 1.00 0.00 N ATOM 1241 NH2 ARG A 82 2.857 -7.399 -6.498 1.00 0.00 N ATOM 0 H ARG A 82 -0.714 -4.501 -0.438 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.299 -5.739 -2.519 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.376 -7.179 -3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.282 -5.513 -3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.525 -5.019 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.090 -6.217 -1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.149 -6.752 -2.636 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.941 -8.018 -2.534 1.00 0.00 H new ATOM 0 HE ARG A 82 1.148 -6.758 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.323 -7.785 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.953 -8.060 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.963 -7.112 -6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.622 -7.680 -7.112 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.514 -7.698 -1.011 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.752 -8.763 -0.045 1.00 0.00 C ATOM 1257 C ALA A 83 -1.861 -9.969 -0.326 1.00 0.00 C ATOM 1258 O ALA A 83 -1.655 -10.344 -1.480 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.217 -9.173 -0.061 1.00 0.00 C ATOM 0 H ALA A 83 -3.186 -7.666 -1.777 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.503 -8.383 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.380 -9.969 0.665 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.838 -8.315 0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.484 -9.529 -1.056 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.334 -10.569 0.735 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.464 -11.732 0.602 1.00 0.00 C ATOM 1267 C TRP A 84 -1.106 -12.967 1.224 1.00 0.00 C ATOM 1268 O TRP A 84 -1.790 -12.877 2.244 1.00 0.00 O ATOM 1269 CB TRP A 84 0.890 -11.460 1.259 1.00 0.00 C ATOM 1270 CG TRP A 84 1.724 -10.464 0.511 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.410 -9.159 0.255 1.00 0.00 C ATOM 1272 CD2 TRP A 84 3.008 -10.692 -0.080 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.421 -8.563 -0.458 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.413 -9.482 -0.676 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.855 -11.801 -0.161 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.628 -9.353 -1.344 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 5.060 -11.670 -0.825 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.438 -10.454 -1.409 1.00 0.00 C ATOM 0 H TRP A 84 -1.494 -10.270 1.697 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.313 -11.921 -0.461 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.727 -11.097 2.274 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.441 -12.397 1.340 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.500 -8.668 0.568 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.432 -7.593 -0.774 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.573 -12.742 0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.921 -8.416 -1.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.722 -12.520 -0.895 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.387 -10.384 -1.920 1.00 0.00 H new ATOM 1289 N THR A 85 -0.882 -14.122 0.605 1.00 0.00 N ATOM 1290 CA THR A 85 -1.439 -15.375 1.098 1.00 0.00 C ATOM 1291 C THR A 85 -0.336 -16.356 1.476 1.00 0.00 C ATOM 1292 O THR A 85 0.797 -16.243 1.007 1.00 0.00 O ATOM 1293 CB THR A 85 -2.358 -16.031 0.051 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.673 -16.141 -1.202 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.634 -15.223 -0.132 1.00 0.00 C ATOM 0 H THR A 85 -0.318 -14.215 -0.240 1.00 0.00 H new ATOM 0 HA THR A 85 -2.025 -15.133 1.985 1.00 0.00 H new ATOM 0 HB THR A 85 -2.625 -17.026 0.407 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.672 -17.077 -1.493 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.267 -15.706 -0.876 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.168 -15.166 0.817 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.383 -14.217 -0.468 1.00 0.00 H new ATOM 1303 N SER A 86 -0.674 -17.320 2.326 1.00 0.00 N ATOM 1304 CA SER A 86 0.290 -18.321 2.770 1.00 0.00 C ATOM 1305 C SER A 86 1.121 -18.833 1.597 1.00 0.00 C ATOM 1306 O SER A 86 2.258 -19.271 1.771 1.00 0.00 O ATOM 1307 CB SER A 86 -0.430 -19.488 3.448 1.00 0.00 C ATOM 1308 OG SER A 86 -1.350 -19.024 4.420 1.00 0.00 O ATOM 0 H SER A 86 -1.608 -17.429 2.721 1.00 0.00 H new ATOM 0 HA SER A 86 0.960 -17.850 3.489 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.956 -20.080 2.699 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.300 -20.146 3.919 1.00 0.00 H new ATOM 0 HG SER A 86 -1.798 -19.789 4.838 1.00 0.00 H new ATOM 1314 N LYS A 87 0.544 -18.773 0.402 1.00 0.00 N ATOM 1315 CA LYS A 87 1.229 -19.229 -0.802 1.00 0.00 C ATOM 1316 C LYS A 87 2.238 -18.190 -1.280 1.00 0.00 C ATOM 1317 O LYS A 87 3.439 -18.452 -1.325 1.00 0.00 O ATOM 1318 CB LYS A 87 0.215 -19.518 -1.912 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.839 -20.540 -1.521 1.00 0.00 C ATOM 1320 CD LYS A 87 -0.404 -21.952 -1.875 1.00 0.00 C ATOM 1321 CE LYS A 87 -1.099 -22.985 -1.001 1.00 0.00 C ATOM 1322 NZ LYS A 87 -1.020 -24.352 -1.588 1.00 0.00 N ATOM 0 H LYS A 87 -0.397 -18.413 0.241 1.00 0.00 H new ATOM 0 HA LYS A 87 1.765 -20.147 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.279 -18.588 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.746 -19.875 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.031 -20.475 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.776 -20.309 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.628 -22.151 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.676 -22.041 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.644 -22.988 -0.011 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.144 -22.706 -0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.505 -25.027 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.477 -24.356 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.023 -24.629 -1.689 1.00 0.00 H new ATOM 1336 N GLY A 88 1.742 -17.008 -1.635 1.00 0.00 N ATOM 1337 CA GLY A 88 2.615 -15.948 -2.104 1.00 0.00 C ATOM 1338 C GLY A 88 1.915 -14.604 -2.162 1.00 0.00 C ATOM 1339 O GLY A 88 1.104 -14.281 -1.294 1.00 0.00 O ATOM 0 H GLY A 88 0.752 -16.766 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.480 -15.876 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.990 -16.202 -3.095 1.00 0.00 H new ATOM 1343 N SER A 89 2.230 -13.819 -3.187 1.00 0.00 N ATOM 1344 CA SER A 89 1.630 -12.500 -3.352 1.00 0.00 C ATOM 1345 C SER A 89 0.718 -12.468 -4.574 1.00 0.00 C ATOM 1346 O SER A 89 0.671 -13.419 -5.353 1.00 0.00 O ATOM 1347 CB SER A 89 2.719 -11.434 -3.485 1.00 0.00 C ATOM 1348 OG SER A 89 2.153 -10.142 -3.628 1.00 0.00 O ATOM 0 H SER A 89 2.897 -14.073 -3.916 1.00 0.00 H new ATOM 0 HA SER A 89 1.030 -12.287 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.364 -11.457 -2.607 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.347 -11.657 -4.347 1.00 0.00 H new ATOM 0 HG SER A 89 2.148 -9.890 -4.575 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.007 -11.364 -4.735 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.908 -11.227 -5.864 1.00 0.00 C ATOM 1356 C GLY A 90 -0.735 -9.906 -6.588 1.00 0.00 C ATOM 1357 O GLY A 90 0.378 -9.410 -6.759 1.00 0.00 O ATOM 0 H GLY A 90 0.014 -10.563 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.737 -12.046 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.937 -11.315 -5.516 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.857 -9.317 -7.027 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.850 -8.038 -7.744 1.00 0.00 C ATOM 1363 C PRO A 91 -1.472 -6.869 -6.841 1.00 0.00 C ATOM 1364 O PRO A 91 -1.212 -7.049 -5.651 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.295 -7.895 -8.228 1.00 0.00 C ATOM 1366 CG PRO A 91 -4.097 -8.704 -7.269 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.218 -9.852 -6.858 1.00 0.00 C ATOM 0 HA PRO A 91 -1.114 -8.025 -8.548 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.611 -6.852 -8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.409 -8.262 -9.248 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.389 -8.108 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -5.015 -9.063 -7.734 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.406 -10.153 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.385 -10.730 -7.482 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.444 -5.670 -7.414 1.00 0.00 N ATOM 1376 CA LEU A 92 -1.098 -4.470 -6.659 1.00 0.00 C ATOM 1377 C LEU A 92 -2.193 -3.415 -6.784 1.00 0.00 C ATOM 1378 O LEU A 92 -2.480 -2.930 -7.878 1.00 0.00 O ATOM 1379 CB LEU A 92 0.233 -3.901 -7.152 1.00 0.00 C ATOM 1380 CG LEU A 92 1.485 -4.398 -6.427 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.717 -4.207 -7.298 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.652 -3.677 -5.097 1.00 0.00 C ATOM 0 H LEU A 92 -1.656 -5.503 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.002 -4.745 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.335 -4.134 -8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.195 -2.815 -7.067 1.00 0.00 H new ATOM 0 HG LEU A 92 1.368 -5.463 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.598 -4.566 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.598 -4.769 -8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.839 -3.149 -7.529 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.547 -4.043 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.747 -2.606 -5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.781 -3.865 -4.469 1.00 0.00 H new ATOM 1394 N SER A 93 -2.799 -3.063 -5.654 1.00 0.00 N ATOM 1395 CA SER A 93 -3.863 -2.066 -5.637 1.00 0.00 C ATOM 1396 C SER A 93 -3.437 -0.804 -6.380 1.00 0.00 C ATOM 1397 O SER A 93 -2.252 -0.499 -6.509 1.00 0.00 O ATOM 1398 CB SER A 93 -4.243 -1.720 -4.196 1.00 0.00 C ATOM 1399 OG SER A 93 -3.395 -0.713 -3.673 1.00 0.00 O ATOM 0 H SER A 93 -2.571 -3.453 -4.739 1.00 0.00 H new ATOM 0 HA SER A 93 -4.731 -2.488 -6.143 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.279 -1.382 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.178 -2.613 -3.575 1.00 0.00 H new ATOM 0 HG SER A 93 -3.640 0.154 -4.059 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.428 -0.051 -6.881 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.182 1.192 -7.619 1.00 0.00 C ATOM 1407 C PRO A 94 -3.657 2.306 -6.721 1.00 0.00 C ATOM 1408 O PRO A 94 -4.346 2.754 -5.804 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.562 1.555 -8.172 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.526 0.912 -7.236 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.864 -0.353 -6.765 1.00 0.00 C ATOM 0 HA PRO A 94 -3.420 1.065 -8.388 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.703 2.635 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.691 1.185 -9.189 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.753 1.570 -6.397 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.470 0.696 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.142 -0.594 -5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.146 -1.207 -7.381 1.00 0.00 H new ATOM 1419 N SER A 95 -2.433 2.750 -6.989 1.00 0.00 N ATOM 1420 CA SER A 95 -1.814 3.810 -6.202 1.00 0.00 C ATOM 1421 C SER A 95 -2.766 4.992 -6.040 1.00 0.00 C ATOM 1422 O SER A 95 -3.625 5.232 -6.889 1.00 0.00 O ATOM 1423 CB SER A 95 -0.515 4.274 -6.863 1.00 0.00 C ATOM 1424 OG SER A 95 -0.558 4.076 -8.266 1.00 0.00 O ATOM 0 H SER A 95 -1.850 2.392 -7.746 1.00 0.00 H new ATOM 0 HA SER A 95 -1.587 3.410 -5.214 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.350 5.329 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.327 3.726 -6.441 1.00 0.00 H new ATOM 0 HG SER A 95 0.206 4.526 -8.683 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.606 5.726 -4.944 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.449 6.883 -4.671 1.00 0.00 C ATOM 1432 C ILE A 96 -2.680 8.184 -4.877 1.00 0.00 C ATOM 1433 O ILE A 96 -3.271 9.227 -5.158 1.00 0.00 O ATOM 1434 CB ILE A 96 -4.003 6.850 -3.234 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.908 6.428 -2.252 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.192 5.905 -3.147 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.370 6.388 -0.812 1.00 0.00 C ATOM 0 H ILE A 96 -1.901 5.540 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.281 6.840 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.339 7.852 -2.966 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.539 5.442 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.069 7.119 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.573 5.892 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.977 6.245 -3.823 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.879 4.900 -3.430 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.542 6.081 -0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.712 7.378 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.189 5.676 -0.712 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.361 8.114 -4.738 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.511 9.287 -4.910 1.00 0.00 C ATOM 1451 C GLN A 97 -0.834 10.351 -3.866 1.00 0.00 C ATOM 1452 O GLN A 97 -1.103 11.504 -4.202 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.684 9.866 -6.315 1.00 0.00 C ATOM 1454 CG GLN A 97 0.278 9.281 -7.336 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.311 9.233 -8.732 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.669 10.263 -9.304 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.413 8.032 -9.290 1.00 0.00 N ATOM 0 H GLN A 97 -0.857 7.258 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 97 0.525 8.976 -4.777 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.707 9.689 -6.649 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.544 10.946 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.191 9.876 -7.351 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.559 8.273 -7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.104 7.205 -8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.800 7.937 -10.229 1.00 0.00 H new ATOM 1466 N SER A 98 -0.805 9.955 -2.597 1.00 0.00 N ATOM 1467 CA SER A 98 -1.099 10.874 -1.503 1.00 0.00 C ATOM 1468 C SER A 98 0.056 11.848 -1.287 1.00 0.00 C ATOM 1469 O SER A 98 1.107 11.475 -0.767 1.00 0.00 O ATOM 1470 CB SER A 98 -1.372 10.096 -0.215 1.00 0.00 C ATOM 1471 OG SER A 98 -2.111 10.879 0.707 1.00 0.00 O ATOM 0 H SER A 98 -0.581 9.005 -2.301 1.00 0.00 H new ATOM 0 HA SER A 98 -1.988 11.445 -1.770 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.923 9.185 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.428 9.791 0.237 1.00 0.00 H new ATOM 0 HG SER A 98 -1.769 10.727 1.613 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.149 13.097 -1.691 1.00 0.00 N ATOM 1478 CA ARG A 99 0.874 14.125 -1.544 1.00 0.00 C ATOM 1479 C ARG A 99 0.923 14.642 -0.109 1.00 0.00 C ATOM 1480 O ARG A 99 -0.022 15.272 0.369 1.00 0.00 O ATOM 1481 CB ARG A 99 0.605 15.284 -2.506 1.00 0.00 C ATOM 1482 CG ARG A 99 1.494 16.494 -2.266 1.00 0.00 C ATOM 1483 CD ARG A 99 1.267 17.569 -3.317 1.00 0.00 C ATOM 1484 NE ARG A 99 2.152 17.404 -4.468 1.00 0.00 N ATOM 1485 CZ ARG A 99 1.883 17.887 -5.676 1.00 0.00 C ATOM 1486 NH1 ARG A 99 0.761 18.560 -5.890 1.00 0.00 N ATOM 1487 NH2 ARG A 99 2.738 17.696 -6.673 1.00 0.00 N ATOM 0 H ARG A 99 -1.014 13.422 -2.123 1.00 0.00 H new ATOM 0 HA ARG A 99 1.839 13.679 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.748 14.936 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.438 15.586 -2.414 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.294 16.903 -1.276 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.540 16.187 -2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.230 17.537 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.429 18.551 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 99 3.023 16.890 -4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.102 18.708 -5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 99 0.557 18.930 -6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.602 17.178 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.531 18.067 -7.600 1.00 0.00 H new ATOM 1501 N THR A 100 2.030 14.370 0.575 1.00 0.00 N ATOM 1502 CA THR A 100 2.202 14.806 1.955 1.00 0.00 C ATOM 1503 C THR A 100 1.711 16.236 2.146 1.00 0.00 C ATOM 1504 O THR A 100 1.651 17.013 1.194 1.00 0.00 O ATOM 1505 CB THR A 100 3.676 14.718 2.393 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.480 15.582 1.582 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.188 13.290 2.284 1.00 0.00 C ATOM 0 H THR A 100 2.821 13.850 0.195 1.00 0.00 H new ATOM 0 HA THR A 100 1.606 14.135 2.574 1.00 0.00 H new ATOM 0 HB THR A 100 3.743 15.032 3.435 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.198 15.063 1.163 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.231 13.252 2.599 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.592 12.640 2.925 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.108 12.953 1.251 1.00 0.00 H new ATOM 1515 N MET A 101 1.362 16.578 3.382 1.00 0.00 N ATOM 1516 CA MET A 101 0.879 17.917 3.697 1.00 0.00 C ATOM 1517 C MET A 101 1.988 18.950 3.525 1.00 0.00 C ATOM 1518 O MET A 101 3.142 18.723 3.891 1.00 0.00 O ATOM 1519 CB MET A 101 0.339 17.964 5.127 1.00 0.00 C ATOM 1520 CG MET A 101 1.387 18.342 6.161 1.00 0.00 C ATOM 1521 SD MET A 101 0.694 18.540 7.814 1.00 0.00 S ATOM 1522 CE MET A 101 -0.533 17.236 7.824 1.00 0.00 C ATOM 0 H MET A 101 1.405 15.946 4.182 1.00 0.00 H new ATOM 0 HA MET A 101 0.073 18.158 3.004 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.481 18.681 5.174 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.076 16.989 5.382 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.161 17.575 6.185 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.870 19.272 5.860 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.807 17.002 8.853 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.418 17.565 7.278 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.122 16.346 7.347 1.00 0.00 H new ATOM 1532 N PRO A 102 1.634 20.112 2.956 1.00 0.00 N ATOM 1533 CA PRO A 102 2.586 21.202 2.724 1.00 0.00 C ATOM 1534 C PRO A 102 3.038 21.863 4.022 1.00 0.00 C ATOM 1535 O PRO A 102 2.325 22.690 4.590 1.00 0.00 O ATOM 1536 CB PRO A 102 1.790 22.191 1.869 1.00 0.00 C ATOM 1537 CG PRO A 102 0.365 21.924 2.208 1.00 0.00 C ATOM 1538 CD PRO A 102 0.277 20.450 2.496 1.00 0.00 C ATOM 0 HA PRO A 102 3.503 20.849 2.251 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.065 23.221 2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.980 22.038 0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.053 22.510 3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.291 22.200 1.382 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.472 20.233 3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.001 19.882 1.607 1.00 0.00 H new ATOM 1546 N VAL A 103 4.228 21.493 4.486 1.00 0.00 N ATOM 1547 CA VAL A 103 4.776 22.052 5.716 1.00 0.00 C ATOM 1548 C VAL A 103 4.682 23.573 5.718 1.00 0.00 C ATOM 1549 O VAL A 103 4.325 24.182 6.727 1.00 0.00 O ATOM 1550 CB VAL A 103 6.247 21.639 5.913 1.00 0.00 C ATOM 1551 CG1 VAL A 103 7.086 22.066 4.718 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.798 22.231 7.201 1.00 0.00 C ATOM 0 H VAL A 103 4.830 20.809 4.029 1.00 0.00 H new ATOM 0 HA VAL A 103 4.181 21.653 6.538 1.00 0.00 H new ATOM 0 HB VAL A 103 6.295 20.553 5.990 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.122 21.766 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.703 21.590 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 103 7.035 23.149 4.606 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.838 21.929 7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.739 23.318 7.156 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.213 21.870 8.047 1.00 0.00 H new TER 1562 VAL A 103