USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 972 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 30 ASN : amide:sc= -3.02! X(o=-6.4!,f=-6.4) USER MOD Set 1.2: A 38 THR OG1 : rot 180:sc=-0.00945 USER MOD Set 1.3: A 41 SER OG : rot 160:sc= -0.497 USER MOD Set 1.4: A 53 HIS : no HE2:sc= -2.89! C(o=-6.4!,f=-6.4!) USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0.254 USER MOD Set 2.2: A 105 THR OG1 : rot -97:sc= 0.276 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.163 (180deg=-0.639) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0473 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0174) USER MOD Single : A 8 HIS : no HE2:sc= 0.092 K(o=0.092,f=-1.9!) USER MOD Single : A 11 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 21 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.35) USER MOD Single : A 25 CYS SG : rot -98:sc= -2.91! USER MOD Single : A 33 SER OG : rot -170:sc= 0.00298 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 54 HIS : no HD1:sc= -0.0565 K(o=-0.056,f=-0.77) USER MOD Single : A 55 MET CE :methyl -124:sc= -0.634 (180deg=-3.71!) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00516) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 44:sc= 1.21 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.895 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00703 USER MOD Single : A 77 THR OG1 : rot 16:sc= 0.581 USER MOD Single : A 80 SER OG : rot -98:sc= 1.07 USER MOD Single : A 83 MET CE :methyl -132:sc= -0.236 (180deg=-3.76!) USER MOD Single : A 92 GLN : amide:sc= 0.491 K(o=0.49,f=-0.53) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 82:sc= 0.788 USER MOD Single : A 103 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.81) USER MOD Single : A 113 THR OG1 : rot -25:sc= 0.237 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 117 GLN : amide:sc= 1.16 K(o=1.2,f=-8.2!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 122 GLN : amide:sc= -3.08! C(o=-3.1!,f=-4.6!) USER MOD Single : A 127 ASN : amide:sc= 0.174 K(o=0.17,f=-0.55) USER MOD Single : A 129 LYS NZ :NH3+ 158:sc= 0.712 (180deg=0.466) USER MOD Single : A 131 TYR OH : rot 180:sc= -0.754 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.528 18.379 3.114 1.00 0.00 N ATOM 2 CA MET A 1 5.238 17.609 4.338 1.00 0.00 C ATOM 3 C MET A 1 5.043 16.123 4.007 1.00 0.00 C ATOM 4 O MET A 1 4.662 15.764 2.886 1.00 0.00 O ATOM 5 CB MET A 1 3.971 18.159 5.050 1.00 0.00 C ATOM 6 CG MET A 1 2.655 17.959 4.284 1.00 0.00 C ATOM 7 SD MET A 1 1.207 18.546 5.195 1.00 0.00 S ATOM 8 CE MET A 1 1.270 17.562 6.698 1.00 0.00 C ATOM 0 H1 MET A 1 5.053 19.303 3.165 1.00 0.00 H new ATOM 0 H2 MET A 1 6.555 18.521 3.028 1.00 0.00 H new ATOM 0 H3 MET A 1 5.181 17.856 2.285 1.00 0.00 H new ATOM 0 HA MET A 1 6.090 17.714 5.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.883 17.678 6.024 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.109 19.225 5.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.714 18.483 3.330 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.530 16.900 4.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.296 17.582 7.187 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.530 16.533 6.449 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.023 17.973 7.371 1.00 0.00 H new ATOM 20 N LYS A 2 5.327 15.273 4.999 1.00 0.00 N ATOM 21 CA LYS A 2 5.036 13.830 4.958 1.00 0.00 C ATOM 22 C LYS A 2 4.105 13.462 6.116 1.00 0.00 C ATOM 23 O LYS A 2 4.064 14.152 7.137 1.00 0.00 O ATOM 24 CB LYS A 2 6.337 12.986 5.047 1.00 0.00 C ATOM 25 CG LYS A 2 7.243 13.053 3.802 1.00 0.00 C ATOM 26 CD LYS A 2 8.483 12.131 3.913 1.00 0.00 C ATOM 27 CE LYS A 2 9.426 12.518 5.064 1.00 0.00 C ATOM 28 NZ LYS A 2 10.048 13.847 4.851 1.00 0.00 N ATOM 0 H LYS A 2 5.772 15.569 5.868 1.00 0.00 H new ATOM 0 HA LYS A 2 4.553 13.608 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.910 13.319 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.066 11.945 5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.665 12.772 2.922 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.572 14.081 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 2 8.151 11.102 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.035 12.161 2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.870 12.524 6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.207 11.764 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 10.714 14.046 5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 10.558 13.850 3.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.308 14.578 4.834 1.00 0.00 H new ATOM 42 N ILE A 3 3.349 12.374 5.944 1.00 0.00 N ATOM 43 CA ILE A 3 2.478 11.816 6.984 1.00 0.00 C ATOM 44 C ILE A 3 2.901 10.371 7.269 1.00 0.00 C ATOM 45 O ILE A 3 3.138 9.594 6.336 1.00 0.00 O ATOM 46 CB ILE A 3 0.971 11.848 6.542 1.00 0.00 C ATOM 47 CG1 ILE A 3 0.515 13.307 6.206 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.056 11.205 7.617 1.00 0.00 C ATOM 49 CD1 ILE A 3 -0.884 13.406 5.642 1.00 0.00 C ATOM 0 H ILE A 3 3.324 11.850 5.069 1.00 0.00 H new ATOM 0 HA ILE A 3 2.578 12.423 7.884 1.00 0.00 H new ATOM 0 HB ILE A 3 0.878 11.253 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.573 13.911 7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.214 13.738 5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.981 11.242 7.282 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.350 10.167 7.772 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.154 11.753 8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.121 14.450 5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.945 12.832 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.597 13.008 6.364 1.00 0.00 H new ATOM 61 N SER A 4 2.992 10.027 8.560 1.00 0.00 N ATOM 62 CA SER A 4 3.310 8.674 9.017 1.00 0.00 C ATOM 63 C SER A 4 2.037 8.002 9.563 1.00 0.00 C ATOM 64 O SER A 4 1.310 8.599 10.363 1.00 0.00 O ATOM 65 CB SER A 4 4.405 8.742 10.092 1.00 0.00 C ATOM 66 OG SER A 4 5.569 9.390 9.600 1.00 0.00 O ATOM 0 H SER A 4 2.845 10.689 9.322 1.00 0.00 H new ATOM 0 HA SER A 4 3.682 8.077 8.184 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.029 9.277 10.964 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.658 7.734 10.421 1.00 0.00 H new ATOM 0 HG SER A 4 6.249 9.421 10.305 1.00 0.00 H new ATOM 72 N ILE A 5 1.749 6.790 9.064 1.00 0.00 N ATOM 73 CA ILE A 5 0.630 5.939 9.513 1.00 0.00 C ATOM 74 C ILE A 5 1.174 4.544 9.897 1.00 0.00 C ATOM 75 O ILE A 5 2.287 4.171 9.491 1.00 0.00 O ATOM 76 CB ILE A 5 -0.464 5.792 8.383 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.147 5.117 7.110 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.108 7.160 8.041 1.00 0.00 C ATOM 79 CD1 ILE A 5 -0.833 4.817 5.997 1.00 0.00 C ATOM 0 H ILE A 5 2.299 6.362 8.319 1.00 0.00 H new ATOM 0 HA ILE A 5 0.162 6.409 10.378 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.256 5.146 8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.929 5.766 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.626 4.185 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.856 7.025 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.583 7.571 8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.338 7.847 7.690 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.306 4.351 5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.604 4.139 6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.296 5.744 5.660 1.00 0.00 H new ATOM 91 N GLU A 6 0.388 3.779 10.682 1.00 0.00 N ATOM 92 CA GLU A 6 0.735 2.392 11.056 1.00 0.00 C ATOM 93 C GLU A 6 -0.506 1.567 11.448 1.00 0.00 C ATOM 94 O GLU A 6 -1.560 2.123 11.777 1.00 0.00 O ATOM 95 CB GLU A 6 1.842 2.347 12.169 1.00 0.00 C ATOM 96 CG GLU A 6 1.719 3.363 13.336 1.00 0.00 C ATOM 97 CD GLU A 6 0.473 3.179 14.210 1.00 0.00 C ATOM 98 OE1 GLU A 6 0.370 2.126 14.896 1.00 0.00 O ATOM 99 OE2 GLU A 6 -0.419 4.059 14.193 1.00 0.00 O ATOM 0 H GLU A 6 -0.498 4.101 11.072 1.00 0.00 H new ATOM 0 HA GLU A 6 1.155 1.923 10.166 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.852 1.344 12.595 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.809 2.499 11.690 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.605 3.282 13.966 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.712 4.372 12.924 1.00 0.00 H new ATOM 106 N ALA A 7 -0.341 0.231 11.427 1.00 0.00 N ATOM 107 CA ALA A 7 -1.403 -0.738 11.760 1.00 0.00 C ATOM 108 C ALA A 7 -0.783 -2.046 12.286 1.00 0.00 C ATOM 109 O ALA A 7 0.263 -2.475 11.797 1.00 0.00 O ATOM 110 CB ALA A 7 -2.295 -1.022 10.531 1.00 0.00 C ATOM 0 H ALA A 7 0.543 -0.211 11.176 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.029 -0.306 12.541 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.070 -1.739 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.760 -0.094 10.196 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.686 -1.433 9.726 1.00 0.00 H new ATOM 116 N HIS A 8 -1.432 -2.666 13.284 1.00 0.00 N ATOM 117 CA HIS A 8 -1.082 -4.012 13.770 1.00 0.00 C ATOM 118 C HIS A 8 -1.999 -5.013 13.071 1.00 0.00 C ATOM 119 O HIS A 8 -3.211 -4.965 13.265 1.00 0.00 O ATOM 120 CB HIS A 8 -1.263 -4.133 15.313 1.00 0.00 C ATOM 121 CG HIS A 8 -1.185 -5.558 15.850 1.00 0.00 C ATOM 122 ND1 HIS A 8 -0.011 -6.263 15.930 1.00 0.00 N ATOM 123 CD2 HIS A 8 -2.157 -6.411 16.287 1.00 0.00 C ATOM 124 CE1 HIS A 8 -0.252 -7.479 16.386 1.00 0.00 C ATOM 125 NE2 HIS A 8 -1.546 -7.596 16.611 1.00 0.00 N ATOM 0 H HIS A 8 -2.219 -2.246 13.780 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.034 -4.210 13.547 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.498 -3.531 15.804 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -2.228 -3.707 15.587 1.00 0.00 H new ATOM 0 HD1 HIS A 8 0.909 -5.903 15.676 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -3.212 -6.193 16.364 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.488 -8.249 16.548 1.00 0.00 H new ATOM 134 N ILE A 9 -1.429 -5.888 12.243 1.00 0.00 N ATOM 135 CA ILE A 9 -2.153 -7.024 11.672 1.00 0.00 C ATOM 136 C ILE A 9 -1.754 -8.262 12.473 1.00 0.00 C ATOM 137 O ILE A 9 -0.557 -8.543 12.594 1.00 0.00 O ATOM 138 CB ILE A 9 -1.806 -7.229 10.145 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.936 -5.872 9.363 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.707 -8.330 9.517 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.595 -5.942 7.885 1.00 0.00 C ATOM 0 H ILE A 9 -0.454 -5.830 11.949 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.226 -6.844 11.729 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.771 -7.564 10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.958 -5.508 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.286 -5.135 9.835 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.450 -8.454 8.465 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.550 -9.272 10.042 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.753 -8.037 9.603 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.716 -4.956 7.437 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.563 -6.271 7.765 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.261 -6.649 7.391 1.00 0.00 H new ATOM 153 N GLU A 10 -2.734 -8.980 13.042 1.00 0.00 N ATOM 154 CA GLU A 10 -2.485 -10.244 13.734 1.00 0.00 C ATOM 155 C GLU A 10 -2.273 -11.314 12.649 1.00 0.00 C ATOM 156 O GLU A 10 -3.215 -11.999 12.248 1.00 0.00 O ATOM 157 CB GLU A 10 -3.674 -10.585 14.691 1.00 0.00 C ATOM 158 CG GLU A 10 -3.368 -11.603 15.811 1.00 0.00 C ATOM 159 CD GLU A 10 -2.967 -13.014 15.318 1.00 0.00 C ATOM 160 OE1 GLU A 10 -3.855 -13.775 14.876 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.758 -13.348 15.348 1.00 0.00 O ATOM 0 H GLU A 10 -3.714 -8.699 13.033 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.599 -10.189 14.367 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.021 -9.660 15.152 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.498 -10.971 14.091 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.563 -11.208 16.431 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.247 -11.693 16.450 1.00 0.00 H new ATOM 168 N GLN A 11 -1.038 -11.354 12.135 1.00 0.00 N ATOM 169 CA GLN A 11 -0.620 -12.267 11.073 1.00 0.00 C ATOM 170 C GLN A 11 0.902 -12.164 10.909 1.00 0.00 C ATOM 171 O GLN A 11 1.467 -11.091 11.130 1.00 0.00 O ATOM 172 CB GLN A 11 -1.369 -11.940 9.738 1.00 0.00 C ATOM 173 CG GLN A 11 -1.165 -12.959 8.613 1.00 0.00 C ATOM 174 CD GLN A 11 -1.529 -14.397 9.007 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.679 -15.167 9.450 1.00 0.00 O ATOM 176 NE2 GLN A 11 -2.791 -14.761 8.872 1.00 0.00 N ATOM 0 H GLN A 11 -0.289 -10.739 12.454 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.879 -13.292 11.338 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.436 -11.862 9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.041 -10.962 9.385 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.768 -12.664 7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.123 -12.932 8.295 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.475 -14.101 8.502 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.082 -15.702 9.138 1.00 0.00 H new ATOM 185 N GLU A 12 1.553 -13.283 10.528 1.00 0.00 N ATOM 186 CA GLU A 12 3.015 -13.351 10.340 1.00 0.00 C ATOM 187 C GLU A 12 3.433 -12.494 9.148 1.00 0.00 C ATOM 188 O GLU A 12 2.689 -12.392 8.183 1.00 0.00 O ATOM 189 CB GLU A 12 3.492 -14.817 10.130 1.00 0.00 C ATOM 190 CG GLU A 12 3.458 -15.695 11.401 1.00 0.00 C ATOM 191 CD GLU A 12 2.069 -15.860 12.036 1.00 0.00 C ATOM 192 OE1 GLU A 12 1.161 -16.358 11.348 1.00 0.00 O ATOM 193 OE2 GLU A 12 1.878 -15.506 13.227 1.00 0.00 O ATOM 0 H GLU A 12 1.077 -14.166 10.342 1.00 0.00 H new ATOM 0 HA GLU A 12 3.486 -12.967 11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.868 -15.282 9.367 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.511 -14.801 9.743 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.848 -16.682 11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.131 -15.263 12.142 1.00 0.00 H new ATOM 200 N ILE A 13 4.642 -11.914 9.225 1.00 0.00 N ATOM 201 CA ILE A 13 5.151 -10.946 8.237 1.00 0.00 C ATOM 202 C ILE A 13 5.253 -11.550 6.827 1.00 0.00 C ATOM 203 O ILE A 13 5.084 -10.845 5.839 1.00 0.00 O ATOM 204 CB ILE A 13 6.537 -10.379 8.697 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.944 -9.141 7.838 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.640 -11.475 8.673 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.208 -8.456 8.287 1.00 0.00 C ATOM 0 H ILE A 13 5.300 -12.105 9.981 1.00 0.00 H new ATOM 0 HA ILE A 13 4.431 -10.129 8.181 1.00 0.00 H new ATOM 0 HB ILE A 13 6.434 -10.050 9.731 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.066 -9.458 6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.128 -8.418 7.856 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.587 -11.045 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.361 -12.287 9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.746 -11.862 7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.414 -7.608 7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.087 -8.104 9.311 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.039 -9.160 8.241 1.00 0.00 H new ATOM 219 N GLU A 14 5.505 -12.868 6.765 1.00 0.00 N ATOM 220 CA GLU A 14 5.582 -13.606 5.503 1.00 0.00 C ATOM 221 C GLU A 14 4.187 -13.686 4.868 1.00 0.00 C ATOM 222 O GLU A 14 4.030 -13.451 3.684 1.00 0.00 O ATOM 223 CB GLU A 14 6.153 -15.024 5.746 1.00 0.00 C ATOM 224 CG GLU A 14 7.504 -15.044 6.482 1.00 0.00 C ATOM 225 CD GLU A 14 8.030 -16.472 6.694 1.00 0.00 C ATOM 226 OE1 GLU A 14 7.602 -17.136 7.662 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.850 -16.945 5.879 1.00 0.00 O ATOM 0 H GLU A 14 5.660 -13.447 7.590 1.00 0.00 H new ATOM 0 HA GLU A 14 6.251 -13.082 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.430 -15.601 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.268 -15.526 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.235 -14.471 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.396 -14.551 7.448 1.00 0.00 H new ATOM 234 N ALA A 15 3.181 -13.996 5.701 1.00 0.00 N ATOM 235 CA ALA A 15 1.768 -14.103 5.279 1.00 0.00 C ATOM 236 C ALA A 15 1.176 -12.742 4.865 1.00 0.00 C ATOM 237 O ALA A 15 0.390 -12.652 3.913 1.00 0.00 O ATOM 238 CB ALA A 15 0.954 -14.749 6.396 1.00 0.00 C ATOM 0 H ALA A 15 3.322 -14.181 6.694 1.00 0.00 H new ATOM 0 HA ALA A 15 1.723 -14.734 4.391 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.088 -14.829 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.348 -15.744 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.020 -14.137 7.295 1.00 0.00 H new ATOM 244 N VAL A 16 1.571 -11.701 5.605 1.00 0.00 N ATOM 245 CA VAL A 16 1.236 -10.299 5.287 1.00 0.00 C ATOM 246 C VAL A 16 1.887 -9.916 3.943 1.00 0.00 C ATOM 247 O VAL A 16 1.250 -9.298 3.093 1.00 0.00 O ATOM 248 CB VAL A 16 1.712 -9.322 6.443 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.561 -7.821 6.068 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.969 -9.629 7.771 1.00 0.00 C ATOM 0 H VAL A 16 2.136 -11.803 6.448 1.00 0.00 H new ATOM 0 HA VAL A 16 0.154 -10.201 5.205 1.00 0.00 H new ATOM 0 HB VAL A 16 2.777 -9.507 6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.903 -7.202 6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.160 -7.605 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.514 -7.602 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.313 -8.946 8.547 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.104 -9.502 7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.175 -10.656 8.074 1.00 0.00 H new ATOM 260 N TRP A 17 3.151 -10.354 3.754 1.00 0.00 N ATOM 261 CA TRP A 17 3.926 -10.079 2.530 1.00 0.00 C ATOM 262 C TRP A 17 3.351 -10.821 1.317 1.00 0.00 C ATOM 263 O TRP A 17 3.396 -10.285 0.218 1.00 0.00 O ATOM 264 CB TRP A 17 5.418 -10.438 2.724 1.00 0.00 C ATOM 265 CG TRP A 17 6.298 -10.139 1.522 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.849 -11.044 0.648 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.718 -8.840 1.063 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.570 -10.392 -0.315 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.506 -9.041 -0.085 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.502 -7.532 1.511 1.00 0.00 C ATOM 271 CZ2 TRP A 17 8.079 -7.988 -0.790 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.073 -6.488 0.811 1.00 0.00 C ATOM 273 CH2 TRP A 17 7.851 -6.719 -0.331 1.00 0.00 C ATOM 0 H TRP A 17 3.659 -10.906 4.445 1.00 0.00 H new ATOM 0 HA TRP A 17 3.850 -9.009 2.335 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.802 -9.890 3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.496 -11.499 2.961 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.730 -12.116 0.712 1.00 0.00 H new ATOM 0 HE1 TRP A 17 8.074 -10.839 -1.081 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.900 -7.343 2.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.682 -8.165 -1.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.917 -5.475 1.150 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.279 -5.880 -0.859 1.00 0.00 H new ATOM 284 N TRP A 18 2.818 -12.050 1.512 1.00 0.00 N ATOM 285 CA TRP A 18 2.159 -12.803 0.417 1.00 0.00 C ATOM 286 C TRP A 18 0.982 -11.982 -0.094 1.00 0.00 C ATOM 287 O TRP A 18 0.891 -11.675 -1.264 1.00 0.00 O ATOM 288 CB TRP A 18 1.616 -14.184 0.847 1.00 0.00 C ATOM 289 CG TRP A 18 2.611 -15.156 1.419 1.00 0.00 C ATOM 290 CD1 TRP A 18 3.953 -15.261 1.165 1.00 0.00 C ATOM 291 CD2 TRP A 18 2.290 -16.208 2.331 1.00 0.00 C ATOM 292 NE1 TRP A 18 4.489 -16.279 1.923 1.00 0.00 N ATOM 293 CE2 TRP A 18 3.481 -16.886 2.635 1.00 0.00 C ATOM 294 CE3 TRP A 18 1.097 -16.621 2.927 1.00 0.00 C ATOM 295 CZ2 TRP A 18 3.515 -17.961 3.522 1.00 0.00 C ATOM 296 CZ3 TRP A 18 1.126 -17.689 3.803 1.00 0.00 C ATOM 297 CH2 TRP A 18 2.330 -18.349 4.095 1.00 0.00 C ATOM 0 H TRP A 18 2.830 -12.538 2.408 1.00 0.00 H new ATOM 0 HA TRP A 18 2.920 -12.974 -0.345 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.832 -14.025 1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.146 -14.649 -0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.506 -14.640 0.476 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.475 -16.540 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.169 -16.115 2.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.440 -18.470 3.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.210 -18.021 4.269 1.00 0.00 H new ATOM 0 HH2 TRP A 18 2.324 -19.180 4.785 1.00 0.00 H new ATOM 308 N ALA A 19 0.126 -11.594 0.844 1.00 0.00 N ATOM 309 CA ALA A 19 -1.074 -10.814 0.563 1.00 0.00 C ATOM 310 C ALA A 19 -0.736 -9.406 -0.009 1.00 0.00 C ATOM 311 O ALA A 19 -1.541 -8.813 -0.733 1.00 0.00 O ATOM 312 CB ALA A 19 -1.913 -10.736 1.844 1.00 0.00 C ATOM 0 H ALA A 19 0.247 -11.815 1.833 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.654 -11.309 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.816 -10.156 1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.189 -11.742 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.332 -10.255 2.631 1.00 0.00 H new ATOM 318 N TRP A 20 0.464 -8.882 0.330 1.00 0.00 N ATOM 319 CA TRP A 20 0.916 -7.541 -0.113 1.00 0.00 C ATOM 320 C TRP A 20 1.623 -7.595 -1.490 1.00 0.00 C ATOM 321 O TRP A 20 1.589 -6.614 -2.232 1.00 0.00 O ATOM 322 CB TRP A 20 1.857 -6.911 0.959 1.00 0.00 C ATOM 323 CG TRP A 20 2.235 -5.459 0.696 1.00 0.00 C ATOM 324 CD1 TRP A 20 3.306 -4.997 -0.030 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.548 -4.282 1.167 1.00 0.00 C ATOM 326 NE1 TRP A 20 3.304 -3.624 -0.048 1.00 0.00 N ATOM 327 CE2 TRP A 20 2.243 -3.165 0.677 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.412 -4.070 1.947 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.837 -1.856 0.942 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.009 -2.775 2.216 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.720 -1.680 1.714 1.00 0.00 C ATOM 0 H TRP A 20 1.142 -9.371 0.914 1.00 0.00 H new ATOM 0 HA TRP A 20 0.032 -6.914 -0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.371 -6.976 1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.769 -7.505 1.017 1.00 0.00 H new ATOM 0 HD1 TRP A 20 4.041 -5.622 -0.515 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.988 -3.039 -0.528 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.147 -4.908 2.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.385 -1.011 0.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.868 -2.606 2.823 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.382 -0.679 1.939 1.00 0.00 H new ATOM 342 N ASN A 21 2.281 -8.730 -1.822 1.00 0.00 N ATOM 343 CA ASN A 21 3.139 -8.831 -3.043 1.00 0.00 C ATOM 344 C ASN A 21 2.442 -9.597 -4.185 1.00 0.00 C ATOM 345 O ASN A 21 2.774 -9.408 -5.357 1.00 0.00 O ATOM 346 CB ASN A 21 4.537 -9.469 -2.730 1.00 0.00 C ATOM 347 CG ASN A 21 4.617 -11.007 -2.730 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.603 -11.580 -3.173 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.616 -11.685 -2.212 1.00 0.00 N ATOM 0 H ASN A 21 2.240 -9.587 -1.271 1.00 0.00 H new ATOM 0 HA ASN A 21 3.303 -7.807 -3.380 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.253 -9.092 -3.460 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.861 -9.112 -1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.655 -12.704 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.801 -11.192 -1.847 1.00 0.00 H new ATOM 356 N ASP A 22 1.482 -10.461 -3.827 1.00 0.00 N ATOM 357 CA ASP A 22 0.763 -11.332 -4.781 1.00 0.00 C ATOM 358 C ASP A 22 -0.151 -10.483 -5.685 1.00 0.00 C ATOM 359 O ASP A 22 -1.053 -9.855 -5.159 1.00 0.00 O ATOM 360 CB ASP A 22 -0.074 -12.386 -4.004 1.00 0.00 C ATOM 361 CG ASP A 22 -0.822 -13.379 -4.899 1.00 0.00 C ATOM 362 OD1 ASP A 22 -1.917 -13.044 -5.399 1.00 0.00 O ATOM 363 OD2 ASP A 22 -0.314 -14.500 -5.113 1.00 0.00 O ATOM 0 H ASP A 22 1.177 -10.580 -2.861 1.00 0.00 H new ATOM 0 HA ASP A 22 1.488 -11.851 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.588 -12.941 -3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.796 -11.867 -3.374 1.00 0.00 H new ATOM 368 N PRO A 23 0.060 -10.471 -7.046 1.00 0.00 N ATOM 369 CA PRO A 23 -0.699 -9.599 -7.985 1.00 0.00 C ATOM 370 C PRO A 23 -2.248 -9.747 -7.905 1.00 0.00 C ATOM 371 O PRO A 23 -2.973 -8.762 -8.099 1.00 0.00 O ATOM 372 CB PRO A 23 -0.157 -10.016 -9.382 1.00 0.00 C ATOM 373 CG PRO A 23 0.530 -11.330 -9.175 1.00 0.00 C ATOM 374 CD PRO A 23 1.079 -11.276 -7.776 1.00 0.00 C ATOM 0 HA PRO A 23 -0.548 -8.547 -7.745 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.968 -10.108 -10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.535 -9.270 -9.772 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.166 -12.160 -9.292 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.327 -11.476 -9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.189 -12.272 -7.347 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.062 -10.806 -7.746 1.00 0.00 H new ATOM 382 N ASP A 24 -2.737 -10.968 -7.612 1.00 0.00 N ATOM 383 CA ASP A 24 -4.190 -11.250 -7.496 1.00 0.00 C ATOM 384 C ASP A 24 -4.761 -10.651 -6.208 1.00 0.00 C ATOM 385 O ASP A 24 -5.863 -10.095 -6.205 1.00 0.00 O ATOM 386 CB ASP A 24 -4.466 -12.777 -7.547 1.00 0.00 C ATOM 387 CG ASP A 24 -4.091 -13.412 -8.898 1.00 0.00 C ATOM 388 OD1 ASP A 24 -2.898 -13.723 -9.104 1.00 0.00 O ATOM 389 OD2 ASP A 24 -4.976 -13.568 -9.774 1.00 0.00 O ATOM 0 H ASP A 24 -2.146 -11.783 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.688 -10.782 -8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.905 -13.269 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.523 -12.956 -7.349 1.00 0.00 H new ATOM 394 N CYS A 25 -3.993 -10.772 -5.117 1.00 0.00 N ATOM 395 CA CYS A 25 -4.381 -10.227 -3.807 1.00 0.00 C ATOM 396 C CYS A 25 -4.294 -8.686 -3.812 1.00 0.00 C ATOM 397 O CYS A 25 -5.132 -8.008 -3.227 1.00 0.00 O ATOM 398 CB CYS A 25 -3.494 -10.822 -2.700 1.00 0.00 C ATOM 399 SG CYS A 25 -3.977 -10.310 -1.042 1.00 0.00 S ATOM 0 H CYS A 25 -3.090 -11.247 -5.116 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.416 -10.505 -3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.530 -11.910 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.459 -10.527 -2.876 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.226 -9.321 -0.657 1.00 0.00 H new ATOM 405 N ILE A 26 -3.240 -8.163 -4.464 1.00 0.00 N ATOM 406 CA ILE A 26 -3.035 -6.723 -4.760 1.00 0.00 C ATOM 407 C ILE A 26 -4.229 -6.126 -5.527 1.00 0.00 C ATOM 408 O ILE A 26 -4.654 -4.998 -5.254 1.00 0.00 O ATOM 409 CB ILE A 26 -1.691 -6.534 -5.578 1.00 0.00 C ATOM 410 CG1 ILE A 26 -0.449 -6.753 -4.653 1.00 0.00 C ATOM 411 CG2 ILE A 26 -1.619 -5.171 -6.299 1.00 0.00 C ATOM 412 CD1 ILE A 26 0.898 -6.511 -5.315 1.00 0.00 C ATOM 0 H ILE A 26 -2.479 -8.746 -4.813 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.959 -6.186 -3.815 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.682 -7.294 -6.359 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.537 -6.092 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.472 -7.775 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.677 -5.096 -6.843 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.450 -5.085 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.678 -4.367 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.695 -6.688 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.016 -7.190 -6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.950 -5.481 -5.667 1.00 0.00 H new ATOM 424 N ALA A 27 -4.772 -6.910 -6.466 1.00 0.00 N ATOM 425 CA ALA A 27 -5.936 -6.514 -7.279 1.00 0.00 C ATOM 426 C ALA A 27 -7.259 -6.530 -6.463 1.00 0.00 C ATOM 427 O ALA A 27 -8.341 -6.311 -7.015 1.00 0.00 O ATOM 428 CB ALA A 27 -6.013 -7.410 -8.526 1.00 0.00 C ATOM 0 H ALA A 27 -4.418 -7.841 -6.687 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.802 -5.480 -7.597 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.873 -7.120 -9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.102 -7.295 -9.113 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.119 -8.451 -8.220 1.00 0.00 H new ATOM 434 N ARG A 28 -7.156 -6.811 -5.147 1.00 0.00 N ATOM 435 CA ARG A 28 -8.283 -6.750 -4.199 1.00 0.00 C ATOM 436 C ARG A 28 -8.214 -5.465 -3.347 1.00 0.00 C ATOM 437 O ARG A 28 -9.255 -4.866 -3.041 1.00 0.00 O ATOM 438 CB ARG A 28 -8.269 -7.997 -3.272 1.00 0.00 C ATOM 439 CG ARG A 28 -8.250 -9.349 -4.015 1.00 0.00 C ATOM 440 CD ARG A 28 -9.521 -9.607 -4.826 1.00 0.00 C ATOM 441 NE ARG A 28 -9.417 -10.842 -5.613 1.00 0.00 N ATOM 442 CZ ARG A 28 -10.233 -11.196 -6.613 1.00 0.00 C ATOM 443 NH1 ARG A 28 -11.255 -10.428 -6.974 1.00 0.00 N ATOM 444 NH2 ARG A 28 -9.996 -12.318 -7.270 1.00 0.00 N ATOM 0 H ARG A 28 -6.277 -7.089 -4.710 1.00 0.00 H new ATOM 0 HA ARG A 28 -9.210 -6.737 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.395 -7.941 -2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.147 -7.964 -2.627 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.389 -9.378 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.119 -10.153 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.376 -9.674 -4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.706 -8.764 -5.492 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.660 -11.484 -5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.430 -9.549 -6.486 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.865 -10.717 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.200 -12.901 -7.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.609 -12.601 -8.034 1.00 0.00 H new ATOM 458 N TRP A 29 -6.982 -5.051 -2.945 1.00 0.00 N ATOM 459 CA TRP A 29 -6.781 -3.870 -2.065 1.00 0.00 C ATOM 460 C TRP A 29 -6.154 -2.681 -2.824 1.00 0.00 C ATOM 461 O TRP A 29 -5.189 -2.837 -3.579 1.00 0.00 O ATOM 462 CB TRP A 29 -5.941 -4.228 -0.792 1.00 0.00 C ATOM 463 CG TRP A 29 -4.548 -4.767 -1.046 1.00 0.00 C ATOM 464 CD1 TRP A 29 -4.191 -6.077 -1.155 1.00 0.00 C ATOM 465 CD2 TRP A 29 -3.328 -4.011 -1.187 1.00 0.00 C ATOM 466 NE1 TRP A 29 -2.845 -6.183 -1.389 1.00 0.00 N ATOM 467 CE2 TRP A 29 -2.295 -4.934 -1.413 1.00 0.00 C ATOM 468 CE3 TRP A 29 -3.014 -2.645 -1.161 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -0.982 -4.545 -1.612 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -1.701 -2.261 -1.354 1.00 0.00 C ATOM 471 CH2 TRP A 29 -0.698 -3.210 -1.579 1.00 0.00 C ATOM 0 H TRP A 29 -6.116 -5.517 -3.216 1.00 0.00 H new ATOM 0 HA TRP A 29 -7.772 -3.560 -1.732 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.856 -3.334 -0.174 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.494 -4.966 -0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.871 -6.912 -1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.335 -7.056 -1.524 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.784 -1.907 -0.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.206 -5.275 -1.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.445 -1.212 -1.331 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.319 -2.881 -1.729 1.00 0.00 H new ATOM 482 N ASN A 30 -6.764 -1.508 -2.610 1.00 0.00 N ATOM 483 CA ASN A 30 -6.252 -0.179 -3.010 1.00 0.00 C ATOM 484 C ASN A 30 -7.224 0.906 -2.555 1.00 0.00 C ATOM 485 O ASN A 30 -6.838 2.052 -2.367 1.00 0.00 O ATOM 486 CB ASN A 30 -5.951 -0.022 -4.543 1.00 0.00 C ATOM 487 CG ASN A 30 -7.048 -0.453 -5.547 1.00 0.00 C ATOM 488 OD1 ASN A 30 -6.727 -0.912 -6.643 1.00 0.00 O ATOM 489 ND2 ASN A 30 -8.328 -0.285 -5.236 1.00 0.00 N ATOM 0 H ASN A 30 -7.665 -1.450 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.288 -0.072 -2.513 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.718 1.026 -4.732 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.050 -0.594 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.053 -0.537 -5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.586 0.096 -4.326 1.00 0.00 H new ATOM 496 N ALA A 31 -8.493 0.504 -2.364 1.00 0.00 N ATOM 497 CA ALA A 31 -9.583 1.418 -2.089 1.00 0.00 C ATOM 498 C ALA A 31 -9.451 2.045 -0.692 1.00 0.00 C ATOM 499 O ALA A 31 -9.451 1.335 0.322 1.00 0.00 O ATOM 500 CB ALA A 31 -10.913 0.682 -2.247 1.00 0.00 C ATOM 0 H ALA A 31 -8.779 -0.475 -2.399 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.546 2.238 -2.806 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.735 1.367 -2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.002 0.306 -3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.952 -0.153 -1.547 1.00 0.00 H new ATOM 506 N ALA A 32 -9.312 3.382 -0.670 1.00 0.00 N ATOM 507 CA ALA A 32 -9.362 4.201 0.557 1.00 0.00 C ATOM 508 C ALA A 32 -10.802 4.285 1.108 1.00 0.00 C ATOM 509 O ALA A 32 -11.025 4.770 2.213 1.00 0.00 O ATOM 510 CB ALA A 32 -8.818 5.607 0.248 1.00 0.00 C ATOM 0 H ALA A 32 -9.160 3.933 -1.515 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.744 3.732 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.852 6.217 1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.788 5.530 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -9.428 6.071 -0.527 1.00 0.00 H new ATOM 516 N SER A 33 -11.760 3.836 0.294 1.00 0.00 N ATOM 517 CA SER A 33 -13.179 3.789 0.631 1.00 0.00 C ATOM 518 C SER A 33 -13.842 2.652 -0.159 1.00 0.00 C ATOM 519 O SER A 33 -13.404 2.344 -1.263 1.00 0.00 O ATOM 520 CB SER A 33 -13.828 5.139 0.273 1.00 0.00 C ATOM 521 OG SER A 33 -15.199 5.160 0.592 1.00 0.00 O ATOM 0 H SER A 33 -11.561 3.486 -0.643 1.00 0.00 H new ATOM 0 HA SER A 33 -13.309 3.606 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.318 5.941 0.807 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.699 5.333 -0.792 1.00 0.00 H new ATOM 0 HG SER A 33 -15.611 5.963 0.211 1.00 0.00 H new ATOM 527 N SER A 34 -14.911 2.051 0.399 1.00 0.00 N ATOM 528 CA SER A 34 -15.723 1.032 -0.317 1.00 0.00 C ATOM 529 C SER A 34 -16.418 1.625 -1.562 1.00 0.00 C ATOM 530 O SER A 34 -16.780 0.891 -2.485 1.00 0.00 O ATOM 531 CB SER A 34 -16.759 0.402 0.642 1.00 0.00 C ATOM 532 OG SER A 34 -16.121 -0.165 1.781 1.00 0.00 O ATOM 0 H SER A 34 -15.237 2.250 1.345 1.00 0.00 H new ATOM 0 HA SER A 34 -15.046 0.252 -0.666 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.473 1.161 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.325 -0.368 0.117 1.00 0.00 H new ATOM 0 HG SER A 34 -16.797 -0.556 2.374 1.00 0.00 H new ATOM 538 N ASP A 35 -16.561 2.965 -1.561 1.00 0.00 N ATOM 539 CA ASP A 35 -17.046 3.759 -2.711 1.00 0.00 C ATOM 540 C ASP A 35 -16.136 3.601 -3.935 1.00 0.00 C ATOM 541 O ASP A 35 -16.573 3.797 -5.055 1.00 0.00 O ATOM 542 CB ASP A 35 -17.163 5.257 -2.326 1.00 0.00 C ATOM 543 CG ASP A 35 -18.236 5.522 -1.256 1.00 0.00 C ATOM 544 OD1 ASP A 35 -17.916 5.480 -0.047 1.00 0.00 O ATOM 545 OD2 ASP A 35 -19.407 5.751 -1.616 1.00 0.00 O ATOM 0 H ASP A 35 -16.339 3.538 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.033 3.379 -2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.198 5.608 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.396 5.838 -3.218 1.00 0.00 H new ATOM 550 N TRP A 36 -14.871 3.221 -3.704 1.00 0.00 N ATOM 551 CA TRP A 36 -13.885 2.953 -4.762 1.00 0.00 C ATOM 552 C TRP A 36 -13.656 1.443 -4.878 1.00 0.00 C ATOM 553 O TRP A 36 -13.811 0.704 -3.901 1.00 0.00 O ATOM 554 CB TRP A 36 -12.554 3.662 -4.454 1.00 0.00 C ATOM 555 CG TRP A 36 -12.641 5.173 -4.485 1.00 0.00 C ATOM 556 CD1 TRP A 36 -13.035 6.003 -3.468 1.00 0.00 C ATOM 557 CD2 TRP A 36 -12.315 6.032 -5.591 1.00 0.00 C ATOM 558 NE1 TRP A 36 -12.983 7.307 -3.877 1.00 0.00 N ATOM 559 CE2 TRP A 36 -12.541 7.354 -5.171 1.00 0.00 C ATOM 560 CE3 TRP A 36 -11.852 5.809 -6.893 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -12.320 8.446 -6.003 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -11.631 6.893 -7.716 1.00 0.00 C ATOM 563 CH2 TRP A 36 -11.865 8.200 -7.270 1.00 0.00 C ATOM 0 H TRP A 36 -14.498 3.089 -2.764 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.270 3.337 -5.707 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.206 3.348 -3.470 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -11.805 3.336 -5.176 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -13.342 5.675 -2.486 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -13.234 8.116 -3.308 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.671 4.805 -7.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -12.501 9.454 -5.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -11.271 6.732 -8.721 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.683 9.029 -7.938 1.00 0.00 H new ATOM 574 N HIS A 37 -13.286 0.988 -6.083 1.00 0.00 N ATOM 575 CA HIS A 37 -13.065 -0.439 -6.391 1.00 0.00 C ATOM 576 C HIS A 37 -11.846 -0.570 -7.310 1.00 0.00 C ATOM 577 O HIS A 37 -11.531 0.358 -8.059 1.00 0.00 O ATOM 578 CB HIS A 37 -14.307 -1.055 -7.097 1.00 0.00 C ATOM 579 CG HIS A 37 -15.586 -0.998 -6.293 1.00 0.00 C ATOM 580 ND1 HIS A 37 -15.981 -1.997 -5.430 1.00 0.00 N ATOM 581 CD2 HIS A 37 -16.547 -0.041 -6.219 1.00 0.00 C ATOM 582 CE1 HIS A 37 -17.123 -1.659 -4.864 1.00 0.00 C ATOM 583 NE2 HIS A 37 -17.491 -0.478 -5.324 1.00 0.00 N ATOM 0 H HIS A 37 -13.129 1.603 -6.882 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.897 -0.975 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.465 -0.536 -8.042 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.092 -2.096 -7.338 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -16.565 0.891 -6.764 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -17.667 -2.251 -4.143 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -18.337 0.026 -5.058 1.00 0.00 H new ATOM 592 N THR A 38 -11.155 -1.710 -7.242 1.00 0.00 N ATOM 593 CA THR A 38 -10.121 -2.061 -8.221 1.00 0.00 C ATOM 594 C THR A 38 -10.800 -2.507 -9.527 1.00 0.00 C ATOM 595 O THR A 38 -11.581 -3.465 -9.519 1.00 0.00 O ATOM 596 CB THR A 38 -9.207 -3.217 -7.709 1.00 0.00 C ATOM 597 OG1 THR A 38 -8.754 -2.940 -6.379 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.984 -3.435 -8.628 1.00 0.00 C ATOM 0 H THR A 38 -11.294 -2.411 -6.514 1.00 0.00 H new ATOM 0 HA THR A 38 -9.498 -1.181 -8.384 1.00 0.00 H new ATOM 0 HB THR A 38 -9.806 -4.128 -7.716 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.183 -3.673 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.374 -4.249 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.324 -3.688 -9.632 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.390 -2.522 -8.666 1.00 0.00 H new ATOM 606 N THR A 39 -10.542 -1.784 -10.626 1.00 0.00 N ATOM 607 CA THR A 39 -10.988 -2.201 -11.969 1.00 0.00 C ATOM 608 C THR A 39 -9.847 -2.944 -12.687 1.00 0.00 C ATOM 609 O THR A 39 -10.089 -3.791 -13.556 1.00 0.00 O ATOM 610 CB THR A 39 -11.500 -0.988 -12.816 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.892 -1.418 -14.124 1.00 0.00 O ATOM 612 CG2 THR A 39 -10.458 0.131 -12.941 1.00 0.00 C ATOM 0 H THR A 39 -10.025 -0.905 -10.614 1.00 0.00 H new ATOM 0 HA THR A 39 -11.834 -2.879 -11.854 1.00 0.00 H new ATOM 0 HB THR A 39 -12.360 -0.582 -12.283 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.211 -0.648 -14.640 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.868 0.945 -13.538 1.00 0.00 H new ATOM 0 HG22 THR A 39 -10.202 0.502 -11.949 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.562 -0.258 -13.425 1.00 0.00 H new ATOM 620 N GLY A 40 -8.602 -2.626 -12.287 1.00 0.00 N ATOM 621 CA GLY A 40 -7.416 -3.292 -12.799 1.00 0.00 C ATOM 622 C GLY A 40 -6.158 -2.785 -12.116 1.00 0.00 C ATOM 623 O GLY A 40 -6.048 -1.584 -11.827 1.00 0.00 O ATOM 0 H GLY A 40 -8.402 -1.899 -11.600 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.506 -4.368 -12.647 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.340 -3.128 -13.874 1.00 0.00 H new ATOM 627 N SER A 41 -5.220 -3.703 -11.838 1.00 0.00 N ATOM 628 CA SER A 41 -3.931 -3.393 -11.195 1.00 0.00 C ATOM 629 C SER A 41 -2.829 -4.346 -11.695 1.00 0.00 C ATOM 630 O SER A 41 -2.989 -5.567 -11.620 1.00 0.00 O ATOM 631 CB SER A 41 -4.046 -3.503 -9.654 1.00 0.00 C ATOM 632 OG SER A 41 -4.957 -2.555 -9.119 1.00 0.00 O ATOM 0 H SER A 41 -5.335 -4.693 -12.055 1.00 0.00 H new ATOM 0 HA SER A 41 -3.665 -2.370 -11.461 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.370 -4.509 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.064 -3.355 -9.206 1.00 0.00 H new ATOM 0 HG SER A 41 -5.248 -2.846 -8.230 1.00 0.00 H new ATOM 638 N ARG A 42 -1.716 -3.777 -12.208 1.00 0.00 N ATOM 639 CA ARG A 42 -0.486 -4.539 -12.540 1.00 0.00 C ATOM 640 C ARG A 42 0.635 -4.130 -11.575 1.00 0.00 C ATOM 641 O ARG A 42 0.687 -2.979 -11.147 1.00 0.00 O ATOM 642 CB ARG A 42 -0.032 -4.293 -14.013 1.00 0.00 C ATOM 643 CG ARG A 42 1.281 -5.029 -14.394 1.00 0.00 C ATOM 644 CD ARG A 42 1.784 -4.754 -15.819 1.00 0.00 C ATOM 645 NE ARG A 42 3.103 -5.395 -16.042 1.00 0.00 N ATOM 646 CZ ARG A 42 3.401 -6.304 -16.977 1.00 0.00 C ATOM 647 NH1 ARG A 42 2.489 -6.739 -17.834 1.00 0.00 N ATOM 648 NH2 ARG A 42 4.637 -6.762 -17.054 1.00 0.00 N ATOM 0 H ARG A 42 -1.642 -2.779 -12.404 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.705 -5.602 -12.437 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.826 -4.614 -14.687 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.104 -3.223 -14.168 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.060 -4.742 -13.687 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.126 -6.102 -14.279 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.063 -5.132 -16.544 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.864 -3.679 -15.981 1.00 0.00 H new ATOM 0 HE ARG A 42 3.860 -5.114 -15.419 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.535 -6.380 -17.790 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.741 -7.433 -18.538 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.348 -6.422 -16.406 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.881 -7.455 -17.761 1.00 0.00 H new ATOM 662 N VAL A 43 1.513 -5.086 -11.211 1.00 0.00 N ATOM 663 CA VAL A 43 2.706 -4.841 -10.376 1.00 0.00 C ATOM 664 C VAL A 43 3.910 -5.589 -10.971 1.00 0.00 C ATOM 665 O VAL A 43 3.794 -6.748 -11.360 1.00 0.00 O ATOM 666 CB VAL A 43 2.461 -5.298 -8.879 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.746 -5.215 -8.016 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.312 -4.480 -8.235 1.00 0.00 C ATOM 0 H VAL A 43 1.412 -6.061 -11.492 1.00 0.00 H new ATOM 0 HA VAL A 43 2.910 -3.770 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 43 2.168 -6.347 -8.912 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.523 -5.539 -6.999 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.513 -5.861 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.106 -4.186 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.161 -4.811 -7.207 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.571 -3.421 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.394 -4.632 -8.803 1.00 0.00 H new ATOM 678 N ASP A 44 5.045 -4.887 -11.079 1.00 0.00 N ATOM 679 CA ASP A 44 6.353 -5.458 -11.442 1.00 0.00 C ATOM 680 C ASP A 44 7.294 -5.243 -10.253 1.00 0.00 C ATOM 681 O ASP A 44 8.022 -4.241 -10.189 1.00 0.00 O ATOM 682 CB ASP A 44 6.922 -4.800 -12.732 1.00 0.00 C ATOM 683 CG ASP A 44 6.008 -4.989 -13.954 1.00 0.00 C ATOM 684 OD1 ASP A 44 6.075 -6.057 -14.608 1.00 0.00 O ATOM 685 OD2 ASP A 44 5.208 -4.075 -14.268 1.00 0.00 O ATOM 0 H ASP A 44 5.083 -3.881 -10.913 1.00 0.00 H new ATOM 0 HA ASP A 44 6.250 -6.521 -11.659 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.069 -3.734 -12.556 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.902 -5.225 -12.949 1.00 0.00 H new ATOM 690 N LEU A 45 7.219 -6.165 -9.282 1.00 0.00 N ATOM 691 CA LEU A 45 7.925 -6.042 -8.004 1.00 0.00 C ATOM 692 C LEU A 45 9.408 -6.429 -8.147 1.00 0.00 C ATOM 693 O LEU A 45 9.801 -7.574 -7.900 1.00 0.00 O ATOM 694 CB LEU A 45 7.222 -6.895 -6.920 1.00 0.00 C ATOM 695 CG LEU A 45 7.791 -6.762 -5.479 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.688 -5.313 -4.978 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.102 -7.739 -4.508 1.00 0.00 C ATOM 0 H LEU A 45 6.665 -7.018 -9.364 1.00 0.00 H new ATOM 0 HA LEU A 45 7.893 -4.998 -7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.166 -6.624 -6.900 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.277 -7.942 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 45 8.847 -7.030 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.093 -5.248 -3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.255 -4.658 -5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.643 -5.004 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.524 -7.619 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.033 -7.528 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.260 -8.762 -4.848 1.00 0.00 H new ATOM 709 N VAL A 46 10.197 -5.467 -8.633 1.00 0.00 N ATOM 710 CA VAL A 46 11.664 -5.518 -8.678 1.00 0.00 C ATOM 711 C VAL A 46 12.197 -4.112 -8.356 1.00 0.00 C ATOM 712 O VAL A 46 11.435 -3.131 -8.394 1.00 0.00 O ATOM 713 CB VAL A 46 12.225 -5.999 -10.086 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.871 -7.482 -10.380 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.758 -5.078 -11.247 1.00 0.00 C ATOM 0 H VAL A 46 9.821 -4.601 -9.019 1.00 0.00 H new ATOM 0 HA VAL A 46 12.004 -6.251 -7.946 1.00 0.00 H new ATOM 0 HB VAL A 46 13.311 -5.925 -10.023 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.274 -7.767 -11.352 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.302 -8.119 -9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.788 -7.603 -10.387 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.165 -5.445 -12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.669 -5.080 -11.297 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.111 -4.062 -11.070 1.00 0.00 H new ATOM 725 N VAL A 47 13.492 -4.010 -8.021 1.00 0.00 N ATOM 726 CA VAL A 47 14.146 -2.706 -7.812 1.00 0.00 C ATOM 727 C VAL A 47 14.338 -2.033 -9.191 1.00 0.00 C ATOM 728 O VAL A 47 15.230 -2.407 -9.959 1.00 0.00 O ATOM 729 CB VAL A 47 15.527 -2.855 -7.064 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.191 -1.473 -6.801 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.360 -3.663 -5.749 1.00 0.00 C ATOM 0 H VAL A 47 14.108 -4.812 -7.889 1.00 0.00 H new ATOM 0 HA VAL A 47 13.514 -2.087 -7.176 1.00 0.00 H new ATOM 0 HB VAL A 47 16.198 -3.413 -7.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.140 -1.618 -6.284 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.368 -0.968 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.531 -0.864 -6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.326 -3.752 -5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.660 -3.148 -5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.977 -4.657 -5.979 1.00 0.00 H new ATOM 741 N GLY A 48 13.457 -1.064 -9.491 1.00 0.00 N ATOM 742 CA GLY A 48 13.391 -0.409 -10.803 1.00 0.00 C ATOM 743 C GLY A 48 12.044 -0.626 -11.479 1.00 0.00 C ATOM 744 O GLY A 48 11.695 0.100 -12.416 1.00 0.00 O ATOM 0 H GLY A 48 12.768 -0.713 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.570 0.660 -10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.185 -0.796 -11.442 1.00 0.00 H new ATOM 748 N GLY A 49 11.287 -1.632 -10.999 1.00 0.00 N ATOM 749 CA GLY A 49 9.973 -1.975 -11.558 1.00 0.00 C ATOM 750 C GLY A 49 8.876 -1.021 -11.140 1.00 0.00 C ATOM 751 O GLY A 49 9.026 -0.281 -10.178 1.00 0.00 O ATOM 0 H GLY A 49 11.570 -2.224 -10.218 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.040 -1.985 -12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.705 -2.984 -11.245 1.00 0.00 H new ATOM 755 N ARG A 50 7.765 -1.049 -11.877 1.00 0.00 N ATOM 756 CA ARG A 50 6.630 -0.135 -11.669 1.00 0.00 C ATOM 757 C ARG A 50 5.373 -0.923 -11.315 1.00 0.00 C ATOM 758 O ARG A 50 5.274 -2.112 -11.601 1.00 0.00 O ATOM 759 CB ARG A 50 6.374 0.711 -12.942 1.00 0.00 C ATOM 760 CG ARG A 50 7.538 1.635 -13.346 1.00 0.00 C ATOM 761 CD ARG A 50 7.234 2.413 -14.633 1.00 0.00 C ATOM 762 NE ARG A 50 6.011 3.230 -14.520 1.00 0.00 N ATOM 763 CZ ARG A 50 5.331 3.769 -15.548 1.00 0.00 C ATOM 764 NH1 ARG A 50 5.732 3.604 -16.801 1.00 0.00 N ATOM 765 NH2 ARG A 50 4.246 4.483 -15.309 1.00 0.00 N ATOM 0 H ARG A 50 7.622 -1.709 -12.641 1.00 0.00 H new ATOM 0 HA ARG A 50 6.877 0.533 -10.844 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.158 0.038 -13.772 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.483 1.319 -12.784 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.741 2.337 -12.537 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.441 1.041 -13.486 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.079 3.059 -14.872 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.125 1.712 -15.461 1.00 0.00 H new ATOM 0 HE ARG A 50 5.650 3.401 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.571 3.060 -17.000 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.201 4.022 -17.565 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.929 4.623 -14.350 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.726 4.895 -16.084 1.00 0.00 H new ATOM 779 N PHE A 51 4.412 -0.237 -10.699 1.00 0.00 N ATOM 780 CA PHE A 51 3.063 -0.772 -10.462 1.00 0.00 C ATOM 781 C PHE A 51 2.032 0.301 -10.818 1.00 0.00 C ATOM 782 O PHE A 51 2.381 1.474 -10.964 1.00 0.00 O ATOM 783 CB PHE A 51 2.882 -1.245 -8.993 1.00 0.00 C ATOM 784 CG PHE A 51 2.735 -0.126 -7.959 1.00 0.00 C ATOM 785 CD1 PHE A 51 3.837 0.596 -7.531 1.00 0.00 C ATOM 786 CD2 PHE A 51 1.483 0.204 -7.437 1.00 0.00 C ATOM 787 CE1 PHE A 51 3.698 1.607 -6.618 1.00 0.00 C ATOM 788 CE2 PHE A 51 1.347 1.217 -6.520 1.00 0.00 C ATOM 789 CZ PHE A 51 2.452 1.922 -6.111 1.00 0.00 C ATOM 0 H PHE A 51 4.543 0.711 -10.347 1.00 0.00 H new ATOM 0 HA PHE A 51 2.917 -1.647 -11.096 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.000 -1.884 -8.940 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.739 -1.861 -8.719 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.816 0.359 -7.921 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.610 -0.345 -7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.566 2.161 -6.293 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.373 1.459 -6.121 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.347 2.722 -5.393 1.00 0.00 H new ATOM 799 N CYS A 52 0.763 -0.108 -10.927 1.00 0.00 N ATOM 800 CA CYS A 52 -0.362 0.795 -11.151 1.00 0.00 C ATOM 801 C CYS A 52 -1.641 0.159 -10.601 1.00 0.00 C ATOM 802 O CYS A 52 -1.911 -1.009 -10.882 1.00 0.00 O ATOM 803 CB CYS A 52 -0.515 1.115 -12.657 1.00 0.00 C ATOM 804 SG CYS A 52 -1.756 2.377 -13.012 1.00 0.00 S ATOM 0 H CYS A 52 0.489 -1.088 -10.861 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.176 1.733 -10.629 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.447 1.445 -13.048 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.778 0.200 -13.188 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.813 2.581 -14.295 1.00 0.00 H new ATOM 810 N HIS A 53 -2.387 0.913 -9.777 1.00 0.00 N ATOM 811 CA HIS A 53 -3.716 0.526 -9.279 1.00 0.00 C ATOM 812 C HIS A 53 -4.737 1.525 -9.832 1.00 0.00 C ATOM 813 O HIS A 53 -4.865 2.630 -9.288 1.00 0.00 O ATOM 814 CB HIS A 53 -3.771 0.559 -7.722 1.00 0.00 C ATOM 815 CG HIS A 53 -3.045 -0.539 -6.993 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.714 -0.469 -6.650 1.00 0.00 N ATOM 817 CD2 HIS A 53 -3.512 -1.683 -6.444 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.400 -1.523 -5.915 1.00 0.00 C ATOM 819 NE2 HIS A 53 -2.479 -2.266 -5.773 1.00 0.00 N ATOM 0 H HIS A 53 -2.078 1.822 -9.433 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.935 -0.491 -9.604 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.365 1.514 -7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.818 0.534 -7.419 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -1.072 0.277 -6.920 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.519 -2.065 -6.523 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.426 -1.738 -5.502 1.00 0.00 H new ATOM 828 N HIS A 54 -5.431 1.180 -10.928 1.00 0.00 N ATOM 829 CA HIS A 54 -6.505 2.043 -11.434 1.00 0.00 C ATOM 830 C HIS A 54 -7.727 1.899 -10.510 1.00 0.00 C ATOM 831 O HIS A 54 -8.424 0.873 -10.515 1.00 0.00 O ATOM 832 CB HIS A 54 -6.864 1.747 -12.912 1.00 0.00 C ATOM 833 CG HIS A 54 -7.731 2.829 -13.541 1.00 0.00 C ATOM 834 ND1 HIS A 54 -8.840 2.574 -14.308 1.00 0.00 N ATOM 835 CD2 HIS A 54 -7.631 4.183 -13.488 1.00 0.00 C ATOM 836 CE1 HIS A 54 -9.387 3.710 -14.690 1.00 0.00 C ATOM 837 NE2 HIS A 54 -8.674 4.703 -14.208 1.00 0.00 N ATOM 0 H HIS A 54 -5.272 0.330 -11.469 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.157 3.076 -11.424 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.945 1.643 -13.490 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.386 0.792 -12.969 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.868 4.747 -12.972 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.274 3.809 -15.298 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -8.865 5.695 -14.347 1.00 0.00 H new ATOM 846 N MET A 55 -7.911 2.921 -9.676 1.00 0.00 N ATOM 847 CA MET A 55 -9.058 3.031 -8.778 1.00 0.00 C ATOM 848 C MET A 55 -10.248 3.575 -9.587 1.00 0.00 C ATOM 849 O MET A 55 -10.123 4.589 -10.264 1.00 0.00 O ATOM 850 CB MET A 55 -8.758 3.995 -7.592 1.00 0.00 C ATOM 851 CG MET A 55 -7.580 3.623 -6.680 1.00 0.00 C ATOM 852 SD MET A 55 -7.351 4.857 -5.374 1.00 0.00 S ATOM 853 CE MET A 55 -5.944 4.212 -4.476 1.00 0.00 C ATOM 0 H MET A 55 -7.261 3.704 -9.604 1.00 0.00 H new ATOM 0 HA MET A 55 -9.282 2.048 -8.363 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.571 4.988 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 55 -9.655 4.066 -6.977 1.00 0.00 H new ATOM 0 HG2 MET A 55 -7.757 2.645 -6.233 1.00 0.00 H new ATOM 0 HG3 MET A 55 -6.669 3.543 -7.273 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.208 4.088 -3.426 1.00 0.00 H new ATOM 0 HE2 MET A 55 -5.657 3.247 -4.894 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.109 4.907 -4.560 1.00 0.00 H new ATOM 863 N ALA A 56 -11.378 2.879 -9.547 1.00 0.00 N ATOM 864 CA ALA A 56 -12.618 3.319 -10.190 1.00 0.00 C ATOM 865 C ALA A 56 -13.741 3.235 -9.166 1.00 0.00 C ATOM 866 O ALA A 56 -13.985 2.166 -8.598 1.00 0.00 O ATOM 867 CB ALA A 56 -12.921 2.450 -11.421 1.00 0.00 C ATOM 0 H ALA A 56 -11.464 1.985 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.519 4.348 -10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.846 2.790 -11.888 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.102 2.533 -12.136 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.030 1.410 -11.114 1.00 0.00 H new ATOM 873 N ALA A 57 -14.409 4.371 -8.923 1.00 0.00 N ATOM 874 CA ALA A 57 -15.520 4.468 -7.965 1.00 0.00 C ATOM 875 C ALA A 57 -16.729 3.617 -8.415 1.00 0.00 C ATOM 876 O ALA A 57 -16.730 3.076 -9.522 1.00 0.00 O ATOM 877 CB ALA A 57 -15.898 5.938 -7.760 1.00 0.00 C ATOM 0 H ALA A 57 -14.193 5.253 -9.388 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.196 4.062 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -16.722 6.006 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.038 6.484 -7.372 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.204 6.371 -8.712 1.00 0.00 H new ATOM 883 N LYS A 58 -17.755 3.536 -7.548 1.00 0.00 N ATOM 884 CA LYS A 58 -18.917 2.631 -7.684 1.00 0.00 C ATOM 885 C LYS A 58 -19.593 2.693 -9.069 1.00 0.00 C ATOM 886 O LYS A 58 -19.945 1.661 -9.647 1.00 0.00 O ATOM 887 CB LYS A 58 -19.931 2.983 -6.570 1.00 0.00 C ATOM 888 CG LYS A 58 -21.112 2.012 -6.425 1.00 0.00 C ATOM 889 CD LYS A 58 -22.043 2.380 -5.250 1.00 0.00 C ATOM 890 CE LYS A 58 -23.102 1.304 -5.009 1.00 0.00 C ATOM 891 NZ LYS A 58 -24.037 1.167 -6.160 1.00 0.00 N ATOM 0 H LYS A 58 -17.802 4.114 -6.709 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.558 1.607 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.400 3.027 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.324 3.981 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.687 2.005 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.731 1.001 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -21.451 2.517 -4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -22.532 3.332 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.611 0.348 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -23.668 1.549 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -24.758 0.451 -5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -24.501 2.080 -6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -23.506 0.874 -7.005 1.00 0.00 H new ATOM 905 N ASP A 59 -19.746 3.914 -9.585 1.00 0.00 N ATOM 906 CA ASP A 59 -20.439 4.181 -10.865 1.00 0.00 C ATOM 907 C ASP A 59 -19.427 4.209 -12.023 1.00 0.00 C ATOM 908 O ASP A 59 -19.813 4.150 -13.191 1.00 0.00 O ATOM 909 CB ASP A 59 -21.180 5.542 -10.796 1.00 0.00 C ATOM 910 CG ASP A 59 -22.015 5.704 -9.517 1.00 0.00 C ATOM 911 OD1 ASP A 59 -21.448 6.128 -8.479 1.00 0.00 O ATOM 912 OD2 ASP A 59 -23.227 5.389 -9.533 1.00 0.00 O ATOM 0 H ASP A 59 -19.394 4.756 -9.130 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.162 3.384 -11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.451 6.350 -10.853 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.832 5.639 -11.664 1.00 0.00 H new ATOM 917 N GLY A 60 -18.129 4.335 -11.673 1.00 0.00 N ATOM 918 CA GLY A 60 -17.045 4.503 -12.646 1.00 0.00 C ATOM 919 C GLY A 60 -16.937 5.940 -13.158 1.00 0.00 C ATOM 920 O GLY A 60 -16.216 6.206 -14.124 1.00 0.00 O ATOM 0 H GLY A 60 -17.810 4.322 -10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -16.100 4.212 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.210 3.832 -13.489 1.00 0.00 H new ATOM 924 N SER A 61 -17.653 6.874 -12.492 1.00 0.00 N ATOM 925 CA SER A 61 -17.672 8.299 -12.872 1.00 0.00 C ATOM 926 C SER A 61 -16.404 9.019 -12.361 1.00 0.00 C ATOM 927 O SER A 61 -16.016 10.055 -12.905 1.00 0.00 O ATOM 928 CB SER A 61 -18.949 8.980 -12.326 1.00 0.00 C ATOM 929 OG SER A 61 -19.080 10.319 -12.788 1.00 0.00 O ATOM 0 H SER A 61 -18.231 6.659 -11.679 1.00 0.00 H new ATOM 0 HA SER A 61 -17.681 8.368 -13.960 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.824 8.405 -12.629 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.925 8.974 -11.236 1.00 0.00 H new ATOM 0 HG SER A 61 -19.899 10.713 -12.422 1.00 0.00 H new ATOM 935 N ALA A 62 -15.781 8.460 -11.305 1.00 0.00 N ATOM 936 CA ALA A 62 -14.519 8.961 -10.731 1.00 0.00 C ATOM 937 C ALA A 62 -13.427 7.889 -10.895 1.00 0.00 C ATOM 938 O ALA A 62 -13.654 6.721 -10.556 1.00 0.00 O ATOM 939 CB ALA A 62 -14.720 9.329 -9.255 1.00 0.00 C ATOM 0 H ALA A 62 -16.145 7.639 -10.822 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.205 9.862 -11.258 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.782 9.698 -8.841 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.482 10.104 -9.174 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.039 8.447 -8.700 1.00 0.00 H new ATOM 945 N GLY A 63 -12.258 8.290 -11.437 1.00 0.00 N ATOM 946 CA GLY A 63 -11.129 7.376 -11.680 1.00 0.00 C ATOM 947 C GLY A 63 -9.786 7.990 -11.276 1.00 0.00 C ATOM 948 O GLY A 63 -9.513 9.160 -11.577 1.00 0.00 O ATOM 0 H GLY A 63 -12.073 9.253 -11.717 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.286 6.452 -11.123 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.101 7.110 -12.737 1.00 0.00 H new ATOM 952 N PHE A 64 -8.940 7.185 -10.614 1.00 0.00 N ATOM 953 CA PHE A 64 -7.627 7.596 -10.090 1.00 0.00 C ATOM 954 C PHE A 64 -6.569 6.551 -10.481 1.00 0.00 C ATOM 955 O PHE A 64 -6.894 5.377 -10.661 1.00 0.00 O ATOM 956 CB PHE A 64 -7.713 7.738 -8.547 1.00 0.00 C ATOM 957 CG PHE A 64 -6.399 8.169 -7.872 1.00 0.00 C ATOM 958 CD1 PHE A 64 -5.914 9.461 -8.036 1.00 0.00 C ATOM 959 CD2 PHE A 64 -5.646 7.277 -7.100 1.00 0.00 C ATOM 960 CE1 PHE A 64 -4.726 9.852 -7.457 1.00 0.00 C ATOM 961 CE2 PHE A 64 -4.458 7.675 -6.514 1.00 0.00 C ATOM 962 CZ PHE A 64 -3.996 8.963 -6.695 1.00 0.00 C ATOM 0 H PHE A 64 -9.155 6.206 -10.423 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.340 8.557 -10.516 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.487 8.466 -8.304 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.028 6.784 -8.124 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.477 10.169 -8.626 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.997 6.265 -6.960 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.365 10.860 -7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.892 6.978 -5.915 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.066 9.274 -6.242 1.00 0.00 H new ATOM 972 N ASP A 65 -5.304 6.984 -10.607 1.00 0.00 N ATOM 973 CA ASP A 65 -4.169 6.095 -10.921 1.00 0.00 C ATOM 974 C ASP A 65 -3.173 6.098 -9.750 1.00 0.00 C ATOM 975 O ASP A 65 -2.413 7.054 -9.562 1.00 0.00 O ATOM 976 CB ASP A 65 -3.481 6.540 -12.240 1.00 0.00 C ATOM 977 CG ASP A 65 -4.418 6.453 -13.461 1.00 0.00 C ATOM 978 OD1 ASP A 65 -4.589 5.342 -14.015 1.00 0.00 O ATOM 979 OD2 ASP A 65 -4.990 7.493 -13.870 1.00 0.00 O ATOM 0 H ASP A 65 -5.037 7.962 -10.494 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.536 5.079 -11.064 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.127 7.565 -12.132 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.604 5.917 -12.415 1.00 0.00 H new ATOM 984 N PHE A 66 -3.189 5.017 -8.958 1.00 0.00 N ATOM 985 CA PHE A 66 -2.280 4.839 -7.818 1.00 0.00 C ATOM 986 C PHE A 66 -1.068 4.054 -8.326 1.00 0.00 C ATOM 987 O PHE A 66 -0.952 2.830 -8.147 1.00 0.00 O ATOM 988 CB PHE A 66 -3.010 4.138 -6.641 1.00 0.00 C ATOM 989 CG PHE A 66 -2.141 3.879 -5.403 1.00 0.00 C ATOM 990 CD1 PHE A 66 -1.550 4.939 -4.722 1.00 0.00 C ATOM 991 CD2 PHE A 66 -1.892 2.582 -4.946 1.00 0.00 C ATOM 992 CE1 PHE A 66 -0.752 4.714 -3.621 1.00 0.00 C ATOM 993 CE2 PHE A 66 -1.088 2.358 -3.845 1.00 0.00 C ATOM 994 CZ PHE A 66 -0.513 3.425 -3.183 1.00 0.00 C ATOM 0 H PHE A 66 -3.835 4.239 -9.091 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.942 5.796 -7.421 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.863 4.749 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.406 3.186 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.719 5.951 -5.060 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.335 1.742 -5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.311 5.549 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.909 1.349 -3.502 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.121 3.253 -2.326 1.00 0.00 H new ATOM 1004 N THR A 67 -0.206 4.781 -9.039 1.00 0.00 N ATOM 1005 CA THR A 67 0.923 4.216 -9.778 1.00 0.00 C ATOM 1006 C THR A 67 2.244 4.786 -9.243 1.00 0.00 C ATOM 1007 O THR A 67 2.299 5.936 -8.791 1.00 0.00 O ATOM 1008 CB THR A 67 0.749 4.481 -11.317 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.863 3.963 -12.053 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.556 5.967 -11.653 1.00 0.00 C ATOM 0 H THR A 67 -0.274 5.795 -9.120 1.00 0.00 H new ATOM 0 HA THR A 67 0.949 3.136 -9.631 1.00 0.00 H new ATOM 0 HB THR A 67 -0.162 3.959 -11.611 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.087 3.069 -11.720 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.442 6.084 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.336 6.341 -11.150 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.425 6.532 -11.317 1.00 0.00 H new ATOM 1018 N GLY A 68 3.293 3.952 -9.281 1.00 0.00 N ATOM 1019 CA GLY A 68 4.607 4.315 -8.753 1.00 0.00 C ATOM 1020 C GLY A 68 5.703 3.380 -9.239 1.00 0.00 C ATOM 1021 O GLY A 68 5.434 2.454 -10.004 1.00 0.00 O ATOM 0 H GLY A 68 3.251 3.013 -9.677 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.846 5.336 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.575 4.299 -7.664 1.00 0.00 H new ATOM 1025 N THR A 69 6.950 3.628 -8.795 1.00 0.00 N ATOM 1026 CA THR A 69 8.127 2.819 -9.166 1.00 0.00 C ATOM 1027 C THR A 69 8.902 2.415 -7.903 1.00 0.00 C ATOM 1028 O THR A 69 9.307 3.283 -7.125 1.00 0.00 O ATOM 1029 CB THR A 69 9.070 3.630 -10.118 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.329 4.086 -11.252 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.274 2.799 -10.603 1.00 0.00 C ATOM 0 H THR A 69 7.170 4.400 -8.165 1.00 0.00 H new ATOM 0 HA THR A 69 7.783 1.924 -9.685 1.00 0.00 H new ATOM 0 HB THR A 69 9.458 4.473 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.920 4.595 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.896 3.408 -11.260 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.862 2.475 -9.744 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.917 1.925 -11.149 1.00 0.00 H new ATOM 1039 N PHE A 70 9.120 1.094 -7.724 1.00 0.00 N ATOM 1040 CA PHE A 70 9.813 0.526 -6.560 1.00 0.00 C ATOM 1041 C PHE A 70 11.296 0.920 -6.562 1.00 0.00 C ATOM 1042 O PHE A 70 12.029 0.593 -7.495 1.00 0.00 O ATOM 1043 CB PHE A 70 9.666 -1.011 -6.539 1.00 0.00 C ATOM 1044 CG PHE A 70 8.212 -1.495 -6.534 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.419 -1.356 -5.395 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.635 -2.076 -7.665 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.106 -1.781 -5.385 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.319 -2.498 -7.653 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.556 -2.354 -6.511 1.00 0.00 C ATOM 0 H PHE A 70 8.814 0.389 -8.395 1.00 0.00 H new ATOM 0 HA PHE A 70 9.352 0.932 -5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.174 -1.427 -7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.172 -1.403 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.839 -0.909 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.225 -2.197 -8.561 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.508 -1.664 -4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.887 -2.941 -8.538 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.530 -2.690 -6.500 1.00 0.00 H new ATOM 1059 N THR A 71 11.703 1.634 -5.509 1.00 0.00 N ATOM 1060 CA THR A 71 13.079 2.109 -5.314 1.00 0.00 C ATOM 1061 C THR A 71 13.883 1.120 -4.449 1.00 0.00 C ATOM 1062 O THR A 71 15.112 1.051 -4.555 1.00 0.00 O ATOM 1063 CB THR A 71 13.062 3.521 -4.643 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.244 3.474 -3.455 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.512 4.596 -5.601 1.00 0.00 C ATOM 0 H THR A 71 11.074 1.904 -4.752 1.00 0.00 H new ATOM 0 HA THR A 71 13.563 2.180 -6.288 1.00 0.00 H new ATOM 0 HB THR A 71 14.087 3.789 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.232 4.357 -3.031 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.515 5.565 -5.101 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.139 4.645 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.493 4.339 -5.889 1.00 0.00 H new ATOM 1073 N ARG A 72 13.169 0.350 -3.613 1.00 0.00 N ATOM 1074 CA ARG A 72 13.761 -0.606 -2.662 1.00 0.00 C ATOM 1075 C ARG A 72 12.790 -1.780 -2.473 1.00 0.00 C ATOM 1076 O ARG A 72 11.598 -1.559 -2.261 1.00 0.00 O ATOM 1077 CB ARG A 72 14.006 0.102 -1.300 1.00 0.00 C ATOM 1078 CG ARG A 72 14.526 -0.796 -0.152 1.00 0.00 C ATOM 1079 CD ARG A 72 14.421 -0.112 1.226 1.00 0.00 C ATOM 1080 NE ARG A 72 15.213 1.137 1.306 1.00 0.00 N ATOM 1081 CZ ARG A 72 14.770 2.316 1.771 1.00 0.00 C ATOM 1082 NH1 ARG A 72 13.523 2.452 2.206 1.00 0.00 N ATOM 1083 NH2 ARG A 72 15.577 3.354 1.789 1.00 0.00 N ATOM 0 H ARG A 72 12.150 0.374 -3.578 1.00 0.00 H new ATOM 0 HA ARG A 72 14.712 -0.975 -3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.722 0.909 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.072 0.563 -0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.958 -1.726 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.566 -1.061 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.375 0.112 1.437 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.761 -0.803 1.997 1.00 0.00 H new ATOM 0 HE ARG A 72 16.179 1.098 0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.887 1.654 2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.201 3.354 2.556 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.535 3.261 1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.245 4.252 2.141 1.00 0.00 H new ATOM 1097 N VAL A 73 13.295 -3.022 -2.576 1.00 0.00 N ATOM 1098 CA VAL A 73 12.518 -4.249 -2.299 1.00 0.00 C ATOM 1099 C VAL A 73 13.321 -5.117 -1.310 1.00 0.00 C ATOM 1100 O VAL A 73 14.354 -5.689 -1.679 1.00 0.00 O ATOM 1101 CB VAL A 73 12.207 -5.080 -3.610 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.349 -6.340 -3.296 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.537 -4.204 -4.702 1.00 0.00 C ATOM 0 H VAL A 73 14.259 -3.207 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 73 11.557 -3.957 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 73 13.163 -5.420 -4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 73 11.154 -6.887 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.888 -6.983 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.403 -6.034 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.340 -4.811 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.598 -3.802 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.202 -3.382 -4.968 1.00 0.00 H new ATOM 1113 N GLU A 74 12.869 -5.162 -0.044 1.00 0.00 N ATOM 1114 CA GLU A 74 13.473 -5.995 1.014 1.00 0.00 C ATOM 1115 C GLU A 74 12.415 -6.962 1.579 1.00 0.00 C ATOM 1116 O GLU A 74 11.764 -6.658 2.580 1.00 0.00 O ATOM 1117 CB GLU A 74 14.066 -5.103 2.144 1.00 0.00 C ATOM 1118 CG GLU A 74 15.218 -4.171 1.700 1.00 0.00 C ATOM 1119 CD GLU A 74 15.817 -3.358 2.859 1.00 0.00 C ATOM 1120 OE1 GLU A 74 15.079 -2.569 3.486 1.00 0.00 O ATOM 1121 OE2 GLU A 74 17.034 -3.485 3.137 1.00 0.00 O ATOM 0 H GLU A 74 12.068 -4.618 0.277 1.00 0.00 H new ATOM 0 HA GLU A 74 14.289 -6.577 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.266 -4.493 2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.428 -5.748 2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.004 -4.769 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.849 -3.486 0.936 1.00 0.00 H new ATOM 1128 N ALA A 75 12.234 -8.113 0.915 1.00 0.00 N ATOM 1129 CA ALA A 75 11.260 -9.128 1.329 1.00 0.00 C ATOM 1130 C ALA A 75 11.720 -9.822 2.640 1.00 0.00 C ATOM 1131 O ALA A 75 12.910 -10.119 2.777 1.00 0.00 O ATOM 1132 CB ALA A 75 11.072 -10.145 0.196 1.00 0.00 C ATOM 0 H ALA A 75 12.759 -8.364 0.077 1.00 0.00 H new ATOM 0 HA ALA A 75 10.301 -8.650 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.348 -10.901 0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.708 -9.634 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.026 -10.624 -0.025 1.00 0.00 H new ATOM 1138 N PRO A 76 10.813 -10.051 3.648 1.00 0.00 N ATOM 1139 CA PRO A 76 9.413 -9.555 3.671 1.00 0.00 C ATOM 1140 C PRO A 76 9.237 -8.266 4.513 1.00 0.00 C ATOM 1141 O PRO A 76 8.106 -7.840 4.773 1.00 0.00 O ATOM 1142 CB PRO A 76 8.701 -10.760 4.331 1.00 0.00 C ATOM 1143 CG PRO A 76 9.689 -11.309 5.326 1.00 0.00 C ATOM 1144 CD PRO A 76 11.077 -10.885 4.855 1.00 0.00 C ATOM 0 HA PRO A 76 9.034 -9.267 2.691 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.778 -10.451 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.431 -11.512 3.589 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.486 -10.923 6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.616 -12.395 5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.603 -10.319 5.624 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.697 -11.748 4.615 1.00 0.00 H new ATOM 1152 N THR A 77 10.365 -7.636 4.896 1.00 0.00 N ATOM 1153 CA THR A 77 10.408 -6.671 6.006 1.00 0.00 C ATOM 1154 C THR A 77 10.305 -5.197 5.580 1.00 0.00 C ATOM 1155 O THR A 77 10.180 -4.329 6.448 1.00 0.00 O ATOM 1156 CB THR A 77 11.687 -6.904 6.879 1.00 0.00 C ATOM 1157 OG1 THR A 77 11.646 -6.082 8.053 1.00 0.00 O ATOM 1158 CG2 THR A 77 12.988 -6.614 6.125 1.00 0.00 C ATOM 0 H THR A 77 11.268 -7.783 4.445 1.00 0.00 H new ATOM 0 HA THR A 77 9.511 -6.863 6.596 1.00 0.00 H new ATOM 0 HB THR A 77 11.682 -7.961 7.147 1.00 0.00 H new ATOM 0 HG1 THR A 77 10.733 -5.755 8.192 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.838 -6.794 6.783 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.058 -7.267 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.995 -5.574 5.799 1.00 0.00 H new ATOM 1166 N ARG A 78 10.333 -4.899 4.273 1.00 0.00 N ATOM 1167 CA ARG A 78 10.263 -3.506 3.783 1.00 0.00 C ATOM 1168 C ARG A 78 10.023 -3.469 2.272 1.00 0.00 C ATOM 1169 O ARG A 78 10.506 -4.322 1.529 1.00 0.00 O ATOM 1170 CB ARG A 78 11.558 -2.716 4.152 1.00 0.00 C ATOM 1171 CG ARG A 78 11.439 -1.176 4.050 1.00 0.00 C ATOM 1172 CD ARG A 78 12.659 -0.442 4.645 1.00 0.00 C ATOM 1173 NE ARG A 78 12.451 1.015 4.727 1.00 0.00 N ATOM 1174 CZ ARG A 78 13.295 1.902 5.294 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.435 1.510 5.855 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.985 3.185 5.279 1.00 0.00 N ATOM 0 H ARG A 78 10.403 -5.599 3.534 1.00 0.00 H new ATOM 0 HA ARG A 78 9.419 -3.023 4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.846 -2.976 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.365 -3.047 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.325 -0.893 3.003 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.537 -0.851 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.865 -0.834 5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.537 -0.647 4.033 1.00 0.00 H new ATOM 0 HE ARG A 78 11.593 1.386 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.686 0.521 5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.058 2.198 6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.117 3.495 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.614 3.867 5.704 1.00 0.00 H new ATOM 1190 N LEU A 79 9.250 -2.474 1.846 1.00 0.00 N ATOM 1191 CA LEU A 79 9.012 -2.165 0.446 1.00 0.00 C ATOM 1192 C LEU A 79 8.865 -0.650 0.302 1.00 0.00 C ATOM 1193 O LEU A 79 8.065 -0.035 1.003 1.00 0.00 O ATOM 1194 CB LEU A 79 7.747 -2.890 -0.076 1.00 0.00 C ATOM 1195 CG LEU A 79 7.465 -2.706 -1.596 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.695 -3.129 -2.438 1.00 0.00 C ATOM 1197 CD2 LEU A 79 6.189 -3.471 -2.025 1.00 0.00 C ATOM 0 H LEU A 79 8.761 -1.846 2.484 1.00 0.00 H new ATOM 0 HA LEU A 79 9.854 -2.514 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.844 -3.955 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.884 -2.532 0.485 1.00 0.00 H new ATOM 0 HG LEU A 79 7.285 -1.647 -1.782 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.476 -2.992 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.553 -2.515 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.923 -4.178 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.018 -3.324 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.316 -4.534 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.333 -3.094 -1.465 1.00 0.00 H new ATOM 1209 N SER A 80 9.622 -0.061 -0.617 1.00 0.00 N ATOM 1210 CA SER A 80 9.654 1.391 -0.822 1.00 0.00 C ATOM 1211 C SER A 80 9.489 1.684 -2.316 1.00 0.00 C ATOM 1212 O SER A 80 10.039 0.964 -3.160 1.00 0.00 O ATOM 1213 CB SER A 80 10.981 1.968 -0.288 1.00 0.00 C ATOM 1214 OG SER A 80 11.291 1.419 0.982 1.00 0.00 O ATOM 0 H SER A 80 10.236 -0.577 -1.247 1.00 0.00 H new ATOM 0 HA SER A 80 8.838 1.865 -0.276 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.786 1.751 -0.990 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.907 3.053 -0.213 1.00 0.00 H new ATOM 0 HG SER A 80 11.010 2.041 1.685 1.00 0.00 H new ATOM 1220 N PHE A 81 8.731 2.741 -2.627 1.00 0.00 N ATOM 1221 CA PHE A 81 8.442 3.169 -3.998 1.00 0.00 C ATOM 1222 C PHE A 81 8.137 4.666 -4.020 1.00 0.00 C ATOM 1223 O PHE A 81 7.937 5.277 -2.983 1.00 0.00 O ATOM 1224 CB PHE A 81 7.268 2.348 -4.614 1.00 0.00 C ATOM 1225 CG PHE A 81 5.979 2.286 -3.786 1.00 0.00 C ATOM 1226 CD1 PHE A 81 5.000 3.278 -3.893 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.731 1.210 -2.932 1.00 0.00 C ATOM 1228 CE1 PHE A 81 3.824 3.193 -3.176 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.559 1.130 -2.210 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.602 2.118 -2.334 1.00 0.00 C ATOM 0 H PHE A 81 8.294 3.333 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 81 9.323 2.981 -4.612 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.029 2.771 -5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.615 1.329 -4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.166 4.122 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.469 0.428 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 81 3.076 3.966 -3.272 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.389 0.294 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.681 2.051 -1.774 1.00 0.00 H new ATOM 1240 N VAL A 82 8.130 5.262 -5.212 1.00 0.00 N ATOM 1241 CA VAL A 82 7.801 6.684 -5.408 1.00 0.00 C ATOM 1242 C VAL A 82 6.652 6.791 -6.419 1.00 0.00 C ATOM 1243 O VAL A 82 6.753 6.252 -7.521 1.00 0.00 O ATOM 1244 CB VAL A 82 9.056 7.493 -5.919 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.700 8.956 -6.250 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.231 7.433 -4.912 1.00 0.00 C ATOM 0 H VAL A 82 8.353 4.773 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 82 7.498 7.114 -4.454 1.00 0.00 H new ATOM 0 HB VAL A 82 9.381 7.010 -6.841 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.592 9.478 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.939 8.978 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.317 9.449 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.074 8.003 -5.303 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.916 7.859 -3.959 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.531 6.396 -4.764 1.00 0.00 H new ATOM 1256 N MET A 83 5.587 7.524 -6.049 1.00 0.00 N ATOM 1257 CA MET A 83 4.366 7.667 -6.863 1.00 0.00 C ATOM 1258 C MET A 83 4.613 8.554 -8.099 1.00 0.00 C ATOM 1259 O MET A 83 5.657 9.207 -8.203 1.00 0.00 O ATOM 1260 CB MET A 83 3.220 8.256 -5.998 1.00 0.00 C ATOM 1261 CG MET A 83 2.663 7.302 -4.939 1.00 0.00 C ATOM 1262 SD MET A 83 1.332 8.054 -3.973 1.00 0.00 S ATOM 1263 CE MET A 83 2.189 9.369 -3.098 1.00 0.00 C ATOM 0 H MET A 83 5.549 8.038 -5.169 1.00 0.00 H new ATOM 0 HA MET A 83 4.078 6.677 -7.218 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.583 9.156 -5.502 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.407 8.561 -6.656 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.292 6.400 -5.425 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.467 6.996 -4.270 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.920 9.339 -2.042 1.00 0.00 H new ATOM 0 HE2 MET A 83 3.266 9.234 -3.202 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.902 10.333 -3.518 1.00 0.00 H new ATOM 1273 N ASP A 84 3.607 8.589 -8.994 1.00 0.00 N ATOM 1274 CA ASP A 84 3.646 9.288 -10.305 1.00 0.00 C ATOM 1275 C ASP A 84 4.018 10.782 -10.188 1.00 0.00 C ATOM 1276 O ASP A 84 4.681 11.336 -11.068 1.00 0.00 O ATOM 1277 CB ASP A 84 2.262 9.127 -10.996 1.00 0.00 C ATOM 1278 CG ASP A 84 2.135 9.849 -12.355 1.00 0.00 C ATOM 1279 OD1 ASP A 84 2.698 9.357 -13.356 1.00 0.00 O ATOM 1280 OD2 ASP A 84 1.482 10.914 -12.422 1.00 0.00 O ATOM 0 H ASP A 84 2.717 8.120 -8.826 1.00 0.00 H new ATOM 0 HA ASP A 84 4.433 8.829 -10.904 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.066 8.065 -11.144 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.490 9.504 -10.326 1.00 0.00 H new ATOM 1285 N ASP A 85 3.601 11.417 -9.080 1.00 0.00 N ATOM 1286 CA ASP A 85 3.823 12.863 -8.841 1.00 0.00 C ATOM 1287 C ASP A 85 5.218 13.167 -8.264 1.00 0.00 C ATOM 1288 O ASP A 85 5.507 14.317 -7.918 1.00 0.00 O ATOM 1289 CB ASP A 85 2.737 13.410 -7.895 1.00 0.00 C ATOM 1290 CG ASP A 85 1.334 13.245 -8.467 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.018 13.913 -9.484 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.540 12.449 -7.924 1.00 0.00 O ATOM 0 H ASP A 85 3.102 10.949 -8.324 1.00 0.00 H new ATOM 0 HA ASP A 85 3.763 13.358 -9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 85 2.799 12.894 -6.937 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.926 14.466 -7.701 1.00 0.00 H new ATOM 1297 N GLY A 86 6.082 12.138 -8.171 1.00 0.00 N ATOM 1298 CA GLY A 86 7.404 12.277 -7.558 1.00 0.00 C ATOM 1299 C GLY A 86 7.377 12.156 -6.034 1.00 0.00 C ATOM 1300 O GLY A 86 8.425 12.231 -5.395 1.00 0.00 O ATOM 0 H GLY A 86 5.881 11.200 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 86 8.068 11.514 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.824 13.245 -7.832 1.00 0.00 H new ATOM 1304 N ARG A 87 6.185 11.922 -5.455 1.00 0.00 N ATOM 1305 CA ARG A 87 5.996 11.836 -3.991 1.00 0.00 C ATOM 1306 C ARG A 87 6.473 10.469 -3.472 1.00 0.00 C ATOM 1307 O ARG A 87 5.928 9.437 -3.869 1.00 0.00 O ATOM 1308 CB ARG A 87 4.506 12.054 -3.651 1.00 0.00 C ATOM 1309 CG ARG A 87 3.937 13.403 -4.128 1.00 0.00 C ATOM 1310 CD ARG A 87 2.432 13.557 -3.857 1.00 0.00 C ATOM 1311 NE ARG A 87 1.893 14.764 -4.521 1.00 0.00 N ATOM 1312 CZ ARG A 87 0.681 14.870 -5.087 1.00 0.00 C ATOM 1313 NH1 ARG A 87 -0.158 13.844 -5.088 1.00 0.00 N ATOM 1314 NH2 ARG A 87 0.321 16.009 -5.657 1.00 0.00 N ATOM 0 H ARG A 87 5.325 11.787 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 87 6.589 12.611 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.922 11.249 -4.097 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.377 11.980 -2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.473 14.212 -3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.119 13.509 -5.197 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.903 12.674 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.257 13.620 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 87 2.495 15.587 -4.551 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.115 12.962 -4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.077 13.937 -5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.964 16.801 -5.665 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.599 16.095 -6.089 1.00 0.00 H new ATOM 1328 N GLU A 88 7.471 10.486 -2.571 1.00 0.00 N ATOM 1329 CA GLU A 88 8.131 9.271 -2.058 1.00 0.00 C ATOM 1330 C GLU A 88 7.240 8.581 -1.002 1.00 0.00 C ATOM 1331 O GLU A 88 6.586 9.249 -0.199 1.00 0.00 O ATOM 1332 CB GLU A 88 9.515 9.658 -1.471 1.00 0.00 C ATOM 1333 CG GLU A 88 10.337 8.503 -0.876 1.00 0.00 C ATOM 1334 CD GLU A 88 11.686 8.961 -0.291 1.00 0.00 C ATOM 1335 OE1 GLU A 88 11.722 9.414 0.876 1.00 0.00 O ATOM 1336 OE2 GLU A 88 12.714 8.895 -0.999 1.00 0.00 O ATOM 0 H GLU A 88 7.845 11.348 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 88 8.282 8.559 -2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 88 10.103 10.130 -2.258 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.362 10.408 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.755 8.016 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 88 10.518 7.757 -1.650 1.00 0.00 H new ATOM 1343 N VAL A 89 7.217 7.240 -1.037 1.00 0.00 N ATOM 1344 CA VAL A 89 6.367 6.388 -0.172 1.00 0.00 C ATOM 1345 C VAL A 89 7.218 5.226 0.372 1.00 0.00 C ATOM 1346 O VAL A 89 7.913 4.553 -0.390 1.00 0.00 O ATOM 1347 CB VAL A 89 5.143 5.807 -0.983 1.00 0.00 C ATOM 1348 CG1 VAL A 89 4.264 4.872 -0.131 1.00 0.00 C ATOM 1349 CG2 VAL A 89 4.293 6.931 -1.599 1.00 0.00 C ATOM 0 H VAL A 89 7.798 6.701 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 89 5.980 6.992 0.648 1.00 0.00 H new ATOM 0 HB VAL A 89 5.565 5.210 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.437 4.500 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.862 4.032 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.870 5.422 0.724 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.459 6.496 -2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.909 7.573 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.908 7.522 -2.278 1.00 0.00 H new ATOM 1359 N ASP A 90 7.158 4.983 1.681 1.00 0.00 N ATOM 1360 CA ASP A 90 7.990 3.966 2.340 1.00 0.00 C ATOM 1361 C ASP A 90 7.144 3.106 3.275 1.00 0.00 C ATOM 1362 O ASP A 90 6.727 3.568 4.337 1.00 0.00 O ATOM 1363 CB ASP A 90 9.123 4.676 3.106 1.00 0.00 C ATOM 1364 CG ASP A 90 10.011 3.734 3.924 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.660 2.858 3.331 1.00 0.00 O ATOM 1366 OD2 ASP A 90 10.091 3.885 5.162 1.00 0.00 O ATOM 0 H ASP A 90 6.535 5.482 2.316 1.00 0.00 H new ATOM 0 HA ASP A 90 8.425 3.301 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.745 5.217 2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.686 5.418 3.775 1.00 0.00 H new ATOM 1371 N VAL A 91 6.901 1.858 2.867 1.00 0.00 N ATOM 1372 CA VAL A 91 6.124 0.886 3.645 1.00 0.00 C ATOM 1373 C VAL A 91 7.096 -0.083 4.336 1.00 0.00 C ATOM 1374 O VAL A 91 7.725 -0.899 3.675 1.00 0.00 O ATOM 1375 CB VAL A 91 5.130 0.057 2.733 1.00 0.00 C ATOM 1376 CG1 VAL A 91 4.111 -0.730 3.592 1.00 0.00 C ATOM 1377 CG2 VAL A 91 4.427 0.949 1.674 1.00 0.00 C ATOM 0 H VAL A 91 7.241 1.489 1.979 1.00 0.00 H new ATOM 0 HA VAL A 91 5.529 1.434 4.376 1.00 0.00 H new ATOM 0 HB VAL A 91 5.725 -0.669 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.441 -1.290 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.643 -1.421 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.530 -0.034 4.197 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.755 0.338 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.855 1.729 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.177 1.407 1.029 1.00 0.00 H new ATOM 1387 N GLN A 92 7.231 0.018 5.655 1.00 0.00 N ATOM 1388 CA GLN A 92 8.054 -0.911 6.448 1.00 0.00 C ATOM 1389 C GLN A 92 7.141 -1.955 7.100 1.00 0.00 C ATOM 1390 O GLN A 92 6.034 -1.641 7.518 1.00 0.00 O ATOM 1391 CB GLN A 92 8.848 -0.142 7.537 1.00 0.00 C ATOM 1392 CG GLN A 92 9.829 0.910 6.981 1.00 0.00 C ATOM 1393 CD GLN A 92 10.694 1.586 8.049 1.00 0.00 C ATOM 1394 OE1 GLN A 92 11.023 0.990 9.070 1.00 0.00 O ATOM 1395 NE2 GLN A 92 11.079 2.829 7.815 1.00 0.00 N ATOM 0 H GLN A 92 6.777 0.743 6.211 1.00 0.00 H new ATOM 0 HA GLN A 92 8.770 -1.407 5.792 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.142 0.353 8.204 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.405 -0.860 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.481 0.432 6.250 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.262 1.675 6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.790 3.299 6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.665 3.317 8.492 1.00 0.00 H new ATOM 1404 N PHE A 93 7.601 -3.208 7.129 1.00 0.00 N ATOM 1405 CA PHE A 93 6.906 -4.323 7.795 1.00 0.00 C ATOM 1406 C PHE A 93 7.781 -4.789 8.960 1.00 0.00 C ATOM 1407 O PHE A 93 8.871 -5.323 8.749 1.00 0.00 O ATOM 1408 CB PHE A 93 6.657 -5.494 6.806 1.00 0.00 C ATOM 1409 CG PHE A 93 5.898 -5.096 5.545 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.572 -4.563 4.445 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.514 -5.235 5.465 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.891 -4.184 3.314 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.832 -4.852 4.328 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.523 -4.330 3.256 1.00 0.00 C ATOM 0 H PHE A 93 8.477 -3.485 6.686 1.00 0.00 H new ATOM 0 HA PHE A 93 5.933 -3.991 8.156 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.617 -5.923 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.100 -6.277 7.320 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.645 -4.447 4.484 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.969 -5.647 6.302 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.427 -3.772 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.759 -4.961 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.989 -4.034 2.365 1.00 0.00 H new ATOM 1424 N ALA A 94 7.333 -4.541 10.182 1.00 0.00 N ATOM 1425 CA ALA A 94 8.048 -4.953 11.390 1.00 0.00 C ATOM 1426 C ALA A 94 7.408 -6.238 11.928 1.00 0.00 C ATOM 1427 O ALA A 94 6.286 -6.194 12.442 1.00 0.00 O ATOM 1428 CB ALA A 94 8.002 -3.825 12.433 1.00 0.00 C ATOM 0 H ALA A 94 6.460 -4.047 10.369 1.00 0.00 H new ATOM 0 HA ALA A 94 9.095 -5.151 11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.536 -4.137 13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.473 -2.931 12.023 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.965 -3.605 12.686 1.00 0.00 H new ATOM 1434 N SER A 95 8.100 -7.379 11.756 1.00 0.00 N ATOM 1435 CA SER A 95 7.648 -8.682 12.283 1.00 0.00 C ATOM 1436 C SER A 95 7.549 -8.649 13.815 1.00 0.00 C ATOM 1437 O SER A 95 8.419 -8.080 14.484 1.00 0.00 O ATOM 1438 CB SER A 95 8.621 -9.792 11.841 1.00 0.00 C ATOM 1439 OG SER A 95 9.959 -9.513 12.232 1.00 0.00 O ATOM 0 H SER A 95 8.985 -7.425 11.250 1.00 0.00 H new ATOM 0 HA SER A 95 6.656 -8.891 11.881 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.308 -10.742 12.273 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.576 -9.904 10.758 1.00 0.00 H new ATOM 0 HG SER A 95 10.545 -10.240 11.935 1.00 0.00 H new ATOM 1445 N GLU A 96 6.486 -9.254 14.355 1.00 0.00 N ATOM 1446 CA GLU A 96 6.223 -9.301 15.806 1.00 0.00 C ATOM 1447 C GLU A 96 5.890 -10.746 16.209 1.00 0.00 C ATOM 1448 O GLU A 96 5.387 -11.506 15.375 1.00 0.00 O ATOM 1449 CB GLU A 96 5.028 -8.385 16.185 1.00 0.00 C ATOM 1450 CG GLU A 96 5.125 -6.954 15.645 1.00 0.00 C ATOM 1451 CD GLU A 96 3.963 -6.064 16.095 1.00 0.00 C ATOM 1452 OE1 GLU A 96 2.868 -6.163 15.512 1.00 0.00 O ATOM 1453 OE2 GLU A 96 4.141 -5.266 17.039 1.00 0.00 O ATOM 0 H GLU A 96 5.776 -9.730 13.798 1.00 0.00 H new ATOM 0 HA GLU A 96 7.112 -8.951 16.331 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.108 -8.838 15.814 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.948 -8.345 17.271 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.064 -6.510 15.975 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.152 -6.984 14.556 1.00 0.00 H new ATOM 1460 N PRO A 97 6.187 -11.170 17.473 1.00 0.00 N ATOM 1461 CA PRO A 97 5.630 -12.418 18.028 1.00 0.00 C ATOM 1462 C PRO A 97 4.090 -12.296 18.163 1.00 0.00 C ATOM 1463 O PRO A 97 3.586 -11.659 19.094 1.00 0.00 O ATOM 1464 CB PRO A 97 6.352 -12.569 19.402 1.00 0.00 C ATOM 1465 CG PRO A 97 7.535 -11.649 19.321 1.00 0.00 C ATOM 1466 CD PRO A 97 7.097 -10.508 18.440 1.00 0.00 C ATOM 0 HA PRO A 97 5.792 -13.295 17.401 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.694 -12.294 20.226 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.664 -13.599 19.573 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.824 -11.293 20.310 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.401 -12.160 18.900 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.587 -9.731 19.009 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.943 -10.035 17.941 1.00 0.00 H new ATOM 1474 N GLY A 98 3.371 -12.831 17.158 1.00 0.00 N ATOM 1475 CA GLY A 98 1.906 -12.793 17.128 1.00 0.00 C ATOM 1476 C GLY A 98 1.341 -11.645 16.306 1.00 0.00 C ATOM 1477 O GLY A 98 0.223 -11.192 16.566 1.00 0.00 O ATOM 0 H GLY A 98 3.790 -13.297 16.353 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.535 -13.735 16.724 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.532 -12.715 18.149 1.00 0.00 H new ATOM 1481 N GLY A 99 2.098 -11.165 15.299 1.00 0.00 N ATOM 1482 CA GLY A 99 1.614 -10.096 14.433 1.00 0.00 C ATOM 1483 C GLY A 99 2.680 -9.472 13.558 1.00 0.00 C ATOM 1484 O GLY A 99 3.789 -9.995 13.435 1.00 0.00 O ATOM 0 H GLY A 99 3.034 -11.502 15.075 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.823 -10.491 13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.167 -9.318 15.051 1.00 0.00 H new ATOM 1488 N THR A 100 2.303 -8.365 12.904 1.00 0.00 N ATOM 1489 CA THR A 100 3.187 -7.551 12.061 1.00 0.00 C ATOM 1490 C THR A 100 2.714 -6.093 12.120 1.00 0.00 C ATOM 1491 O THR A 100 1.576 -5.779 11.736 1.00 0.00 O ATOM 1492 CB THR A 100 3.210 -8.050 10.578 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.721 -9.388 10.534 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.069 -7.154 9.654 1.00 0.00 C ATOM 0 H THR A 100 1.351 -8.002 12.948 1.00 0.00 H new ATOM 0 HA THR A 100 4.205 -7.639 12.441 1.00 0.00 H new ATOM 0 HB THR A 100 2.184 -8.009 10.212 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.003 -10.020 10.747 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.046 -7.551 8.639 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.669 -6.140 9.656 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.097 -7.139 10.015 1.00 0.00 H new ATOM 1502 N TRP A 101 3.580 -5.220 12.639 1.00 0.00 N ATOM 1503 CA TRP A 101 3.342 -3.780 12.696 1.00 0.00 C ATOM 1504 C TRP A 101 3.793 -3.152 11.370 1.00 0.00 C ATOM 1505 O TRP A 101 4.994 -2.978 11.139 1.00 0.00 O ATOM 1506 CB TRP A 101 4.124 -3.181 13.887 1.00 0.00 C ATOM 1507 CG TRP A 101 3.818 -1.740 14.202 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.611 -1.102 14.071 1.00 0.00 C ATOM 1509 CD2 TRP A 101 4.726 -0.770 14.739 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.719 0.188 14.492 1.00 0.00 N ATOM 1511 CE2 TRP A 101 4.003 0.421 14.905 1.00 0.00 C ATOM 1512 CE3 TRP A 101 6.078 -0.793 15.094 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.581 1.580 15.416 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.653 0.356 15.599 1.00 0.00 C ATOM 1515 CH2 TRP A 101 5.905 1.530 15.758 1.00 0.00 C ATOM 0 H TRP A 101 4.477 -5.499 13.036 1.00 0.00 H new ATOM 0 HA TRP A 101 2.282 -3.572 12.842 1.00 0.00 H new ATOM 0 HB2 TRP A 101 3.918 -3.781 14.774 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.191 -3.272 13.682 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.708 -1.556 13.690 1.00 0.00 H new ATOM 0 HE1 TRP A 101 1.963 0.873 14.499 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.662 -1.694 14.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 4.005 2.486 15.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.697 0.350 15.876 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.382 2.412 16.158 1.00 0.00 H new ATOM 1526 N VAL A 102 2.835 -2.844 10.492 1.00 0.00 N ATOM 1527 CA VAL A 102 3.129 -2.221 9.203 1.00 0.00 C ATOM 1528 C VAL A 102 3.154 -0.695 9.384 1.00 0.00 C ATOM 1529 O VAL A 102 2.148 -0.087 9.739 1.00 0.00 O ATOM 1530 CB VAL A 102 2.082 -2.613 8.092 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.515 -2.067 6.706 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.854 -4.150 8.047 1.00 0.00 C ATOM 0 H VAL A 102 1.843 -3.018 10.654 1.00 0.00 H new ATOM 0 HA VAL A 102 4.100 -2.584 8.866 1.00 0.00 H new ATOM 0 HB VAL A 102 1.130 -2.149 8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.776 -2.351 5.956 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.589 -0.980 6.750 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.485 -2.486 6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.127 -4.387 7.271 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.796 -4.651 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.479 -4.491 9.012 1.00 0.00 H new ATOM 1542 N GLN A 103 4.331 -0.122 9.143 1.00 0.00 N ATOM 1543 CA GLN A 103 4.587 1.320 9.166 1.00 0.00 C ATOM 1544 C GLN A 103 4.601 1.837 7.728 1.00 0.00 C ATOM 1545 O GLN A 103 4.900 1.086 6.797 1.00 0.00 O ATOM 1546 CB GLN A 103 5.961 1.594 9.855 1.00 0.00 C ATOM 1547 CG GLN A 103 5.931 1.619 11.402 1.00 0.00 C ATOM 1548 CD GLN A 103 5.516 2.974 12.018 1.00 0.00 C ATOM 1549 OE1 GLN A 103 5.951 3.316 13.107 1.00 0.00 O ATOM 1550 NE2 GLN A 103 4.684 3.758 11.338 1.00 0.00 N ATOM 0 H GLN A 103 5.164 -0.667 8.918 1.00 0.00 H new ATOM 0 HA GLN A 103 3.807 1.834 9.728 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.669 0.830 9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.343 2.551 9.500 1.00 0.00 H new ATOM 0 HG2 GLN A 103 5.241 0.850 11.751 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.920 1.353 11.775 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.329 3.459 10.430 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.401 4.658 11.725 1.00 0.00 H new ATOM 1559 N GLU A 104 4.236 3.107 7.555 1.00 0.00 N ATOM 1560 CA GLU A 104 4.203 3.753 6.243 1.00 0.00 C ATOM 1561 C GLU A 104 4.430 5.272 6.435 1.00 0.00 C ATOM 1562 O GLU A 104 3.953 5.847 7.414 1.00 0.00 O ATOM 1563 CB GLU A 104 2.841 3.422 5.544 1.00 0.00 C ATOM 1564 CG GLU A 104 2.853 3.393 4.005 1.00 0.00 C ATOM 1565 CD GLU A 104 3.254 4.724 3.360 1.00 0.00 C ATOM 1566 OE1 GLU A 104 2.412 5.634 3.283 1.00 0.00 O ATOM 1567 OE2 GLU A 104 4.434 4.873 2.979 1.00 0.00 O ATOM 0 H GLU A 104 3.954 3.718 8.322 1.00 0.00 H new ATOM 0 HA GLU A 104 4.995 3.382 5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.500 2.450 5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.104 4.157 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.542 2.617 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.862 3.113 3.649 1.00 0.00 H new ATOM 1574 N THR A 105 5.221 5.895 5.544 1.00 0.00 N ATOM 1575 CA THR A 105 5.386 7.357 5.482 1.00 0.00 C ATOM 1576 C THR A 105 5.413 7.802 4.009 1.00 0.00 C ATOM 1577 O THR A 105 6.261 7.339 3.233 1.00 0.00 O ATOM 1578 CB THR A 105 6.679 7.833 6.226 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.682 7.334 7.576 1.00 0.00 O ATOM 1580 CG2 THR A 105 6.797 9.373 6.268 1.00 0.00 C ATOM 0 H THR A 105 5.767 5.395 4.843 1.00 0.00 H new ATOM 0 HA THR A 105 4.540 7.819 5.991 1.00 0.00 H new ATOM 0 HB THR A 105 7.529 7.439 5.669 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.338 8.024 8.181 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.709 9.654 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.830 9.763 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.935 9.790 6.789 1.00 0.00 H new ATOM 1588 N PHE A 106 4.502 8.718 3.640 1.00 0.00 N ATOM 1589 CA PHE A 106 4.320 9.181 2.253 1.00 0.00 C ATOM 1590 C PHE A 106 4.344 10.718 2.228 1.00 0.00 C ATOM 1591 O PHE A 106 3.975 11.357 3.218 1.00 0.00 O ATOM 1592 CB PHE A 106 2.976 8.647 1.670 1.00 0.00 C ATOM 1593 CG PHE A 106 1.696 9.180 2.362 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.244 8.633 3.566 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.956 10.231 1.804 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.107 9.113 4.184 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.182 10.711 2.427 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.607 10.152 3.615 1.00 0.00 C ATOM 0 H PHE A 106 3.865 9.162 4.302 1.00 0.00 H new ATOM 0 HA PHE A 106 5.131 8.796 1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.931 8.904 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.978 7.559 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.793 7.822 4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.279 10.673 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.226 8.676 5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.738 11.524 1.983 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.497 10.526 4.100 1.00 0.00 H new ATOM 1608 N ASP A 107 4.771 11.304 1.093 1.00 0.00 N ATOM 1609 CA ASP A 107 4.687 12.764 0.876 1.00 0.00 C ATOM 1610 C ASP A 107 3.231 13.140 0.596 1.00 0.00 C ATOM 1611 O ASP A 107 2.638 12.652 -0.377 1.00 0.00 O ATOM 1612 CB ASP A 107 5.601 13.233 -0.289 1.00 0.00 C ATOM 1613 CG ASP A 107 7.092 13.134 0.049 1.00 0.00 C ATOM 1614 OD1 ASP A 107 7.625 12.009 0.081 1.00 0.00 O ATOM 1615 OD2 ASP A 107 7.741 14.178 0.286 1.00 0.00 O ATOM 0 H ASP A 107 5.178 10.790 0.311 1.00 0.00 H new ATOM 0 HA ASP A 107 5.038 13.268 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.393 12.630 -1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.358 14.265 -0.542 1.00 0.00 H new ATOM 1620 N ALA A 108 2.665 13.993 1.465 1.00 0.00 N ATOM 1621 CA ALA A 108 1.261 14.410 1.389 1.00 0.00 C ATOM 1622 C ALA A 108 1.055 15.404 0.237 1.00 0.00 C ATOM 1623 O ALA A 108 1.899 16.266 0.011 1.00 0.00 O ATOM 1624 CB ALA A 108 0.822 15.021 2.735 1.00 0.00 C ATOM 0 H ALA A 108 3.174 14.413 2.243 1.00 0.00 H new ATOM 0 HA ALA A 108 0.641 13.536 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.222 15.329 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.934 14.279 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.443 15.888 2.961 1.00 0.00 H new ATOM 1630 N GLU A 109 -0.080 15.265 -0.468 1.00 0.00 N ATOM 1631 CA GLU A 109 -0.477 16.130 -1.588 1.00 0.00 C ATOM 1632 C GLU A 109 -0.745 17.556 -1.069 1.00 0.00 C ATOM 1633 O GLU A 109 -1.654 17.761 -0.261 1.00 0.00 O ATOM 1634 CB GLU A 109 -1.732 15.535 -2.289 1.00 0.00 C ATOM 1635 CG GLU A 109 -2.266 16.370 -3.469 1.00 0.00 C ATOM 1636 CD GLU A 109 -3.309 15.629 -4.322 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -2.916 14.729 -5.100 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -4.516 15.947 -4.238 1.00 0.00 O ATOM 0 H GLU A 109 -0.761 14.532 -0.270 1.00 0.00 H new ATOM 0 HA GLU A 109 0.327 16.182 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -1.491 14.535 -2.649 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.526 15.425 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -2.710 17.288 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.430 16.663 -4.104 1.00 0.00 H new ATOM 1688 N THR A 113 -6.240 18.211 1.582 1.00 0.00 N ATOM 1689 CA THR A 113 -6.214 18.237 3.055 1.00 0.00 C ATOM 1690 C THR A 113 -5.438 17.011 3.612 1.00 0.00 C ATOM 1691 O THR A 113 -5.866 15.861 3.381 1.00 0.00 O ATOM 1692 CB THR A 113 -7.668 18.244 3.618 1.00 0.00 C ATOM 1693 OG1 THR A 113 -8.419 17.193 2.997 1.00 0.00 O ATOM 1694 CG2 THR A 113 -8.373 19.589 3.385 1.00 0.00 C ATOM 0 HA THR A 113 -5.703 19.146 3.373 1.00 0.00 H new ATOM 0 HB THR A 113 -7.611 18.087 4.695 1.00 0.00 H new ATOM 0 HG1 THR A 113 -8.029 16.985 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 113 -9.383 19.546 3.794 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.814 20.383 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 113 -8.423 19.793 2.315 1.00 0.00 H new ATOM 1702 N PRO A 114 -4.271 17.243 4.319 1.00 0.00 N ATOM 1703 CA PRO A 114 -3.401 16.165 4.844 1.00 0.00 C ATOM 1704 C PRO A 114 -4.142 15.122 5.719 1.00 0.00 C ATOM 1705 O PRO A 114 -3.935 13.929 5.548 1.00 0.00 O ATOM 1706 CB PRO A 114 -2.330 16.934 5.662 1.00 0.00 C ATOM 1707 CG PRO A 114 -2.277 18.286 5.039 1.00 0.00 C ATOM 1708 CD PRO A 114 -3.702 18.587 4.642 1.00 0.00 C ATOM 0 HA PRO A 114 -2.990 15.561 4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.604 16.994 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -1.361 16.437 5.612 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.897 19.029 5.740 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -1.615 18.296 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.250 19.070 5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.746 19.257 3.783 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.998 15.585 6.647 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.745 14.697 7.576 1.00 0.00 C ATOM 1718 C ALA A 115 -6.649 13.685 6.831 1.00 0.00 C ATOM 1719 O ALA A 115 -6.747 12.523 7.243 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.563 15.532 8.576 1.00 0.00 C ATOM 0 H ALA A 115 -5.196 16.577 6.779 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.007 14.112 8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.104 14.867 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.892 16.166 9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.274 16.156 8.034 1.00 0.00 H new ATOM 1726 N GLN A 116 -7.300 14.140 5.739 1.00 0.00 N ATOM 1727 CA GLN A 116 -8.108 13.260 4.861 1.00 0.00 C ATOM 1728 C GLN A 116 -7.224 12.198 4.188 1.00 0.00 C ATOM 1729 O GLN A 116 -7.644 11.053 4.011 1.00 0.00 O ATOM 1730 CB GLN A 116 -8.849 14.089 3.777 1.00 0.00 C ATOM 1731 CG GLN A 116 -9.735 13.257 2.813 1.00 0.00 C ATOM 1732 CD GLN A 116 -10.928 12.557 3.472 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -11.503 13.052 4.437 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -11.300 11.391 2.962 1.00 0.00 N ATOM 0 H GLN A 116 -7.283 15.116 5.442 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.847 12.758 5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.474 14.832 4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.111 14.635 3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -10.107 13.914 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.112 12.504 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -10.804 11.004 2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.083 10.881 3.372 1.00 0.00 H new ATOM 1743 N GLN A 117 -6.001 12.610 3.806 1.00 0.00 N ATOM 1744 CA GLN A 117 -5.021 11.706 3.167 1.00 0.00 C ATOM 1745 C GLN A 117 -4.527 10.641 4.149 1.00 0.00 C ATOM 1746 O GLN A 117 -4.337 9.499 3.773 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.808 12.485 2.646 1.00 0.00 C ATOM 1748 CG GLN A 117 -4.141 13.694 1.773 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.885 14.397 1.304 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.873 13.749 1.070 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.917 15.713 1.226 1.00 0.00 N ATOM 0 H GLN A 117 -5.665 13.565 3.928 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.533 11.225 2.334 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -3.219 12.823 3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.178 11.805 2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.724 13.372 0.910 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.762 14.391 2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.781 16.215 1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.077 16.229 0.962 1.00 0.00 H new ATOM 1760 N GLN A 118 -4.276 11.056 5.402 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.878 10.147 6.487 1.00 0.00 C ATOM 1762 C GLN A 118 -4.968 9.090 6.710 1.00 0.00 C ATOM 1763 O GLN A 118 -4.677 7.904 6.813 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.616 10.941 7.797 1.00 0.00 C ATOM 1765 CG GLN A 118 -3.232 10.058 9.007 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.805 10.839 10.252 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -3.251 11.967 10.487 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -1.934 10.246 11.062 1.00 0.00 N ATOM 0 H GLN A 118 -4.344 12.032 5.690 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.953 9.646 6.202 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.817 11.661 7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.510 11.512 8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -4.082 9.426 9.264 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.419 9.394 8.713 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.584 9.314 10.840 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -1.615 10.723 11.905 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.224 9.557 6.742 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.410 8.696 6.892 1.00 0.00 C ATOM 1779 C ALA A 119 -7.611 7.796 5.653 1.00 0.00 C ATOM 1780 O ALA A 119 -8.112 6.675 5.763 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.653 9.565 7.150 1.00 0.00 C ATOM 0 H ALA A 119 -6.449 10.549 6.664 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.255 8.038 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.528 8.925 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.509 10.144 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.803 10.243 6.310 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.215 8.320 4.476 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.340 7.609 3.203 1.00 0.00 C ATOM 1789 C GLY A 120 -6.367 6.448 3.088 1.00 0.00 C ATOM 1790 O GLY A 120 -6.770 5.313 2.861 1.00 0.00 O ATOM 0 H GLY A 120 -6.801 9.248 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.359 7.237 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -7.168 8.306 2.383 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.085 6.753 3.278 1.00 0.00 N ATOM 1795 CA TRP A 121 -3.979 5.778 3.198 1.00 0.00 C ATOM 1796 C TRP A 121 -4.048 4.741 4.323 1.00 0.00 C ATOM 1797 O TRP A 121 -3.783 3.560 4.092 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.629 6.520 3.241 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.241 7.164 1.940 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.808 8.257 1.345 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.172 6.751 1.085 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.159 8.542 0.176 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.149 7.631 -0.005 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.228 5.720 1.146 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.228 7.509 -1.032 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 0.688 5.599 0.128 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.687 6.494 -0.948 1.00 0.00 C ATOM 0 H TRP A 121 -4.771 7.699 3.496 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.074 5.241 2.254 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.672 7.287 4.015 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.849 5.817 3.533 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.645 8.813 1.740 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.388 9.307 -0.458 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.219 5.031 1.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -0.231 8.191 -1.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 1.418 4.803 0.159 1.00 0.00 H new ATOM 0 HH2 TRP A 121 1.424 6.382 -1.729 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.378 5.200 5.542 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.624 4.299 6.686 1.00 0.00 C ATOM 1820 C GLN A 122 -5.908 3.489 6.437 1.00 0.00 C ATOM 1821 O GLN A 122 -6.057 2.391 6.950 1.00 0.00 O ATOM 1822 CB GLN A 122 -4.713 5.099 8.017 1.00 0.00 C ATOM 1823 CG GLN A 122 -4.862 4.248 9.297 1.00 0.00 C ATOM 1824 CD GLN A 122 -3.723 3.245 9.526 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -2.590 3.452 9.114 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.011 2.167 10.224 1.00 0.00 N ATOM 0 H GLN A 122 -4.481 6.190 5.763 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.786 3.608 6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -3.817 5.713 8.112 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.561 5.781 7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -4.922 4.915 10.157 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -5.805 3.704 9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.963 2.015 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.282 1.484 10.431 1.00 0.00 H new ATOM 1835 N GLY A 123 -6.819 4.071 5.640 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.001 3.371 5.144 1.00 0.00 C ATOM 1837 C GLY A 123 -7.653 2.233 4.185 1.00 0.00 C ATOM 1838 O GLY A 123 -8.300 1.195 4.210 1.00 0.00 O ATOM 0 H GLY A 123 -6.751 5.039 5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.562 2.970 5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.653 4.082 4.636 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.624 2.451 3.335 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.110 1.438 2.378 1.00 0.00 C ATOM 1844 C ILE A 124 -5.387 0.309 3.139 1.00 0.00 C ATOM 1845 O ILE A 124 -5.567 -0.872 2.837 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.103 2.085 1.340 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -5.775 3.264 0.564 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.544 1.025 0.348 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -4.857 4.044 -0.367 1.00 0.00 C ATOM 0 H ILE A 124 -6.123 3.338 3.291 1.00 0.00 H new ATOM 0 HA ILE A 124 -6.964 1.035 1.834 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.263 2.484 1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -6.603 2.865 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.202 3.957 1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -3.857 1.505 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.015 0.250 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.368 0.576 -0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -5.423 4.838 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.041 4.481 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -4.449 3.372 -1.122 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.571 0.712 4.128 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.749 -0.208 4.936 1.00 0.00 C ATOM 1863 C LEU A 125 -4.641 -1.062 5.855 1.00 0.00 C ATOM 1864 O LEU A 125 -4.379 -2.252 6.066 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.699 0.593 5.762 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.694 -0.253 6.618 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.931 -1.287 5.741 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.712 0.668 7.402 1.00 0.00 C ATOM 0 H LEU A 125 -4.462 1.691 4.392 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.214 -0.882 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.124 1.213 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.233 1.268 6.430 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.273 -0.816 7.350 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.243 -1.856 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.645 -1.966 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.370 -0.764 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.027 0.055 7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.144 1.277 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.277 1.318 8.070 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.697 -0.430 6.394 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.704 -1.113 7.222 1.00 0.00 C ATOM 1882 C ASP A 126 -7.595 -2.009 6.351 1.00 0.00 C ATOM 1883 O ASP A 126 -8.015 -3.060 6.795 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.573 -0.106 8.015 1.00 0.00 C ATOM 1885 CG ASP A 126 -8.486 -0.799 9.043 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -7.964 -1.282 10.072 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.711 -0.884 8.827 1.00 0.00 O ATOM 0 H ASP A 126 -5.876 0.566 6.268 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.170 -1.732 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.924 0.603 8.529 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -8.185 0.468 7.319 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.851 -1.587 5.101 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.676 -2.363 4.135 1.00 0.00 C ATOM 1894 C ASN A 127 -7.926 -3.653 3.748 1.00 0.00 C ATOM 1895 O ASN A 127 -8.518 -4.732 3.620 1.00 0.00 O ATOM 1896 CB ASN A 127 -8.976 -1.490 2.884 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.085 -2.019 1.965 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.299 -3.224 1.829 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -10.804 -1.106 1.317 1.00 0.00 N ATOM 0 H ASN A 127 -7.499 -0.706 4.726 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.627 -2.639 4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.250 -0.489 3.217 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.060 -1.392 2.301 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -11.553 -1.398 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -10.606 -0.114 1.448 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.603 -3.491 3.585 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.655 -4.589 3.386 1.00 0.00 C ATOM 1908 C PHE A 128 -5.720 -5.560 4.579 1.00 0.00 C ATOM 1909 O PHE A 128 -5.876 -6.756 4.387 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.213 -4.020 3.204 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.112 -5.090 3.215 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -2.981 -5.977 2.155 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.230 -5.216 4.289 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.014 -6.950 2.162 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.257 -6.197 4.294 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.148 -7.063 3.229 1.00 0.00 C ATOM 0 H PHE A 128 -6.158 -2.573 3.589 1.00 0.00 H new ATOM 0 HA PHE A 128 -5.921 -5.139 2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.165 -3.474 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.014 -3.301 3.999 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -3.651 -5.900 1.312 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.309 -4.539 5.126 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -1.931 -7.631 1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.582 -6.285 5.133 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.386 -7.829 3.229 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.618 -5.003 5.799 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.658 -5.767 7.065 1.00 0.00 C ATOM 1928 C LYS A 129 -6.952 -6.597 7.184 1.00 0.00 C ATOM 1929 O LYS A 129 -6.901 -7.788 7.495 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.534 -4.797 8.272 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.788 -5.454 9.647 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.699 -4.471 10.832 1.00 0.00 C ATOM 1933 CE LYS A 129 -6.126 -5.137 12.149 1.00 0.00 C ATOM 1934 NZ LYS A 129 -5.966 -4.234 13.309 1.00 0.00 N ATOM 0 H LYS A 129 -5.504 -3.999 5.938 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.816 -6.460 7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.535 -4.360 8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.240 -3.978 8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.776 -5.914 9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -5.064 -6.255 9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.678 -4.102 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -6.334 -3.607 10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -7.168 -5.450 12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.533 -6.038 12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.584 -4.551 14.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -4.976 -4.250 13.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.225 -3.265 13.033 1.00 0.00 H new ATOM 1948 N ARG A 130 -8.100 -5.945 6.918 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.434 -6.576 7.006 1.00 0.00 C ATOM 1950 C ARG A 130 -9.537 -7.753 6.027 1.00 0.00 C ATOM 1951 O ARG A 130 -10.144 -8.765 6.348 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.577 -5.548 6.745 1.00 0.00 C ATOM 1953 CG ARG A 130 -10.667 -4.392 7.774 1.00 0.00 C ATOM 1954 CD ARG A 130 -11.923 -3.506 7.599 1.00 0.00 C ATOM 1955 NE ARG A 130 -12.114 -3.032 6.208 1.00 0.00 N ATOM 1956 CZ ARG A 130 -11.872 -1.790 5.751 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -11.379 -0.853 6.546 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -12.147 -1.495 4.493 1.00 0.00 N ATOM 0 H ARG A 130 -8.130 -4.965 6.636 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.554 -6.951 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.440 -5.120 5.752 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.528 -6.080 6.735 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -10.665 -4.811 8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -9.777 -3.768 7.687 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.803 -4.070 7.908 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -11.847 -2.644 8.262 1.00 0.00 H new ATOM 0 HE ARG A 130 -12.462 -3.712 5.533 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -11.176 -1.067 7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -11.202 0.083 6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.540 -2.206 3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -11.967 -0.556 4.138 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.914 -7.594 4.851 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.872 -8.634 3.810 1.00 0.00 C ATOM 1974 C TYR A 131 -7.985 -9.825 4.255 1.00 0.00 C ATOM 1975 O TYR A 131 -8.382 -10.988 4.112 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.363 -8.020 2.479 1.00 0.00 C ATOM 1977 CG TYR A 131 -8.280 -9.036 1.321 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -9.431 -9.447 0.636 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -7.062 -9.600 0.936 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -9.363 -10.372 -0.383 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.998 -10.525 -0.084 1.00 0.00 C ATOM 1982 CZ TYR A 131 -8.145 -10.908 -0.738 1.00 0.00 C ATOM 1983 OH TYR A 131 -8.077 -11.821 -1.769 1.00 0.00 O ATOM 0 H TYR A 131 -8.423 -6.738 4.593 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.879 -9.020 3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -9.025 -7.204 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.376 -7.587 2.642 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -10.389 -9.031 0.912 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -6.156 -9.307 1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -10.261 -10.675 -0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -6.047 -10.949 -0.369 1.00 0.00 H new ATOM 0 HH TYR A 131 -7.147 -12.103 -1.896 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.796 -9.502 4.805 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.799 -10.499 5.266 1.00 0.00 C ATOM 1995 C VAL A 132 -6.392 -11.394 6.359 1.00 0.00 C ATOM 1996 O VAL A 132 -6.213 -12.610 6.328 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.479 -9.800 5.801 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.505 -10.793 6.496 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.757 -9.060 4.661 1.00 0.00 C ATOM 0 H VAL A 132 -6.496 -8.537 4.944 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.535 -11.114 4.406 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.795 -9.082 6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.622 -10.255 6.840 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.003 -11.255 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.206 -11.566 5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.854 -8.587 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.488 -9.770 3.879 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.417 -8.298 4.247 1.00 0.00 H new ATOM 2009 N GLU A 133 -7.112 -10.767 7.300 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.724 -11.459 8.446 1.00 0.00 C ATOM 2011 C GLU A 133 -9.112 -12.040 8.090 1.00 0.00 C ATOM 2012 O GLU A 133 -9.623 -12.897 8.812 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.801 -10.497 9.657 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.442 -9.869 10.054 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.516 -8.984 11.310 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -7.398 -8.107 11.375 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.684 -9.154 12.232 1.00 0.00 O ATOM 0 H GLU A 133 -7.288 -9.762 7.289 1.00 0.00 H new ATOM 0 HA GLU A 133 -7.094 -12.307 8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.505 -9.697 9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -8.202 -11.039 10.513 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.719 -10.666 10.224 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -6.070 -9.273 9.221 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.709 -11.586 6.965 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.965 -12.182 6.429 1.00 0.00 C ATOM 2026 C ALA A 134 -10.678 -13.577 5.871 1.00 0.00 C ATOM 2027 O ALA A 134 -11.503 -14.484 5.965 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.585 -11.296 5.337 1.00 0.00 C ATOM 0 H ALA A 134 -9.347 -10.812 6.409 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.682 -12.256 7.247 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.500 -11.760 4.968 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.818 -10.316 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.878 -11.183 4.515 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.486 -13.705 5.273 1.00 0.00 N ATOM 2035 CA ALA A 135 -8.943 -14.984 4.805 1.00 0.00 C ATOM 2036 C ALA A 135 -8.277 -15.711 5.982 1.00 0.00 C ATOM 2037 O ALA A 135 -8.345 -16.937 6.100 1.00 0.00 O ATOM 2038 CB ALA A 135 -7.935 -14.731 3.666 1.00 0.00 C ATOM 0 H ALA A 135 -8.866 -12.914 5.099 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.744 -15.613 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.532 -15.682 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.438 -14.227 2.841 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.122 -14.104 4.032 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.612 -14.912 6.847 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.805 -15.409 7.971 1.00 0.00 C ATOM 2046 C GLY A 136 -5.580 -16.204 7.532 1.00 0.00 C ATOM 2047 O GLY A 136 -4.854 -16.725 8.371 1.00 0.00 O ATOM 0 H GLY A 136 -7.624 -13.894 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -6.482 -14.564 8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.429 -16.038 8.606 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.367 -16.285 6.193 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.478 -17.270 5.529 1.00 0.00 C ATOM 2053 C LEU A 137 -4.863 -18.735 5.885 1.00 0.00 C ATOM 2054 O LEU A 137 -4.103 -19.665 5.634 1.00 0.00 O ATOM 2055 CB LEU A 137 -2.974 -16.957 5.782 1.00 0.00 C ATOM 2056 CG LEU A 137 -2.386 -15.716 5.018 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -2.530 -15.858 3.481 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -2.980 -14.371 5.505 1.00 0.00 C ATOM 0 H LEU A 137 -5.819 -15.653 5.532 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.631 -17.172 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.832 -16.800 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.390 -17.836 5.508 1.00 0.00 H new ATOM 0 HG LEU A 137 -1.323 -15.700 5.257 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -2.111 -14.978 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -1.996 -16.747 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -3.585 -15.949 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -2.536 -13.551 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.059 -14.373 5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -2.764 -14.240 6.565 1.00 0.00 H new