USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 766 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 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: D 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 82:sc=-0.000252 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -51:sc= 0.974 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -91:sc= 0.268 USER MOD Single : A 27 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-1.2) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 11 CYS SG : rot 87:sc= 0.0368 USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 16 SER OG : rot -50:sc= 0.972 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot -91:sc= 0.205 USER MOD Single : B 27 HIS : no HD1:sc= -0.191 K(o=-0.19,f=-1.2) USER MOD Single : C 6 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : C 9 SER OG : rot 180:sc= 0 USER MOD Single : C 11 CYS SG : rot 86:sc= -0.0146 USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 16 SER OG : rot -46:sc= 0.985 USER MOD Single : C 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 24 THR OG1 : rot -93:sc= 0.346 USER MOD Single : C 27 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-1) USER MOD Single : D 6 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : D 9 SER OG : rot 180:sc= 0 USER MOD Single : D 11 CYS SG : rot 85:sc= 0.112 USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 16 SER OG : rot -53:sc= 0.933 USER MOD Single : D 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 24 THR OG1 : rot -97:sc= 0.225 USER MOD Single : D 27 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 69 N PHE A 5 8.766 12.291 6.248 1.00 0.00 N0 ATOM 70 CA PHE A 5 9.758 11.270 5.951 1.00 0.00 C0 ATOM 71 C PHE A 5 10.506 11.625 4.677 1.00 0.00 C0 ATOM 72 O PHE A 5 11.707 11.384 4.566 1.00 0.00 O0 ATOM 73 CB PHE A 5 9.080 9.909 5.789 1.00 0.00 C0 ATOM 74 CG PHE A 5 9.635 9.212 4.567 1.00 0.00 C0 ATOM 75 CD1 PHE A 5 10.885 8.582 4.619 1.00 0.00 C0 ATOM 76 CD2 PHE A 5 8.894 9.198 3.379 1.00 0.00 C0 ATOM 77 CE1 PHE A 5 11.391 7.936 3.484 1.00 0.00 C0 ATOM 78 CE2 PHE A 5 9.401 8.554 2.245 1.00 0.00 C0 ATOM 79 CZ PHE A 5 10.649 7.922 2.297 1.00 0.00 C0 ATOM 0 HA PHE A 5 10.466 11.219 6.778 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.248 9.299 6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 5 8.002 10.037 5.690 1.00 0.00 H new ATOM 0 HD1 PHE A 5 11.458 8.594 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.931 9.685 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 5 12.354 7.449 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.829 8.544 1.329 1.00 0.00 H new ATOM 0 HZ PHE A 5 11.039 7.424 1.422 1.00 0.00 H new ATOM 89 N GLN A 6 9.789 12.196 3.716 1.00 0.00 N0 ATOM 90 CA GLN A 6 10.408 12.570 2.453 1.00 0.00 C0 ATOM 91 C GLN A 6 11.523 13.586 2.672 1.00 0.00 C0 ATOM 92 O GLN A 6 12.585 13.497 2.055 1.00 0.00 O0 ATOM 93 CB GLN A 6 9.360 13.155 1.506 1.00 0.00 C0 ATOM 94 CG GLN A 6 10.029 13.539 0.184 1.00 0.00 C0 ATOM 95 CD GLN A 6 8.983 14.027 -0.811 1.00 0.00 C0 ATOM 96 OE1 GLN A 6 8.161 14.883 -0.481 1.00 0.00 O0 ATOM 97 NE2 GLN A 6 8.963 13.529 -2.018 1.00 0.00 N0 ATOM 0 H GLN A 6 8.794 12.407 3.786 1.00 0.00 H new ATOM 0 HA GLN A 6 10.838 11.672 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 6 8.568 12.428 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 6 8.893 14.030 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 6 10.770 14.319 0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.560 12.680 -0.227 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.645 12.820 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.266 13.849 -2.690 1.00 0.00 H new ATOM 106 N ILE A 7 11.270 14.556 3.540 1.00 0.00 N0 ATOM 107 CA ILE A 7 12.258 15.593 3.821 1.00 0.00 C0 ATOM 108 C ILE A 7 13.509 15.004 4.464 1.00 0.00 C0 ATOM 109 O ILE A 7 14.623 15.277 4.030 1.00 0.00 O0 ATOM 110 CB ILE A 7 11.662 16.627 4.767 1.00 0.00 C0 ATOM 111 CG1 ILE A 7 10.504 17.336 4.073 1.00 0.00 C0 ATOM 112 CG2 ILE A 7 12.731 17.653 5.142 1.00 0.00 C0 ATOM 113 CD1 ILE A 7 9.724 18.142 5.105 1.00 0.00 C0 ATOM 0 H ILE A 7 10.397 14.648 4.059 1.00 0.00 H new ATOM 0 HA ILE A 7 12.534 16.058 2.875 1.00 0.00 H new ATOM 0 HB ILE A 7 11.302 16.131 5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 7 10.881 17.993 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.851 16.608 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 7 12.304 18.393 5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.563 17.149 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 7 13.090 18.150 4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.894 18.652 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.337 17.472 5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.383 18.879 5.565 1.00 0.00 H new ATOM 125 N LEU A 8 13.320 14.208 5.509 1.00 0.00 N0 ATOM 126 CA LEU A 8 14.445 13.602 6.211 1.00 0.00 C0 ATOM 127 C LEU A 8 15.192 12.635 5.301 1.00 0.00 C0 ATOM 128 O LEU A 8 16.417 12.526 5.367 1.00 0.00 O0 ATOM 129 CB LEU A 8 13.943 12.846 7.443 1.00 0.00 C0 ATOM 130 CG LEU A 8 15.126 12.507 8.352 1.00 0.00 C0 ATOM 131 CD1 LEU A 8 15.420 13.698 9.266 1.00 0.00 C0 ATOM 132 CD2 LEU A 8 14.789 11.279 9.201 1.00 0.00 C0 ATOM 0 H LEU A 8 12.404 13.968 5.888 1.00 0.00 H new ATOM 0 HA LEU A 8 15.125 14.397 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.217 13.453 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.431 11.933 7.139 1.00 0.00 H new ATOM 0 HG LEU A 8 16.003 12.291 7.741 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.263 13.459 9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.665 14.570 8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.543 13.914 9.875 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.634 11.040 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.912 11.489 9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.581 10.431 8.548 1.00 0.00 H new ATOM 144 N SER A 9 14.441 11.936 4.459 1.00 0.00 N0 ATOM 145 CA SER A 9 15.029 10.974 3.542 1.00 0.00 C0 ATOM 146 C SER A 9 15.926 11.665 2.514 1.00 0.00 C0 ATOM 147 O SER A 9 17.076 11.274 2.322 1.00 0.00 O0 ATOM 148 CB SER A 9 13.922 10.213 2.822 1.00 0.00 C0 ATOM 149 OG SER A 9 14.500 9.274 1.926 1.00 0.00 O0 ATOM 0 H SER A 9 13.426 12.018 4.394 1.00 0.00 H new ATOM 0 HA SER A 9 15.642 10.282 4.120 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.289 9.700 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.284 10.908 2.276 1.00 0.00 H new ATOM 0 HG SER A 9 13.789 8.783 1.463 1.00 0.00 H new ATOM 155 N ILE A 10 15.391 12.686 1.856 1.00 0.00 N0 ATOM 156 CA ILE A 10 16.155 13.407 0.847 1.00 0.00 C0 ATOM 157 C ILE A 10 17.263 14.244 1.489 1.00 0.00 C0 ATOM 158 O ILE A 10 18.316 14.456 0.886 1.00 0.00 O0 ATOM 159 CB ILE A 10 15.219 14.291 0.013 1.00 0.00 C0 ATOM 160 CG1 ILE A 10 15.957 14.790 -1.230 1.00 0.00 C0 ATOM 161 CG2 ILE A 10 14.750 15.487 0.841 1.00 0.00 C0 ATOM 162 CD1 ILE A 10 14.949 15.387 -2.216 1.00 0.00 C0 ATOM 0 H ILE A 10 14.442 13.030 2.001 1.00 0.00 H new ATOM 0 HA ILE A 10 16.630 12.680 0.189 1.00 0.00 H new ATOM 0 HB ILE A 10 14.352 13.703 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 10 16.697 15.540 -0.950 1.00 0.00 H new ATOM 0 HG13 ILE A 10 16.498 13.968 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.086 16.108 0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 10 14.216 15.132 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 10 15.613 16.075 1.153 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.474 15.743 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.226 14.624 -2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.428 16.220 -1.744 1.00 0.00 H new ATOM 174 N CYS A 11 17.039 14.709 2.715 1.00 0.00 N0 ATOM 175 CA CYS A 11 18.048 15.506 3.406 1.00 0.00 C0 ATOM 176 C CYS A 11 19.254 14.654 3.783 1.00 0.00 C0 ATOM 177 O CYS A 11 20.392 14.994 3.450 1.00 0.00 O0 ATOM 178 CB CYS A 11 17.449 16.120 4.671 1.00 0.00 C0 ATOM 179 SG CYS A 11 16.414 17.535 4.224 1.00 0.00 S0 ATOM 0 H CYS A 11 16.181 14.551 3.244 1.00 0.00 H new ATOM 0 HA CYS A 11 18.376 16.296 2.730 1.00 0.00 H new ATOM 0 HB2 CYS A 11 16.856 15.376 5.203 1.00 0.00 H new ATOM 0 HB3 CYS A 11 18.244 16.436 5.346 1.00 0.00 H new ATOM 0 HG CYS A 11 15.241 17.115 3.853 1.00 0.00 H new ATOM 185 N SER A 12 19.011 13.550 4.486 1.00 0.00 N0 ATOM 186 CA SER A 12 20.097 12.673 4.901 1.00 0.00 C0 ATOM 187 C SER A 12 20.806 12.086 3.687 1.00 0.00 C0 ATOM 188 O SER A 12 22.028 11.959 3.675 1.00 0.00 O0 ATOM 189 CB SER A 12 19.560 11.542 5.779 1.00 0.00 C0 ATOM 190 OG SER A 12 20.643 10.714 6.183 1.00 0.00 O0 ATOM 0 H SER A 12 18.082 13.246 4.776 1.00 0.00 H new ATOM 0 HA SER A 12 20.811 13.264 5.475 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.054 11.952 6.653 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.823 10.956 5.229 1.00 0.00 H new ATOM 0 HG SER A 12 20.306 9.987 6.748 1.00 0.00 H new ATOM 196 N PHE A 13 20.032 11.720 2.671 1.00 0.00 N0 ATOM 197 CA PHE A 13 20.604 11.141 1.465 1.00 0.00 C0 ATOM 198 C PHE A 13 21.589 12.117 0.816 1.00 0.00 C0 ATOM 199 O PHE A 13 22.693 11.731 0.434 1.00 0.00 O0 ATOM 200 CB PHE A 13 19.489 10.787 0.483 1.00 0.00 C0 ATOM 201 CG PHE A 13 20.058 9.965 -0.644 1.00 0.00 C0 ATOM 202 CD1 PHE A 13 20.345 8.610 -0.439 1.00 0.00 C0 ATOM 203 CD2 PHE A 13 20.301 10.553 -1.889 1.00 0.00 C0 ATOM 204 CE1 PHE A 13 20.876 7.842 -1.481 1.00 0.00 C0 ATOM 205 CE2 PHE A 13 20.831 9.784 -2.933 1.00 0.00 C0 ATOM 206 CZ PHE A 13 21.120 8.429 -2.728 1.00 0.00 C0 ATOM 0 H PHE A 13 19.016 11.813 2.659 1.00 0.00 H new ATOM 0 HA PHE A 13 21.146 10.234 1.734 1.00 0.00 H new ATOM 0 HB2 PHE A 13 18.703 10.230 0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 13 19.033 11.696 0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 13 20.156 8.158 0.523 1.00 0.00 H new ATOM 0 HD2 PHE A 13 20.080 11.599 -2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 13 21.097 6.797 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 13 21.017 10.236 -3.896 1.00 0.00 H new ATOM 0 HZ PHE A 13 21.531 7.837 -3.532 1.00 0.00 H new ATOM 216 N ILE A 14 21.186 13.383 0.695 1.00 0.00 N0 ATOM 217 CA ILE A 14 22.054 14.399 0.096 1.00 0.00 C0 ATOM 218 C ILE A 14 23.334 14.584 0.913 1.00 0.00 C0 ATOM 219 O ILE A 14 24.430 14.660 0.357 1.00 0.00 O0 ATOM 220 CB ILE A 14 21.312 15.736 0.002 1.00 0.00 C0 ATOM 221 CG1 ILE A 14 20.233 15.643 -1.081 1.00 0.00 C0 ATOM 222 CG2 ILE A 14 22.300 16.851 -0.351 1.00 0.00 C0 ATOM 223 CD1 ILE A 14 19.285 16.839 -0.973 1.00 0.00 C0 ATOM 0 H ILE A 14 20.275 13.727 1.000 1.00 0.00 H new ATOM 0 HA ILE A 14 22.326 14.059 -0.903 1.00 0.00 H new ATOM 0 HB ILE A 14 20.846 15.961 0.962 1.00 0.00 H new ATOM 0 HG12 ILE A 14 20.696 15.622 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.674 14.714 -0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 14 21.769 17.800 -0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 14 23.066 16.917 0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 14 22.770 16.631 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.520 16.768 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.811 16.840 0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 14 19.848 17.763 -1.105 1.00 0.00 H new ATOM 235 N LEU A 15 23.187 14.670 2.230 1.00 0.00 N0 ATOM 236 CA LEU A 15 24.335 14.861 3.113 1.00 0.00 C0 ATOM 237 C LEU A 15 25.251 13.634 3.119 1.00 0.00 C0 ATOM 238 O LEU A 15 26.456 13.751 3.342 1.00 0.00 O0 ATOM 239 CB LEU A 15 23.845 15.128 4.539 1.00 0.00 C0 ATOM 240 CG LEU A 15 23.113 16.473 4.598 1.00 0.00 C0 ATOM 241 CD1 LEU A 15 22.409 16.608 5.952 1.00 0.00 C0 ATOM 242 CD2 LEU A 15 24.121 17.614 4.435 1.00 0.00 C0 ATOM 0 H LEU A 15 22.289 14.611 2.710 1.00 0.00 H new ATOM 0 HA LEU A 15 24.905 15.712 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.178 14.327 4.859 1.00 0.00 H new ATOM 0 HB3 LEU A 15 24.690 15.134 5.228 1.00 0.00 H new ATOM 0 HG LEU A 15 22.378 16.521 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 15 21.887 17.564 5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.691 15.797 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.147 16.560 6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.599 18.570 4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.857 17.567 5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.626 17.519 3.474 1.00 0.00 H new ATOM 254 N SER A 16 24.681 12.462 2.854 1.00 0.00 N0 ATOM 255 CA SER A 16 25.470 11.234 2.829 1.00 0.00 C0 ATOM 256 C SER A 16 26.308 11.155 1.557 1.00 0.00 C0 ATOM 257 O SER A 16 27.478 10.767 1.591 1.00 0.00 O0 ATOM 258 CB SER A 16 24.552 10.013 2.905 1.00 0.00 C0 ATOM 259 OG SER A 16 23.857 9.869 1.671 1.00 0.00 O0 ATOM 0 H SER A 16 23.688 12.336 2.656 1.00 0.00 H new ATOM 0 HA SER A 16 26.135 11.244 3.692 1.00 0.00 H new ATOM 0 HB2 SER A 16 25.136 9.117 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 16 23.842 10.128 3.724 1.00 0.00 H new ATOM 0 HG SER A 16 23.438 10.722 1.430 1.00 0.00 H new ATOM 265 N ALA A 17 25.698 11.530 0.438 1.00 0.00 N0 ATOM 266 CA ALA A 17 26.387 11.501 -0.845 1.00 0.00 C0 ATOM 267 C ALA A 17 27.501 12.530 -0.877 1.00 0.00 C0 ATOM 268 O ALA A 17 28.595 12.271 -1.382 1.00 0.00 O0 ATOM 269 CB ALA A 17 25.404 11.790 -1.980 1.00 0.00 C0 ATOM 0 H ALA A 17 24.732 11.856 0.394 1.00 0.00 H new ATOM 0 HA ALA A 17 26.814 10.507 -0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 17 25.932 11.765 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.617 11.035 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA A 17 24.961 12.776 -1.836 1.00 0.00 H new ATOM 275 N LEU A 18 27.220 13.700 -0.325 1.00 0.00 N0 ATOM 276 CA LEU A 18 28.202 14.765 -0.291 1.00 0.00 C0 ATOM 277 C LEU A 18 29.310 14.428 0.697 1.00 0.00 C0 ATOM 278 O LEU A 18 30.466 14.804 0.490 1.00 0.00 O0 ATOM 279 CB LEU A 18 27.530 16.082 0.108 1.00 0.00 C0 ATOM 280 CG LEU A 18 26.525 16.497 -0.974 1.00 0.00 C0 ATOM 281 CD1 LEU A 18 25.714 17.698 -0.482 1.00 0.00 C0 ATOM 282 CD2 LEU A 18 27.275 16.882 -2.255 1.00 0.00 C0 ATOM 0 H LEU A 18 26.324 13.933 0.103 1.00 0.00 H new ATOM 0 HA LEU A 18 28.638 14.873 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 18 27.022 15.967 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 28.282 16.861 0.238 1.00 0.00 H new ATOM 0 HG LEU A 18 25.855 15.663 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 18 24.999 17.994 -1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 18 25.178 17.427 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 18 26.386 18.530 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 18 26.558 17.176 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 18 27.947 17.715 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 18 27.854 16.029 -2.608 1.00 0.00 H new ATOM 294 N HIS A 19 28.960 13.701 1.762 1.00 0.00 N0 ATOM 295 CA HIS A 19 29.941 13.305 2.764 1.00 0.00 C0 ATOM 296 C HIS A 19 30.976 12.357 2.175 1.00 0.00 C0 ATOM 297 O HIS A 19 32.180 12.557 2.342 1.00 0.00 O0 ATOM 298 CB HIS A 19 29.234 12.618 3.935 1.00 0.00 C0 ATOM 299 CG HIS A 19 30.251 12.179 4.952 1.00 0.00 C0 ATOM 300 ND1 HIS A 19 30.911 13.080 5.774 1.00 0.00 N0 ATOM 301 CD2 HIS A 19 30.731 10.938 5.294 1.00 0.00 C0 ATOM 302 CE1 HIS A 19 31.742 12.375 6.564 1.00 0.00 C0 ATOM 303 NE2 HIS A 19 31.672 11.066 6.312 1.00 0.00 N0 ATOM 0 H HIS A 19 28.010 13.379 1.948 1.00 0.00 H new ATOM 0 HA HIS A 19 30.452 14.203 3.112 1.00 0.00 H new ATOM 0 HB2 HIS A 19 28.519 13.302 4.393 1.00 0.00 H new ATOM 0 HB3 HIS A 19 28.668 11.758 3.577 1.00 0.00 H new ATOM 0 HD2 HIS A 19 30.425 10.006 4.842 1.00 0.00 H new ATOM 0 HE1 HIS A 19 32.387 12.815 7.311 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.196 10.319 6.768 1.00 0.00 H new ATOM 311 N PHE A 20 30.506 11.334 1.462 1.00 0.00 N0 ATOM 312 CA PHE A 20 31.423 10.386 0.849 1.00 0.00 C0 ATOM 313 C PHE A 20 32.173 11.051 -0.295 1.00 0.00 C0 ATOM 314 O PHE A 20 33.295 10.672 -0.609 1.00 0.00 O0 ATOM 315 CB PHE A 20 30.678 9.144 0.349 1.00 0.00 C0 ATOM 316 CG PHE A 20 31.031 7.971 1.237 1.00 0.00 C0 ATOM 317 CD1 PHE A 20 30.175 7.587 2.277 1.00 0.00 C0 ATOM 318 CD2 PHE A 20 32.227 7.272 1.022 1.00 0.00 C0 ATOM 319 CE1 PHE A 20 30.514 6.505 3.101 1.00 0.00 C0 ATOM 320 CE2 PHE A 20 32.564 6.191 1.847 1.00 0.00 C0 ATOM 321 CZ PHE A 20 31.711 5.806 2.885 1.00 0.00 C0 ATOM 0 H PHE A 20 29.517 11.146 1.299 1.00 0.00 H new ATOM 0 HA PHE A 20 32.140 10.066 1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 20 29.602 9.318 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 20 30.952 8.931 -0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 20 29.253 8.125 2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 20 32.888 7.567 0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.853 6.209 3.903 1.00 0.00 H new ATOM 0 HE2 PHE A 20 33.486 5.654 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 20 31.973 4.972 3.519 1.00 0.00 H new ATOM 331 N MET A 21 31.546 12.042 -0.915 1.00 0.00 N0 ATOM 332 CA MET A 21 32.183 12.747 -2.022 1.00 0.00 C0 ATOM 333 C MET A 21 33.465 13.438 -1.554 1.00 0.00 C0 ATOM 334 O MET A 21 34.543 13.233 -2.124 1.00 0.00 O0 ATOM 335 CB MET A 21 31.223 13.787 -2.600 1.00 0.00 C0 ATOM 336 CG MET A 21 30.991 13.486 -4.084 1.00 0.00 C0 ATOM 337 SD MET A 21 29.746 12.181 -4.248 1.00 0.00 S0 ATOM 338 CE MET A 21 29.832 12.007 -6.048 1.00 0.00 C0 ATOM 0 H MET A 21 30.611 12.373 -0.676 1.00 0.00 H new ATOM 0 HA MET A 21 32.437 12.019 -2.792 1.00 0.00 H new ATOM 0 HB2 MET A 21 30.277 13.766 -2.060 1.00 0.00 H new ATOM 0 HB3 MET A 21 31.637 14.788 -2.480 1.00 0.00 H new ATOM 0 HG2 MET A 21 30.660 14.386 -4.601 1.00 0.00 H new ATOM 0 HG3 MET A 21 31.924 13.174 -4.553 1.00 0.00 H new ATOM 0 HE1 MET A 21 29.131 11.238 -6.373 1.00 0.00 H new ATOM 0 HE2 MET A 21 29.574 12.956 -6.518 1.00 0.00 H new ATOM 0 HE3 MET A 21 30.843 11.722 -6.338 1.00 0.00 H new ATOM 348 N ALA A 22 33.341 14.257 -0.514 1.00 0.00 N0 ATOM 349 CA ALA A 22 34.497 14.969 0.017 1.00 0.00 C0 ATOM 350 C ALA A 22 35.519 13.985 0.573 1.00 0.00 C0 ATOM 351 O ALA A 22 36.720 14.180 0.431 1.00 0.00 O0 ATOM 352 CB ALA A 22 34.072 15.942 1.114 1.00 0.00 C0 ATOM 0 H ALA A 22 32.464 14.442 -0.028 1.00 0.00 H new ATOM 0 HA ALA A 22 34.951 15.532 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 22 34.949 16.464 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 22 33.369 16.667 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 22 33.595 15.391 1.924 1.00 0.00 H new ATOM 358 N TRP A 23 35.037 12.928 1.216 1.00 0.00 N0 ATOM 359 CA TRP A 23 35.933 11.936 1.788 1.00 0.00 C0 ATOM 360 C TRP A 23 36.753 11.243 0.700 1.00 0.00 C0 ATOM 361 O TRP A 23 37.974 11.126 0.813 1.00 0.00 O0 ATOM 362 CB TRP A 23 35.127 10.902 2.567 1.00 0.00 C0 ATOM 363 CG TRP A 23 35.664 10.811 3.956 1.00 0.00 C0 ATOM 364 CD1 TRP A 23 35.121 11.399 5.047 1.00 0.00 C0 ATOM 365 CD2 TRP A 23 36.845 10.097 4.418 1.00 0.00 C0 ATOM 366 NE1 TRP A 23 35.896 11.090 6.152 1.00 0.00 N0 ATOM 367 CE2 TRP A 23 36.972 10.290 5.813 1.00 0.00 C0 ATOM 368 CE3 TRP A 23 37.810 9.309 3.765 1.00 0.00 C0 ATOM 369 CZ2 TRP A 23 38.020 9.718 6.536 1.00 0.00 C0 ATOM 370 CZ3 TRP A 23 38.865 8.733 4.489 1.00 0.00 C0 ATOM 371 CH2 TRP A 23 38.970 8.937 5.871 1.00 0.00 C0 ATOM 0 H TRP A 23 34.044 12.739 1.352 1.00 0.00 H new ATOM 0 HA TRP A 23 36.622 12.445 2.462 1.00 0.00 H new ATOM 0 HB2 TRP A 23 34.074 11.184 2.588 1.00 0.00 H new ATOM 0 HB3 TRP A 23 35.187 9.931 2.076 1.00 0.00 H new ATOM 0 HD1 TRP A 23 34.230 12.009 5.055 1.00 0.00 H new ATOM 0 HE1 TRP A 23 35.698 11.413 7.099 1.00 0.00 H new ATOM 0 HE3 TRP A 23 37.738 9.146 2.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 38.096 9.878 7.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 39.600 8.129 3.978 1.00 0.00 H new ATOM 0 HH2 TRP A 23 39.785 8.491 6.423 1.00 0.00 H new ATOM 382 N THR A 24 36.078 10.780 -0.349 1.00 0.00 N0 ATOM 383 CA THR A 24 36.757 10.097 -1.445 1.00 0.00 C0 ATOM 384 C THR A 24 37.872 10.966 -2.013 1.00 0.00 C0 ATOM 385 O THR A 24 39.008 10.512 -2.157 1.00 0.00 O0 ATOM 386 CB THR A 24 35.762 9.764 -2.562 1.00 0.00 C0 ATOM 387 OG1 THR A 24 34.842 10.834 -2.708 1.00 0.00 O0 ATOM 388 CG2 THR A 24 35.002 8.481 -2.224 1.00 0.00 C0 ATOM 0 H THR A 24 35.068 10.865 -0.463 1.00 0.00 H new ATOM 0 HA THR A 24 37.186 9.176 -1.052 1.00 0.00 H new ATOM 0 HB THR A 24 36.308 9.618 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 24 34.064 10.678 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 24 34.298 8.254 -3.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 35.708 7.657 -2.117 1.00 0.00 H new ATOM 0 HG23 THR A 24 34.458 8.616 -1.289 1.00 0.00 H new ATOM 396 N ILE A 25 37.555 12.218 -2.328 1.00 0.00 N0 ATOM 397 CA ILE A 25 38.572 13.111 -2.871 1.00 0.00 C0 ATOM 398 C ILE A 25 39.649 13.384 -1.824 1.00 0.00 C0 ATOM 399 O ILE A 25 40.826 13.537 -2.152 1.00 0.00 O0 ATOM 400 CB ILE A 25 37.937 14.420 -3.352 1.00 0.00 C0 ATOM 401 CG1 ILE A 25 39.033 15.336 -3.917 1.00 0.00 C0 ATOM 402 CG2 ILE A 25 37.230 15.116 -2.190 1.00 0.00 C0 ATOM 403 CD1 ILE A 25 38.417 16.470 -4.762 1.00 0.00 C0 ATOM 0 H ILE A 25 36.628 12.629 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 25 39.040 12.627 -3.728 1.00 0.00 H new ATOM 0 HB ILE A 25 37.205 14.203 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 25 39.615 15.761 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 25 39.721 14.753 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 25 36.782 16.045 -2.541 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.451 14.464 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 25 37.952 15.336 -1.404 1.00 0.00 H new ATOM 0 HD11 ILE A 25 39.212 17.106 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 25 37.855 16.041 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 25 37.748 17.065 -4.140 1.00 0.00 H new ATOM 415 N GLY A 26 39.238 13.432 -0.565 1.00 0.00 N0 ATOM 416 CA GLY A 26 40.174 13.680 0.523 1.00 0.00 C0 ATOM 417 C GLY A 26 41.255 12.604 0.554 1.00 0.00 C0 ATOM 418 O GLY A 26 42.448 12.910 0.594 1.00 0.00 O0 ATOM 0 H GLY A 26 38.269 13.304 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.633 14.661 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 26 39.640 13.695 1.473 1.00 0.00 H new ATOM 422 N HIS A 27 40.831 11.343 0.527 1.00 0.00 N0 ATOM 423 CA HIS A 27 41.768 10.224 0.544 1.00 0.00 C0 ATOM 424 C HIS A 27 42.606 10.207 -0.731 1.00 0.00 C0 ATOM 425 O HIS A 27 43.781 9.841 -0.706 1.00 0.00 O0 ATOM 426 CB HIS A 27 41.019 8.896 0.683 1.00 0.00 C0 ATOM 427 CG HIS A 27 42.011 7.799 0.956 1.00 0.00 C0 ATOM 428 ND1 HIS A 27 42.748 7.199 -0.052 1.00 0.00 N0 ATOM 429 CD2 HIS A 27 42.403 7.187 2.121 1.00 0.00 C0 ATOM 430 CE1 HIS A 27 43.539 6.272 0.519 1.00 0.00 C0 ATOM 431 NE2 HIS A 27 43.369 6.225 1.843 1.00 0.00 N0 ATOM 0 H HIS A 27 39.848 11.071 0.493 1.00 0.00 H new ATOM 0 HA HIS A 27 42.428 10.351 1.402 1.00 0.00 H new ATOM 0 HB2 HIS A 27 40.293 8.957 1.494 1.00 0.00 H new ATOM 0 HB3 HIS A 27 40.462 8.681 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 27 42.020 7.417 3.104 1.00 0.00 H new ATOM 0 HE1 HIS A 27 44.227 5.643 -0.026 1.00 0.00 H new ATOM 0 HE2 HIS A 27 43.845 5.615 2.508 1.00 0.00 H new ATOM 439 N LEU A 28 41.995 10.608 -1.845 1.00 0.00 N0 ATOM 440 CA LEU A 28 42.696 10.638 -3.123 1.00 0.00 C0 ATOM 441 C LEU A 28 43.882 11.599 -3.070 1.00 0.00 C0 ATOM 442 O LEU A 28 44.912 11.355 -3.697 1.00 0.00 O0 ATOM 443 CB LEU A 28 41.740 11.075 -4.237 1.00 0.00 C0 ATOM 444 CG LEU A 28 41.411 9.882 -5.136 1.00 0.00 C0 ATOM 445 CD1 LEU A 28 40.306 9.040 -4.495 1.00 0.00 C0 ATOM 446 CD2 LEU A 28 40.937 10.392 -6.499 1.00 0.00 C0 ATOM 0 H LEU A 28 41.023 10.914 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 28 43.065 9.633 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 28 40.825 11.480 -3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 28 42.194 11.872 -4.826 1.00 0.00 H new ATOM 0 HG LEU A 28 42.302 9.268 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 28 40.075 8.191 -5.139 1.00 0.00 H new ATOM 0 HD12 LEU A 28 40.642 8.677 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 39.412 9.651 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 28 40.702 9.545 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 28 40.046 11.007 -6.368 1.00 0.00 H new ATOM 0 HD23 LEU A 28 41.725 10.989 -6.958 1.00 0.00 H new ATOM 643 N GLN B 6 11.445 1.008 6.266 1.00 0.00 N0 ATOM 644 CA GLN B 6 12.299 -0.122 5.928 1.00 0.00 C0 ATOM 645 C GLN B 6 13.440 0.311 5.018 1.00 0.00 C0 ATOM 646 O GLN B 6 14.580 -0.120 5.193 1.00 0.00 O0 ATOM 647 CB GLN B 6 11.481 -1.212 5.235 1.00 0.00 C0 ATOM 648 CG GLN B 6 12.395 -2.391 4.892 1.00 0.00 C0 ATOM 649 CD GLN B 6 11.580 -3.531 4.293 1.00 0.00 C0 ATOM 650 OE1 GLN B 6 10.789 -3.313 3.374 1.00 0.00 O0 ATOM 651 NE2 GLN B 6 11.725 -4.739 4.761 1.00 0.00 N0 ATOM 0 HA GLN B 6 12.719 -0.515 6.854 1.00 0.00 H new ATOM 0 HB2 GLN B 6 10.671 -1.543 5.885 1.00 0.00 H new ATOM 0 HB3 GLN B 6 11.022 -0.817 4.329 1.00 0.00 H new ATOM 0 HG2 GLN B 6 13.162 -2.073 4.186 1.00 0.00 H new ATOM 0 HG3 GLN B 6 12.910 -2.735 5.789 1.00 0.00 H new ATOM 0 HE21 GLN B 6 12.381 -4.916 5.522 1.00 0.00 H new ATOM 0 HE22 GLN B 6 11.183 -5.507 4.366 1.00 0.00 H new ATOM 660 N ILE B 7 13.130 1.160 4.044 1.00 0.00 N0 ATOM 661 CA ILE B 7 14.144 1.635 3.109 1.00 0.00 C0 ATOM 662 C ILE B 7 15.209 2.456 3.821 1.00 0.00 C0 ATOM 663 O ILE B 7 16.401 2.223 3.646 1.00 0.00 O0 ATOM 664 CB ILE B 7 13.487 2.498 2.041 1.00 0.00 C0 ATOM 665 CG1 ILE B 7 12.531 1.642 1.220 1.00 0.00 C0 ATOM 666 CG2 ILE B 7 14.562 3.078 1.121 1.00 0.00 C0 ATOM 667 CD1 ILE B 7 11.655 2.552 0.366 1.00 0.00 C0 ATOM 0 H ILE B 7 12.194 1.531 3.882 1.00 0.00 H new ATOM 0 HA ILE B 7 14.619 0.765 2.655 1.00 0.00 H new ATOM 0 HB ILE B 7 12.937 3.310 2.517 1.00 0.00 H new ATOM 0 HG12 ILE B 7 13.091 0.956 0.585 1.00 0.00 H new ATOM 0 HG13 ILE B 7 11.911 1.033 1.878 1.00 0.00 H new ATOM 0 HG21 ILE B 7 14.092 3.696 0.356 1.00 0.00 H new ATOM 0 HG22 ILE B 7 15.252 3.687 1.706 1.00 0.00 H new ATOM 0 HG23 ILE B 7 15.110 2.265 0.644 1.00 0.00 H new ATOM 0 HD11 ILE B 7 10.968 1.946 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE B 7 11.086 3.220 1.012 1.00 0.00 H new ATOM 0 HD13 ILE B 7 12.284 3.141 -0.301 1.00 0.00 H new ATOM 679 N LEU B 8 14.779 3.434 4.612 1.00 0.00 N0 ATOM 680 CA LEU B 8 15.714 4.294 5.327 1.00 0.00 C0 ATOM 681 C LEU B 8 16.519 3.492 6.341 1.00 0.00 C0 ATOM 682 O LEU B 8 17.702 3.759 6.561 1.00 0.00 O0 ATOM 683 CB LEU B 8 14.947 5.398 6.057 1.00 0.00 C0 ATOM 684 CG LEU B 8 15.925 6.483 6.517 1.00 0.00 C0 ATOM 685 CD1 LEU B 8 16.161 7.471 5.374 1.00 0.00 C0 ATOM 686 CD2 LEU B 8 15.342 7.222 7.723 1.00 0.00 C0 ATOM 0 H LEU B 8 13.795 3.650 4.773 1.00 0.00 H new ATOM 0 HA LEU B 8 16.398 4.733 4.601 1.00 0.00 H new ATOM 0 HB2 LEU B 8 14.194 5.829 5.398 1.00 0.00 H new ATOM 0 HB3 LEU B 8 14.419 4.982 6.915 1.00 0.00 H new ATOM 0 HG LEU B 8 16.871 6.023 6.801 1.00 0.00 H new ATOM 0 HD11 LEU B 8 16.857 8.244 5.699 1.00 0.00 H new ATOM 0 HD12 LEU B 8 16.580 6.943 4.517 1.00 0.00 H new ATOM 0 HD13 LEU B 8 15.215 7.931 5.089 1.00 0.00 H new ATOM 0 HD21 LEU B 8 16.039 7.994 8.049 1.00 0.00 H new ATOM 0 HD22 LEU B 8 14.395 7.683 7.444 1.00 0.00 H new ATOM 0 HD23 LEU B 8 15.176 6.516 8.537 1.00 0.00 H new ATOM 698 N SER B 9 15.865 2.515 6.954 1.00 0.00 N0 ATOM 699 CA SER B 9 16.515 1.680 7.949 1.00 0.00 C0 ATOM 700 C SER B 9 17.627 0.838 7.326 1.00 0.00 C0 ATOM 701 O SER B 9 18.756 0.827 7.816 1.00 0.00 O0 ATOM 702 CB SER B 9 15.485 0.761 8.593 1.00 0.00 C0 ATOM 703 OG SER B 9 16.123 -0.053 9.569 1.00 0.00 O0 ATOM 0 H SER B 9 14.887 2.283 6.779 1.00 0.00 H new ATOM 0 HA SER B 9 16.960 2.331 8.702 1.00 0.00 H new ATOM 0 HB2 SER B 9 14.694 1.351 9.056 1.00 0.00 H new ATOM 0 HB3 SER B 9 15.014 0.136 7.834 1.00 0.00 H new ATOM 0 HG SER B 9 15.461 -0.644 9.985 1.00 0.00 H new ATOM 709 N ILE B 10 17.302 0.134 6.249 1.00 0.00 N0 ATOM 710 CA ILE B 10 18.287 -0.708 5.582 1.00 0.00 C0 ATOM 711 C ILE B 10 19.332 0.135 4.853 1.00 0.00 C0 ATOM 712 O ILE B 10 20.486 -0.275 4.724 1.00 0.00 O0 ATOM 713 CB ILE B 10 17.585 -1.659 4.606 1.00 0.00 C0 ATOM 714 CG1 ILE B 10 18.564 -2.744 4.154 1.00 0.00 C0 ATOM 715 CG2 ILE B 10 17.084 -0.886 3.387 1.00 0.00 C0 ATOM 716 CD1 ILE B 10 17.794 -3.864 3.449 1.00 0.00 C0 ATOM 0 H ILE B 10 16.375 0.128 5.823 1.00 0.00 H new ATOM 0 HA ILE B 10 18.806 -1.296 6.339 1.00 0.00 H new ATOM 0 HB ILE B 10 16.735 -2.119 5.110 1.00 0.00 H new ATOM 0 HG12 ILE B 10 19.308 -2.320 3.480 1.00 0.00 H new ATOM 0 HG13 ILE B 10 19.103 -3.143 5.013 1.00 0.00 H new ATOM 0 HG21 ILE B 10 16.587 -1.571 2.701 1.00 0.00 H new ATOM 0 HG22 ILE B 10 16.379 -0.119 3.707 1.00 0.00 H new ATOM 0 HG23 ILE B 10 17.928 -0.416 2.882 1.00 0.00 H new ATOM 0 HD11 ILE B 10 18.491 -4.638 3.127 1.00 0.00 H new ATOM 0 HD12 ILE B 10 17.067 -4.295 4.137 1.00 0.00 H new ATOM 0 HD13 ILE B 10 17.275 -3.458 2.580 1.00 0.00 H new ATOM 728 N CYS B 11 18.946 1.325 4.398 1.00 0.00 N0 ATOM 729 CA CYS B 11 19.887 2.199 3.705 1.00 0.00 C0 ATOM 730 C CYS B 11 20.935 2.742 4.671 1.00 0.00 C0 ATOM 731 O CYS B 11 22.137 2.618 4.427 1.00 0.00 O0 ATOM 732 CB CYS B 11 19.136 3.363 3.061 1.00 0.00 C0 ATOM 733 SG CYS B 11 18.318 2.794 1.552 1.00 0.00 S0 ATOM 0 H CYS B 11 18.003 1.701 4.495 1.00 0.00 H new ATOM 0 HA CYS B 11 20.391 1.616 2.934 1.00 0.00 H new ATOM 0 HB2 CYS B 11 18.399 3.764 3.757 1.00 0.00 H new ATOM 0 HB3 CYS B 11 19.828 4.172 2.829 1.00 0.00 H new ATOM 0 HG CYS B 11 17.148 2.310 1.848 1.00 0.00 H new ATOM 739 N SER B 12 20.485 3.362 5.760 1.00 0.00 N0 ATOM 740 CA SER B 12 21.406 3.925 6.738 1.00 0.00 C0 ATOM 741 C SER B 12 22.256 2.830 7.367 1.00 0.00 C0 ATOM 742 O SER B 12 23.446 3.017 7.602 1.00 0.00 O0 ATOM 743 CB SER B 12 20.633 4.666 7.828 1.00 0.00 C0 ATOM 744 OG SER B 12 21.555 5.219 8.759 1.00 0.00 O0 ATOM 0 H SER B 12 19.498 3.485 5.984 1.00 0.00 H new ATOM 0 HA SER B 12 22.062 4.627 6.223 1.00 0.00 H new ATOM 0 HB2 SER B 12 20.025 5.456 7.387 1.00 0.00 H new ATOM 0 HB3 SER B 12 19.951 3.984 8.335 1.00 0.00 H new ATOM 0 HG SER B 12 21.065 5.697 9.460 1.00 0.00 H new ATOM 750 N PHE B 13 21.636 1.690 7.644 1.00 0.00 N0 ATOM 751 CA PHE B 13 22.352 0.580 8.253 1.00 0.00 C0 ATOM 752 C PHE B 13 23.511 0.132 7.357 1.00 0.00 C0 ATOM 753 O PHE B 13 24.627 -0.068 7.834 1.00 0.00 O0 ATOM 754 CB PHE B 13 21.393 -0.585 8.490 1.00 0.00 C0 ATOM 755 CG PHE B 13 22.074 -1.627 9.341 1.00 0.00 C0 ATOM 756 CD1 PHE B 13 22.204 -1.422 10.720 1.00 0.00 C0 ATOM 757 CD2 PHE B 13 22.578 -2.792 8.755 1.00 0.00 C0 ATOM 758 CE1 PHE B 13 22.836 -2.383 11.514 1.00 0.00 C0 ATOM 759 CE2 PHE B 13 23.211 -3.755 9.548 1.00 0.00 C0 ATOM 760 CZ PHE B 13 23.341 -3.551 10.928 1.00 0.00 C0 ATOM 0 H PHE B 13 20.649 1.512 7.458 1.00 0.00 H new ATOM 0 HA PHE B 13 22.761 0.909 9.208 1.00 0.00 H new ATOM 0 HB2 PHE B 13 20.488 -0.231 8.983 1.00 0.00 H new ATOM 0 HB3 PHE B 13 21.088 -1.019 7.538 1.00 0.00 H new ATOM 0 HD1 PHE B 13 21.816 -0.521 11.170 1.00 0.00 H new ATOM 0 HD2 PHE B 13 22.479 -2.948 7.691 1.00 0.00 H new ATOM 0 HE1 PHE B 13 22.935 -2.225 12.578 1.00 0.00 H new ATOM 0 HE2 PHE B 13 23.600 -4.656 9.096 1.00 0.00 H new ATOM 0 HZ PHE B 13 23.830 -4.294 11.540 1.00 0.00 H new ATOM 770 N ILE B 14 23.246 -0.011 6.057 1.00 0.00 N0 ATOM 771 CA ILE B 14 24.288 -0.421 5.115 1.00 0.00 C0 ATOM 772 C ILE B 14 25.420 0.602 5.059 1.00 0.00 C0 ATOM 773 O ILE B 14 26.596 0.241 5.074 1.00 0.00 O0 ATOM 774 CB ILE B 14 23.690 -0.597 3.716 1.00 0.00 C0 ATOM 775 CG1 ILE B 14 22.810 -1.850 3.692 1.00 0.00 C0 ATOM 776 CG2 ILE B 14 24.815 -0.740 2.688 1.00 0.00 C0 ATOM 777 CD1 ILE B 14 21.965 -1.868 2.417 1.00 0.00 C0 ATOM 0 H ILE B 14 22.330 0.149 5.637 1.00 0.00 H new ATOM 0 HA ILE B 14 24.698 -1.369 5.463 1.00 0.00 H new ATOM 0 HB ILE B 14 23.086 0.276 3.468 1.00 0.00 H new ATOM 0 HG12 ILE B 14 23.433 -2.743 3.739 1.00 0.00 H new ATOM 0 HG13 ILE B 14 22.162 -1.867 4.568 1.00 0.00 H new ATOM 0 HG21 ILE B 14 24.386 -0.865 1.694 1.00 0.00 H new ATOM 0 HG22 ILE B 14 25.438 0.154 2.704 1.00 0.00 H new ATOM 0 HG23 ILE B 14 25.423 -1.611 2.933 1.00 0.00 H new ATOM 0 HD11 ILE B 14 21.341 -2.762 2.406 1.00 0.00 H new ATOM 0 HD12 ILE B 14 21.330 -0.982 2.389 1.00 0.00 H new ATOM 0 HD13 ILE B 14 22.620 -1.873 1.546 1.00 0.00 H new ATOM 789 N LEU B 15 25.062 1.881 4.981 1.00 0.00 N0 ATOM 790 CA LEU B 15 26.059 2.946 4.907 1.00 0.00 C0 ATOM 791 C LEU B 15 26.852 3.063 6.211 1.00 0.00 C0 ATOM 792 O LEU B 15 28.008 3.485 6.205 1.00 0.00 O0 ATOM 793 CB LEU B 15 25.359 4.278 4.624 1.00 0.00 C0 ATOM 794 CG LEU B 15 24.743 4.258 3.220 1.00 0.00 C0 ATOM 795 CD1 LEU B 15 23.833 5.477 3.046 1.00 0.00 C0 ATOM 796 CD2 LEU B 15 25.856 4.301 2.170 1.00 0.00 C0 ATOM 0 H LEU B 15 24.095 2.204 4.967 1.00 0.00 H new ATOM 0 HA LEU B 15 26.755 2.703 4.104 1.00 0.00 H new ATOM 0 HB2 LEU B 15 24.583 4.456 5.368 1.00 0.00 H new ATOM 0 HB3 LEU B 15 26.073 5.098 4.706 1.00 0.00 H new ATOM 0 HG LEU B 15 24.160 3.345 3.093 1.00 0.00 H new ATOM 0 HD11 LEU B 15 23.394 5.464 2.048 1.00 0.00 H new ATOM 0 HD12 LEU B 15 23.039 5.448 3.792 1.00 0.00 H new ATOM 0 HD13 LEU B 15 24.417 6.388 3.174 1.00 0.00 H new ATOM 0 HD21 LEU B 15 25.416 4.287 1.173 1.00 0.00 H new ATOM 0 HD22 LEU B 15 26.440 5.213 2.296 1.00 0.00 H new ATOM 0 HD23 LEU B 15 26.505 3.434 2.293 1.00 0.00 H new ATOM 808 N SER B 16 26.235 2.675 7.323 1.00 0.00 N0 ATOM 809 CA SER B 16 26.910 2.744 8.617 1.00 0.00 C0 ATOM 810 C SER B 16 27.942 1.630 8.751 1.00 0.00 C0 ATOM 811 O SER B 16 29.050 1.847 9.246 1.00 0.00 O0 ATOM 812 CB SER B 16 25.891 2.626 9.751 1.00 0.00 C0 ATOM 813 OG SER B 16 25.407 1.288 9.810 1.00 0.00 O0 ATOM 0 H SER B 16 25.282 2.314 7.357 1.00 0.00 H new ATOM 0 HA SER B 16 27.418 3.706 8.680 1.00 0.00 H new ATOM 0 HB2 SER B 16 26.352 2.901 10.700 1.00 0.00 H new ATOM 0 HB3 SER B 16 25.064 3.317 9.586 1.00 0.00 H new ATOM 0 HG SER B 16 25.122 1.004 8.917 1.00 0.00 H new ATOM 819 N ALA B 17 27.565 0.436 8.302 1.00 0.00 N0 ATOM 820 CA ALA B 17 28.455 -0.714 8.372 1.00 0.00 C0 ATOM 821 C ALA B 17 29.640 -0.529 7.444 1.00 0.00 C0 ATOM 822 O ALA B 17 30.777 -0.850 7.793 1.00 0.00 O0 ATOM 823 CB ALA B 17 27.706 -1.986 7.977 1.00 0.00 C0 ATOM 0 H ALA B 17 26.653 0.242 7.888 1.00 0.00 H new ATOM 0 HA ALA B 17 28.812 -0.803 9.398 1.00 0.00 H new ATOM 0 HB1 ALA B 17 28.382 -2.839 8.033 1.00 0.00 H new ATOM 0 HB2 ALA B 17 26.869 -2.141 8.657 1.00 0.00 H new ATOM 0 HB3 ALA B 17 27.332 -1.886 6.958 1.00 0.00 H new ATOM 829 N LEU B 18 29.374 0.010 6.264 1.00 0.00 N0 ATOM 830 CA LEU B 18 30.426 0.242 5.295 1.00 0.00 C0 ATOM 831 C LEU B 18 31.315 1.395 5.743 1.00 0.00 C0 ATOM 832 O LEU B 18 32.515 1.398 5.468 1.00 0.00 O0 ATOM 833 CB LEU B 18 29.810 0.563 3.930 1.00 0.00 C0 ATOM 834 CG LEU B 18 29.044 -0.659 3.409 1.00 0.00 C0 ATOM 835 CD1 LEU B 18 28.264 -0.275 2.148 1.00 0.00 C0 ATOM 836 CD2 LEU B 18 30.031 -1.782 3.072 1.00 0.00 C0 ATOM 0 H LEU B 18 28.443 0.293 5.958 1.00 0.00 H new ATOM 0 HA LEU B 18 31.034 -0.659 5.215 1.00 0.00 H new ATOM 0 HB2 LEU B 18 29.138 1.417 4.015 1.00 0.00 H new ATOM 0 HB3 LEU B 18 30.592 0.842 3.224 1.00 0.00 H new ATOM 0 HG LEU B 18 28.351 -1.003 4.177 1.00 0.00 H new ATOM 0 HD11 LEU B 18 27.720 -1.144 1.778 1.00 0.00 H new ATOM 0 HD12 LEU B 18 27.558 0.521 2.385 1.00 0.00 H new ATOM 0 HD13 LEU B 18 28.958 0.071 1.382 1.00 0.00 H new ATOM 0 HD21 LEU B 18 29.483 -2.649 2.702 1.00 0.00 H new ATOM 0 HD22 LEU B 18 30.726 -1.438 2.306 1.00 0.00 H new ATOM 0 HD23 LEU B 18 30.587 -2.059 3.968 1.00 0.00 H new ATOM 848 N HIS B 19 30.726 2.360 6.459 1.00 0.00 N0 ATOM 849 CA HIS B 19 31.485 3.499 6.958 1.00 0.00 C0 ATOM 850 C HIS B 19 32.521 3.059 7.982 1.00 0.00 C0 ATOM 851 O HIS B 19 33.693 3.431 7.894 1.00 0.00 O0 ATOM 852 CB HIS B 19 30.535 4.514 7.597 1.00 0.00 C0 ATOM 853 CG HIS B 19 31.324 5.671 8.143 1.00 0.00 C0 ATOM 854 ND1 HIS B 19 31.909 6.621 7.321 1.00 0.00 N0 ATOM 855 CD2 HIS B 19 31.631 6.047 9.428 1.00 0.00 C0 ATOM 856 CE1 HIS B 19 32.532 7.515 8.112 1.00 0.00 C0 ATOM 857 NE2 HIS B 19 32.393 7.211 9.405 1.00 0.00 N0 ATOM 0 H HIS B 19 29.735 2.370 6.701 1.00 0.00 H new ATOM 0 HA HIS B 19 32.004 3.958 6.116 1.00 0.00 H new ATOM 0 HB2 HIS B 19 29.815 4.868 6.859 1.00 0.00 H new ATOM 0 HB3 HIS B 19 29.965 4.040 8.396 1.00 0.00 H new ATOM 0 HD2 HIS B 19 31.327 5.520 10.320 1.00 0.00 H new ATOM 0 HE1 HIS B 19 33.077 8.372 7.746 1.00 0.00 H new ATOM 0 HE2 HIS B 19 32.766 7.723 10.205 1.00 0.00 H new ATOM 865 N PHE B 20 32.092 2.249 8.947 1.00 0.00 N0 ATOM 866 CA PHE B 20 33.012 1.766 9.965 1.00 0.00 C0 ATOM 867 C PHE B 20 33.999 0.785 9.352 1.00 0.00 C0 ATOM 868 O PHE B 20 35.121 0.649 9.827 1.00 0.00 O0 ATOM 869 CB PHE B 20 32.260 1.110 11.124 1.00 0.00 C0 ATOM 870 CG PHE B 20 32.357 2.006 12.337 1.00 0.00 C0 ATOM 871 CD1 PHE B 20 31.304 2.872 12.660 1.00 0.00 C0 ATOM 872 CD2 PHE B 20 33.507 1.974 13.138 1.00 0.00 C0 ATOM 873 CE1 PHE B 20 31.402 3.704 13.782 1.00 0.00 C0 ATOM 874 CE2 PHE B 20 33.603 2.806 14.260 1.00 0.00 C0 ATOM 875 CZ PHE B 20 32.551 3.670 14.582 1.00 0.00 C0 ATOM 0 H PHE B 20 31.131 1.920 9.043 1.00 0.00 H new ATOM 0 HA PHE B 20 33.559 2.621 10.363 1.00 0.00 H new ATOM 0 HB2 PHE B 20 31.216 0.951 10.855 1.00 0.00 H new ATOM 0 HB3 PHE B 20 32.685 0.131 11.343 1.00 0.00 H new ATOM 0 HD1 PHE B 20 30.417 2.898 12.044 1.00 0.00 H new ATOM 0 HD2 PHE B 20 34.319 1.307 12.889 1.00 0.00 H new ATOM 0 HE1 PHE B 20 30.591 4.372 14.031 1.00 0.00 H new ATOM 0 HE2 PHE B 20 34.489 2.781 14.877 1.00 0.00 H new ATOM 0 HZ PHE B 20 32.625 4.311 15.448 1.00 0.00 H new ATOM 885 N MET B 21 33.576 0.103 8.295 1.00 0.00 N0 ATOM 886 CA MET B 21 34.449 -0.857 7.632 1.00 0.00 C0 ATOM 887 C MET B 21 35.685 -0.160 7.066 1.00 0.00 C0 ATOM 888 O MET B 21 36.823 -0.551 7.356 1.00 0.00 O0 ATOM 889 CB MET B 21 33.694 -1.554 6.501 1.00 0.00 C0 ATOM 890 CG MET B 21 33.697 -3.065 6.755 1.00 0.00 C0 ATOM 891 SD MET B 21 32.394 -3.480 7.942 1.00 0.00 S0 ATOM 892 CE MET B 21 32.773 -5.244 8.092 1.00 0.00 C0 ATOM 0 H MET B 21 32.647 0.194 7.883 1.00 0.00 H new ATOM 0 HA MET B 21 34.768 -1.596 8.367 1.00 0.00 H new ATOM 0 HB2 MET B 21 32.670 -1.183 6.448 1.00 0.00 H new ATOM 0 HB3 MET B 21 34.164 -1.333 5.543 1.00 0.00 H new ATOM 0 HG2 MET B 21 33.537 -3.602 5.820 1.00 0.00 H new ATOM 0 HG3 MET B 21 34.668 -3.378 7.140 1.00 0.00 H new ATOM 0 HE1 MET B 21 32.076 -5.708 8.790 1.00 0.00 H new ATOM 0 HE2 MET B 21 32.680 -5.720 7.116 1.00 0.00 H new ATOM 0 HE3 MET B 21 33.792 -5.367 8.460 1.00 0.00 H new ATOM 902 N ALA B 22 35.459 0.873 6.258 1.00 0.00 N0 ATOM 903 CA ALA B 22 36.565 1.614 5.663 1.00 0.00 C0 ATOM 904 C ALA B 22 37.389 2.300 6.746 1.00 0.00 C0 ATOM 905 O ALA B 22 38.611 2.367 6.656 1.00 0.00 O0 ATOM 906 CB ALA B 22 36.040 2.658 4.676 1.00 0.00 C0 ATOM 0 H ALA B 22 34.531 1.212 6.003 1.00 0.00 H new ATOM 0 HA ALA B 22 37.199 0.908 5.128 1.00 0.00 H new ATOM 0 HB1 ALA B 22 36.879 3.202 4.241 1.00 0.00 H new ATOM 0 HB2 ALA B 22 35.480 2.161 3.884 1.00 0.00 H new ATOM 0 HB3 ALA B 22 35.386 3.356 5.199 1.00 0.00 H new ATOM 912 N TRP B 23 36.717 2.822 7.763 1.00 0.00 N0 ATOM 913 CA TRP B 23 37.416 3.503 8.842 1.00 0.00 C0 ATOM 914 C TRP B 23 38.347 2.546 9.587 1.00 0.00 C0 ATOM 915 O TRP B 23 39.517 2.857 9.814 1.00 0.00 O0 ATOM 916 CB TRP B 23 36.402 4.103 9.811 1.00 0.00 C0 ATOM 917 CG TRP B 23 36.684 5.559 9.972 1.00 0.00 C0 ATOM 918 CD1 TRP B 23 36.015 6.561 9.356 1.00 0.00 C0 ATOM 919 CD2 TRP B 23 37.703 6.190 10.797 1.00 0.00 C0 ATOM 920 NE1 TRP B 23 36.562 7.771 9.751 1.00 0.00 N0 ATOM 921 CE2 TRP B 23 37.606 7.592 10.640 1.00 0.00 C0 ATOM 922 CE3 TRP B 23 38.694 5.685 11.658 1.00 0.00 C0 ATOM 923 CZ2 TRP B 23 38.464 8.464 11.314 1.00 0.00 C0 ATOM 924 CZ3 TRP B 23 39.558 6.557 12.339 1.00 0.00 C0 ATOM 925 CH2 TRP B 23 39.443 7.945 12.166 1.00 0.00 C0 ATOM 0 H TRP B 23 35.702 2.788 7.863 1.00 0.00 H new ATOM 0 HA TRP B 23 38.024 4.298 8.410 1.00 0.00 H new ATOM 0 HB2 TRP B 23 35.390 3.955 9.435 1.00 0.00 H new ATOM 0 HB3 TRP B 23 36.460 3.600 10.776 1.00 0.00 H new ATOM 0 HD1 TRP B 23 35.190 6.438 8.669 1.00 0.00 H new ATOM 0 HE1 TRP B 23 36.235 8.681 9.426 1.00 0.00 H new ATOM 0 HE3 TRP B 23 38.791 4.618 11.796 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 38.372 9.531 11.178 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 40.314 6.158 12.999 1.00 0.00 H new ATOM 0 HH2 TRP B 23 40.111 8.612 12.691 1.00 0.00 H new ATOM 936 N THR B 24 37.822 1.386 9.970 1.00 0.00 N0 ATOM 937 CA THR B 24 38.616 0.396 10.693 1.00 0.00 C0 ATOM 938 C THR B 24 39.880 0.052 9.919 1.00 0.00 C0 ATOM 939 O THR B 24 40.981 0.088 10.471 1.00 0.00 O0 ATOM 940 CB THR B 24 37.800 -0.881 10.915 1.00 0.00 C0 ATOM 941 OG1 THR B 24 37.011 -1.145 9.764 1.00 0.00 O0 ATOM 942 CG2 THR B 24 36.887 -0.718 12.131 1.00 0.00 C0 ATOM 0 H THR B 24 36.856 1.109 9.794 1.00 0.00 H new ATOM 0 HA THR B 24 38.892 0.825 11.657 1.00 0.00 H new ATOM 0 HB THR B 24 38.483 -1.712 11.092 1.00 0.00 H new ATOM 0 HG1 THR B 24 36.136 -0.715 9.862 1.00 0.00 H new ATOM 0 HG21 THR B 24 36.312 -1.632 12.279 1.00 0.00 H new ATOM 0 HG22 THR B 24 37.492 -0.522 13.016 1.00 0.00 H new ATOM 0 HG23 THR B 24 36.206 0.117 11.965 1.00 0.00 H new ATOM 950 N ILE B 25 39.730 -0.273 8.638 1.00 0.00 N0 ATOM 951 CA ILE B 25 40.898 -0.609 7.833 1.00 0.00 C0 ATOM 952 C ILE B 25 41.802 0.612 7.675 1.00 0.00 C0 ATOM 953 O ILE B 25 43.025 0.491 7.622 1.00 0.00 O0 ATOM 954 CB ILE B 25 40.471 -1.146 6.464 1.00 0.00 C0 ATOM 955 CG1 ILE B 25 41.722 -1.489 5.639 1.00 0.00 C0 ATOM 956 CG2 ILE B 25 39.639 -0.100 5.726 1.00 0.00 C0 ATOM 957 CD1 ILE B 25 41.360 -2.388 4.441 1.00 0.00 C0 ATOM 0 H ILE B 25 38.837 -0.310 8.146 1.00 0.00 H new ATOM 0 HA ILE B 25 41.460 -1.390 8.345 1.00 0.00 H new ATOM 0 HB ILE B 25 39.867 -2.043 6.603 1.00 0.00 H new ATOM 0 HG12 ILE B 25 42.190 -0.572 5.282 1.00 0.00 H new ATOM 0 HG13 ILE B 25 42.452 -1.995 6.271 1.00 0.00 H new ATOM 0 HG21 ILE B 25 39.341 -0.492 4.754 1.00 0.00 H new ATOM 0 HG22 ILE B 25 38.750 0.136 6.310 1.00 0.00 H new ATOM 0 HG23 ILE B 25 40.232 0.804 5.586 1.00 0.00 H new ATOM 0 HD11 ILE B 25 42.261 -2.617 3.873 1.00 0.00 H new ATOM 0 HD12 ILE B 25 40.914 -3.314 4.803 1.00 0.00 H new ATOM 0 HD13 ILE B 25 40.648 -1.869 3.799 1.00 0.00 H new ATOM 969 N GLY B 26 41.189 1.786 7.609 1.00 0.00 N0 ATOM 970 CA GLY B 26 41.946 3.022 7.468 1.00 0.00 C0 ATOM 971 C GLY B 26 42.911 3.198 8.636 1.00 0.00 C0 ATOM 972 O GLY B 26 44.100 3.446 8.440 1.00 0.00 O0 ATOM 0 H GLY B 26 40.177 1.908 7.650 1.00 0.00 H new ATOM 0 HA2 GLY B 26 42.501 3.010 6.530 1.00 0.00 H new ATOM 0 HA3 GLY B 26 41.263 3.870 7.423 1.00 0.00 H new ATOM 976 N HIS B 27 42.388 3.062 9.853 1.00 0.00 N0 ATOM 977 CA HIS B 27 43.208 3.201 11.053 1.00 0.00 C0 ATOM 978 C HIS B 27 44.247 2.085 11.123 1.00 0.00 C0 ATOM 979 O HIS B 27 45.364 2.295 11.595 1.00 0.00 O0 ATOM 980 CB HIS B 27 42.337 3.170 12.309 1.00 0.00 C0 ATOM 981 CG HIS B 27 43.169 3.572 13.496 1.00 0.00 C0 ATOM 982 ND1 HIS B 27 44.015 2.684 14.142 1.00 0.00 N0 ATOM 983 CD2 HIS B 27 43.300 4.765 14.161 1.00 0.00 C0 ATOM 984 CE1 HIS B 27 44.615 3.351 15.145 1.00 0.00 C0 ATOM 985 NE2 HIS B 27 44.215 4.624 15.202 1.00 0.00 N0 ATOM 0 H HIS B 27 41.405 2.857 10.033 1.00 0.00 H new ATOM 0 HA HIS B 27 43.720 4.162 11.001 1.00 0.00 H new ATOM 0 HB2 HIS B 27 41.491 3.848 12.196 1.00 0.00 H new ATOM 0 HB3 HIS B 27 41.928 2.171 12.458 1.00 0.00 H new ATOM 0 HD2 HIS B 27 42.774 5.675 13.915 1.00 0.00 H new ATOM 0 HE1 HIS B 27 45.333 2.911 15.821 1.00 0.00 H new ATOM 0 HE2 HIS B 27 44.515 5.339 15.865 1.00 0.00 H new ATOM 993 N LEU B 28 43.871 0.899 10.650 1.00 0.00 N0 ATOM 994 CA LEU B 28 44.783 -0.242 10.662 1.00 0.00 C0 ATOM 995 C LEU B 28 46.020 0.042 9.814 1.00 0.00 C0 ATOM 996 O LEU B 28 47.117 -0.413 10.136 1.00 0.00 O0 ATOM 997 CB LEU B 28 44.071 -1.485 10.123 1.00 0.00 C0 ATOM 998 CG LEU B 28 43.798 -2.463 11.268 1.00 0.00 C0 ATOM 999 CD1 LEU B 28 42.531 -2.042 12.016 1.00 0.00 C0 ATOM 1000 CD2 LEU B 28 43.608 -3.870 10.696 1.00 0.00 C0 ATOM 0 H LEU B 28 42.950 0.704 10.257 1.00 0.00 H new ATOM 0 HA LEU B 28 45.097 -0.416 11.691 1.00 0.00 H new ATOM 0 HB2 LEU B 28 43.134 -1.200 9.645 1.00 0.00 H new ATOM 0 HB3 LEU B 28 44.685 -1.965 9.361 1.00 0.00 H new ATOM 0 HG LEU B 28 44.642 -2.457 11.958 1.00 0.00 H new ATOM 0 HD11 LEU B 28 42.340 -2.741 12.830 1.00 0.00 H new ATOM 0 HD12 LEU B 28 42.664 -1.039 12.422 1.00 0.00 H new ATOM 0 HD13 LEU B 28 41.685 -2.046 11.329 1.00 0.00 H new ATOM 0 HD21 LEU B 28 43.413 -4.570 11.509 1.00 0.00 H new ATOM 0 HD22 LEU B 28 42.764 -3.871 10.006 1.00 0.00 H new ATOM 0 HD23 LEU B 28 44.511 -4.172 10.166 1.00 0.00 H new ATOM 1177 N PHE C 5 10.307 3.310 14.559 1.00 0.00 N0 ATOM 1178 CA PHE C 5 11.032 4.546 14.807 1.00 0.00 C0 ATOM 1179 C PHE C 5 11.923 4.389 16.029 1.00 0.00 C0 ATOM 1180 O PHE C 5 13.033 4.921 16.070 1.00 0.00 O0 ATOM 1181 CB PHE C 5 10.052 5.697 15.026 1.00 0.00 C0 ATOM 1182 CG PHE C 5 10.487 6.514 16.222 1.00 0.00 C0 ATOM 1183 CD1 PHE C 5 11.536 7.434 16.104 1.00 0.00 C0 ATOM 1184 CD2 PHE C 5 9.838 6.347 17.450 1.00 0.00 C0 ATOM 1185 CE1 PHE C 5 11.933 8.189 17.215 1.00 0.00 C0 ATOM 1186 CE2 PHE C 5 10.235 7.101 18.561 1.00 0.00 C0 ATOM 1187 CZ PHE C 5 11.282 8.023 18.444 1.00 0.00 C0 ATOM 0 HA PHE C 5 11.652 4.769 13.939 1.00 0.00 H new ATOM 0 HB2 PHE C 5 10.012 6.327 14.138 1.00 0.00 H new ATOM 0 HB3 PHE C 5 9.047 5.307 15.186 1.00 0.00 H new ATOM 0 HD1 PHE C 5 12.039 7.561 15.157 1.00 0.00 H new ATOM 0 HD2 PHE C 5 9.030 5.636 17.541 1.00 0.00 H new ATOM 0 HE1 PHE C 5 12.741 8.899 17.124 1.00 0.00 H new ATOM 0 HE2 PHE C 5 9.733 6.971 19.509 1.00 0.00 H new ATOM 0 HZ PHE C 5 11.587 8.606 19.301 1.00 0.00 H new ATOM 1197 N GLN C 6 11.430 3.665 17.025 1.00 0.00 N0 ATOM 1198 CA GLN C 6 12.197 3.460 18.245 1.00 0.00 C0 ATOM 1199 C GLN C 6 13.515 2.752 17.946 1.00 0.00 C0 ATOM 1200 O GLN C 6 14.557 3.104 18.498 1.00 0.00 O0 ATOM 1201 CB GLN C 6 11.386 2.636 19.246 1.00 0.00 C0 ATOM 1202 CG GLN C 6 12.208 2.431 20.520 1.00 0.00 C0 ATOM 1203 CD GLN C 6 11.377 1.698 21.568 1.00 0.00 C0 ATOM 1204 OE1 GLN C 6 10.774 0.667 21.274 1.00 0.00 O0 ATOM 1205 NE2 GLN C 6 11.310 2.174 22.780 1.00 0.00 N0 ATOM 0 H GLN C 6 10.515 3.215 17.013 1.00 0.00 H new ATOM 0 HA GLN C 6 12.416 4.437 18.675 1.00 0.00 H new ATOM 0 HB2 GLN C 6 10.452 3.146 19.481 1.00 0.00 H new ATOM 0 HB3 GLN C 6 11.122 1.672 18.811 1.00 0.00 H new ATOM 0 HG2 GLN C 6 13.108 1.859 20.293 1.00 0.00 H new ATOM 0 HG3 GLN C 6 12.533 3.395 20.911 1.00 0.00 H new ATOM 0 HE21 GLN C 6 11.811 3.029 23.020 1.00 0.00 H new ATOM 0 HE22 GLN C 6 10.756 1.691 23.488 1.00 0.00 H new ATOM 1214 N ILE C 7 13.456 1.743 17.086 1.00 0.00 N0 ATOM 1215 CA ILE C 7 14.651 0.983 16.734 1.00 0.00 C0 ATOM 1216 C ILE C 7 15.677 1.862 16.027 1.00 0.00 C0 ATOM 1217 O ILE C 7 16.850 1.876 16.392 1.00 0.00 O0 ATOM 1218 CB ILE C 7 14.276 -0.169 15.813 1.00 0.00 C0 ATOM 1219 CG1 ILE C 7 13.373 -1.141 16.565 1.00 0.00 C0 ATOM 1220 CG2 ILE C 7 15.541 -0.901 15.363 1.00 0.00 C0 ATOM 1221 CD1 ILE C 7 12.754 -2.117 15.569 1.00 0.00 C0 ATOM 0 H ILE C 7 12.602 1.433 16.622 1.00 0.00 H new ATOM 0 HA ILE C 7 15.089 0.603 17.657 1.00 0.00 H new ATOM 0 HB ILE C 7 13.753 0.221 14.940 1.00 0.00 H new ATOM 0 HG12 ILE C 7 13.947 -1.683 17.316 1.00 0.00 H new ATOM 0 HG13 ILE C 7 12.591 -0.596 17.094 1.00 0.00 H new ATOM 0 HG21 ILE C 7 15.269 -1.725 14.704 1.00 0.00 H new ATOM 0 HG22 ILE C 7 16.192 -0.208 14.829 1.00 0.00 H new ATOM 0 HG23 ILE C 7 16.065 -1.292 16.235 1.00 0.00 H new ATOM 0 HD11 ILE C 7 12.107 -2.816 16.099 1.00 0.00 H new ATOM 0 HD12 ILE C 7 12.168 -1.565 14.835 1.00 0.00 H new ATOM 0 HD13 ILE C 7 13.545 -2.669 15.061 1.00 0.00 H new ATOM 1233 N LEU C 8 15.235 2.583 15.004 1.00 0.00 N0 ATOM 1234 CA LEU C 8 16.131 3.447 14.247 1.00 0.00 C0 ATOM 1235 C LEU C 8 16.669 4.571 15.124 1.00 0.00 C0 ATOM 1236 O LEU C 8 17.824 4.978 14.992 1.00 0.00 O0 ATOM 1237 CB LEU C 8 15.386 4.053 13.056 1.00 0.00 C0 ATOM 1238 CG LEU C 8 16.393 4.673 12.084 1.00 0.00 C0 ATOM 1239 CD1 LEU C 8 16.919 3.590 11.140 1.00 0.00 C0 ATOM 1240 CD2 LEU C 8 15.713 5.776 11.271 1.00 0.00 C0 ATOM 0 H LEU C 8 14.267 2.587 14.681 1.00 0.00 H new ATOM 0 HA LEU C 8 16.967 2.843 13.893 1.00 0.00 H new ATOM 0 HB2 LEU C 8 14.802 3.284 12.550 1.00 0.00 H new ATOM 0 HB3 LEU C 8 14.683 4.812 13.401 1.00 0.00 H new ATOM 0 HG LEU C 8 17.223 5.102 12.646 1.00 0.00 H new ATOM 0 HD11 LEU C 8 17.636 4.029 10.447 1.00 0.00 H new ATOM 0 HD12 LEU C 8 17.407 2.807 11.720 1.00 0.00 H new ATOM 0 HD13 LEU C 8 16.088 3.161 10.579 1.00 0.00 H new ATOM 0 HD21 LEU C 8 16.433 6.215 10.580 1.00 0.00 H new ATOM 0 HD22 LEU C 8 14.881 5.353 10.708 1.00 0.00 H new ATOM 0 HD23 LEU C 8 15.340 6.547 11.945 1.00 0.00 H new ATOM 1252 N SER C 9 15.818 5.067 16.014 1.00 0.00 N0 ATOM 1253 CA SER C 9 16.203 6.145 16.906 1.00 0.00 C0 ATOM 1254 C SER C 9 17.304 5.704 17.870 1.00 0.00 C0 ATOM 1255 O SER C 9 18.327 6.371 18.000 1.00 0.00 O0 ATOM 1256 CB SER C 9 14.987 6.610 17.700 1.00 0.00 C0 ATOM 1257 OG SER C 9 15.369 7.663 18.573 1.00 0.00 O0 ATOM 0 H SER C 9 14.860 4.739 16.134 1.00 0.00 H new ATOM 0 HA SER C 9 16.589 6.965 16.300 1.00 0.00 H new ATOM 0 HB2 SER C 9 14.205 6.951 17.022 1.00 0.00 H new ATOM 0 HB3 SER C 9 14.573 5.780 18.273 1.00 0.00 H new ATOM 0 HG SER C 9 14.588 7.964 19.083 1.00 0.00 H new ATOM 1263 N ILE C 10 17.081 4.581 18.547 1.00 0.00 N0 ATOM 1264 CA ILE C 10 18.057 4.074 19.502 1.00 0.00 C0 ATOM 1265 C ILE C 10 19.298 3.537 18.786 1.00 0.00 C0 ATOM 1266 O ILE C 10 20.403 3.596 19.324 1.00 0.00 O0 ATOM 1267 CB ILE C 10 17.421 2.986 20.375 1.00 0.00 C0 ATOM 1268 CG1 ILE C 10 18.331 2.689 21.569 1.00 0.00 C0 ATOM 1269 CG2 ILE C 10 17.216 1.708 19.562 1.00 0.00 C0 ATOM 1270 CD1 ILE C 10 17.564 1.863 22.604 1.00 0.00 C0 ATOM 0 H ILE C 10 16.241 4.011 18.452 1.00 0.00 H new ATOM 0 HA ILE C 10 18.373 4.897 20.142 1.00 0.00 H new ATOM 0 HB ILE C 10 16.453 3.340 20.730 1.00 0.00 H new ATOM 0 HG12 ILE C 10 19.216 2.146 21.239 1.00 0.00 H new ATOM 0 HG13 ILE C 10 18.677 3.621 22.016 1.00 0.00 H new ATOM 0 HG21 ILE C 10 16.764 0.944 20.194 1.00 0.00 H new ATOM 0 HG22 ILE C 10 16.559 1.916 18.717 1.00 0.00 H new ATOM 0 HG23 ILE C 10 18.179 1.352 19.195 1.00 0.00 H new ATOM 0 HD11 ILE C 10 18.213 1.652 23.454 1.00 0.00 H new ATOM 0 HD12 ILE C 10 16.692 2.423 22.943 1.00 0.00 H new ATOM 0 HD13 ILE C 10 17.240 0.925 22.153 1.00 0.00 H new ATOM 1282 N CYS C 11 19.123 3.027 17.570 1.00 0.00 N0 ATOM 1283 CA CYS C 11 20.255 2.504 16.812 1.00 0.00 C0 ATOM 1284 C CYS C 11 21.188 3.629 16.376 1.00 0.00 C0 ATOM 1285 O CYS C 11 22.392 3.582 16.637 1.00 0.00 O0 ATOM 1286 CB CYS C 11 19.751 1.758 15.577 1.00 0.00 C0 ATOM 1287 SG CYS C 11 19.131 0.131 16.065 1.00 0.00 S0 ATOM 0 H CYS C 11 18.223 2.965 17.094 1.00 0.00 H new ATOM 0 HA CYS C 11 20.809 1.822 17.457 1.00 0.00 H new ATOM 0 HB2 CYS C 11 18.960 2.330 15.092 1.00 0.00 H new ATOM 0 HB3 CYS C 11 20.557 1.649 14.851 1.00 0.00 H new ATOM 0 HG CYS C 11 17.887 0.232 16.430 1.00 0.00 H new ATOM 1293 N SER C 12 20.637 4.635 15.700 1.00 0.00 N0 ATOM 1294 CA SER C 12 21.445 5.754 15.235 1.00 0.00 C0 ATOM 1295 C SER C 12 22.056 6.500 16.411 1.00 0.00 C0 ATOM 1296 O SER C 12 23.206 6.926 16.355 1.00 0.00 O0 ATOM 1297 CB SER C 12 20.593 6.713 14.403 1.00 0.00 C0 ATOM 1298 OG SER C 12 21.409 7.784 13.948 1.00 0.00 O0 ATOM 0 H SER C 12 19.646 4.696 15.465 1.00 0.00 H new ATOM 0 HA SER C 12 22.249 5.358 14.614 1.00 0.00 H new ATOM 0 HB2 SER C 12 20.155 6.187 13.555 1.00 0.00 H new ATOM 0 HB3 SER C 12 19.767 7.097 15.001 1.00 0.00 H new ATOM 0 HG SER C 12 20.869 8.402 13.412 1.00 0.00 H new ATOM 1304 N PHE C 13 21.278 6.665 17.474 1.00 0.00 N0 ATOM 1305 CA PHE C 13 21.759 7.374 18.651 1.00 0.00 C0 ATOM 1306 C PHE C 13 22.993 6.674 19.229 1.00 0.00 C0 ATOM 1307 O PHE C 13 23.989 7.325 19.548 1.00 0.00 O0 ATOM 1308 CB PHE C 13 20.650 7.442 19.701 1.00 0.00 C0 ATOM 1309 CG PHE C 13 21.064 8.382 20.805 1.00 0.00 C0 ATOM 1310 CD1 PHE C 13 20.991 9.765 20.602 1.00 0.00 C0 ATOM 1311 CD2 PHE C 13 21.519 7.874 22.025 1.00 0.00 C0 ATOM 1312 CE1 PHE C 13 21.376 10.642 21.622 1.00 0.00 C0 ATOM 1313 CE2 PHE C 13 21.905 8.751 23.046 1.00 0.00 C0 ATOM 1314 CZ PHE C 13 21.833 10.134 22.845 1.00 0.00 C0 ATOM 0 H PHE C 13 20.320 6.321 17.545 1.00 0.00 H new ATOM 0 HA PHE C 13 22.041 8.387 18.363 1.00 0.00 H new ATOM 0 HB2 PHE C 13 19.722 7.786 19.244 1.00 0.00 H new ATOM 0 HB3 PHE C 13 20.457 6.449 20.107 1.00 0.00 H new ATOM 0 HD1 PHE C 13 20.638 10.155 19.659 1.00 0.00 H new ATOM 0 HD2 PHE C 13 21.573 6.807 22.180 1.00 0.00 H new ATOM 0 HE1 PHE C 13 21.321 11.709 21.467 1.00 0.00 H new ATOM 0 HE2 PHE C 13 22.258 8.360 23.989 1.00 0.00 H new ATOM 0 HZ PHE C 13 22.130 10.810 23.633 1.00 0.00 H new ATOM 1324 N ILE C 14 22.923 5.350 19.362 1.00 0.00 N0 ATOM 1325 CA ILE C 14 24.050 4.584 19.896 1.00 0.00 C0 ATOM 1326 C ILE C 14 25.286 4.719 19.004 1.00 0.00 C0 ATOM 1327 O ILE C 14 26.397 4.919 19.493 1.00 0.00 O0 ATOM 1328 CB ILE C 14 23.669 3.104 20.018 1.00 0.00 C0 ATOM 1329 CG1 ILE C 14 22.668 2.932 21.164 1.00 0.00 C0 ATOM 1330 CG2 ILE C 14 24.922 2.271 20.299 1.00 0.00 C0 ATOM 1331 CD1 ILE C 14 22.040 1.537 21.098 1.00 0.00 C0 ATOM 0 H ILE C 14 22.108 4.790 19.111 1.00 0.00 H new ATOM 0 HA ILE C 14 24.289 4.985 20.881 1.00 0.00 H new ATOM 0 HB ILE C 14 23.217 2.766 19.086 1.00 0.00 H new ATOM 0 HG12 ILE C 14 23.170 3.070 22.122 1.00 0.00 H new ATOM 0 HG13 ILE C 14 21.891 3.694 21.098 1.00 0.00 H new ATOM 0 HG21 ILE C 14 24.648 1.220 20.385 1.00 0.00 H new ATOM 0 HG22 ILE C 14 25.632 2.395 19.482 1.00 0.00 H new ATOM 0 HG23 ILE C 14 25.379 2.604 21.231 1.00 0.00 H new ATOM 0 HD11 ILE C 14 21.329 1.419 21.915 1.00 0.00 H new ATOM 0 HD12 ILE C 14 21.523 1.416 20.146 1.00 0.00 H new ATOM 0 HD13 ILE C 14 22.821 0.782 21.185 1.00 0.00 H new ATOM 1343 N LEU C 15 25.084 4.595 17.697 1.00 0.00 N0 ATOM 1344 CA LEU C 15 26.188 4.692 16.745 1.00 0.00 C0 ATOM 1345 C LEU C 15 26.770 6.108 16.701 1.00 0.00 C0 ATOM 1346 O LEU C 15 27.951 6.292 16.405 1.00 0.00 O0 ATOM 1347 CB LEU C 15 25.698 4.309 15.347 1.00 0.00 C0 ATOM 1348 CG LEU C 15 25.318 2.825 15.314 1.00 0.00 C0 ATOM 1349 CD1 LEU C 15 24.594 2.515 14.001 1.00 0.00 C0 ATOM 1350 CD2 LEU C 15 26.584 1.968 15.413 1.00 0.00 C0 ATOM 0 H LEU C 15 24.172 4.428 17.273 1.00 0.00 H new ATOM 0 HA LEU C 15 26.971 4.008 17.072 1.00 0.00 H new ATOM 0 HB2 LEU C 15 24.837 4.920 15.074 1.00 0.00 H new ATOM 0 HB3 LEU C 15 26.477 4.510 14.612 1.00 0.00 H new ATOM 0 HG LEU C 15 24.662 2.600 16.155 1.00 0.00 H new ATOM 0 HD11 LEU C 15 24.323 1.460 13.975 1.00 0.00 H new ATOM 0 HD12 LEU C 15 23.692 3.123 13.930 1.00 0.00 H new ATOM 0 HD13 LEU C 15 25.251 2.741 13.161 1.00 0.00 H new ATOM 0 HD21 LEU C 15 26.312 0.913 15.389 1.00 0.00 H new ATOM 0 HD22 LEU C 15 27.242 2.192 14.573 1.00 0.00 H new ATOM 0 HD23 LEU C 15 27.101 2.189 16.347 1.00 0.00 H new ATOM 1362 N SER C 16 25.944 7.102 17.012 1.00 0.00 N0 ATOM 1363 CA SER C 16 26.405 8.487 17.008 1.00 0.00 C0 ATOM 1364 C SER C 16 27.272 8.772 18.230 1.00 0.00 C0 ATOM 1365 O SER C 16 28.307 9.435 18.131 1.00 0.00 O0 ATOM 1366 CB SER C 16 25.210 9.443 17.003 1.00 0.00 C0 ATOM 1367 OG SER C 16 24.581 9.416 18.277 1.00 0.00 O0 ATOM 0 H SER C 16 24.964 6.978 17.267 1.00 0.00 H new ATOM 0 HA SER C 16 26.999 8.641 16.107 1.00 0.00 H new ATOM 0 HB2 SER C 16 25.540 10.455 16.769 1.00 0.00 H new ATOM 0 HB3 SER C 16 24.501 9.152 16.228 1.00 0.00 H new ATOM 0 HG SER C 16 24.470 8.487 18.567 1.00 0.00 H new ATOM 1373 N ALA C 17 26.840 8.265 19.378 1.00 0.00 N0 ATOM 1374 CA ALA C 17 27.577 8.465 20.618 1.00 0.00 C0 ATOM 1375 C ALA C 17 28.911 7.744 20.571 1.00 0.00 C0 ATOM 1376 O ALA C 17 29.935 8.271 21.010 1.00 0.00 O0 ATOM 1377 CB ALA C 17 26.765 7.939 21.803 1.00 0.00 C0 ATOM 0 H ALA C 17 25.987 7.715 19.476 1.00 0.00 H new ATOM 0 HA ALA C 17 27.753 9.534 20.739 1.00 0.00 H new ATOM 0 HB1 ALA C 17 27.325 8.093 22.725 1.00 0.00 H new ATOM 0 HB2 ALA C 17 25.817 8.474 21.860 1.00 0.00 H new ATOM 0 HB3 ALA C 17 26.573 6.874 21.669 1.00 0.00 H new ATOM 1383 N LEU C 18 28.895 6.539 20.026 1.00 0.00 N0 ATOM 1384 CA LEU C 18 30.109 5.752 19.920 1.00 0.00 C0 ATOM 1385 C LEU C 18 31.037 6.350 18.873 1.00 0.00 C0 ATOM 1386 O LEU C 18 32.261 6.277 19.011 1.00 0.00 O0 ATOM 1387 CB LEU C 18 29.762 4.309 19.546 1.00 0.00 C0 ATOM 1388 CG LEU C 18 28.958 3.659 20.679 1.00 0.00 C0 ATOM 1389 CD1 LEU C 18 28.442 2.293 20.222 1.00 0.00 C0 ATOM 1390 CD2 LEU C 18 29.856 3.477 21.910 1.00 0.00 C0 ATOM 0 H LEU C 18 28.060 6.088 19.653 1.00 0.00 H new ATOM 0 HA LEU C 18 30.618 5.760 20.884 1.00 0.00 H new ATOM 0 HB2 LEU C 18 29.185 4.292 18.622 1.00 0.00 H new ATOM 0 HB3 LEU C 18 30.674 3.741 19.363 1.00 0.00 H new ATOM 0 HG LEU C 18 28.115 4.301 20.936 1.00 0.00 H new ATOM 0 HD11 LEU C 18 27.871 1.832 21.028 1.00 0.00 H new ATOM 0 HD12 LEU C 18 27.801 2.419 19.349 1.00 0.00 H new ATOM 0 HD13 LEU C 18 29.286 1.653 19.963 1.00 0.00 H new ATOM 0 HD21 LEU C 18 29.283 3.015 22.714 1.00 0.00 H new ATOM 0 HD22 LEU C 18 30.701 2.838 21.653 1.00 0.00 H new ATOM 0 HD23 LEU C 18 30.224 4.449 22.239 1.00 0.00 H new ATOM 1402 N HIS C 19 30.456 6.964 17.838 1.00 0.00 N0 ATOM 1403 CA HIS C 19 31.247 7.590 16.788 1.00 0.00 C0 ATOM 1404 C HIS C 19 32.047 8.767 17.327 1.00 0.00 C0 ATOM 1405 O HIS C 19 33.252 8.874 17.088 1.00 0.00 O0 ATOM 1406 CB HIS C 19 30.327 8.074 15.665 1.00 0.00 C0 ATOM 1407 CG HIS C 19 31.142 8.753 14.600 1.00 0.00 C0 ATOM 1408 ND1 HIS C 19 31.958 8.047 13.730 1.00 0.00 N0 ATOM 1409 CD2 HIS C 19 31.275 10.073 14.247 1.00 0.00 C0 ATOM 1410 CE1 HIS C 19 32.539 8.936 12.905 1.00 0.00 C0 ATOM 1411 NE2 HIS C 19 32.158 10.185 13.177 1.00 0.00 N0 ATOM 0 H HIS C 19 29.447 7.038 17.710 1.00 0.00 H new ATOM 0 HA HIS C 19 31.945 6.846 16.403 1.00 0.00 H new ATOM 0 HB2 HIS C 19 29.783 7.231 15.238 1.00 0.00 H new ATOM 0 HB3 HIS C 19 29.583 8.764 16.063 1.00 0.00 H new ATOM 0 HD2 HIS C 19 30.771 10.899 14.727 1.00 0.00 H new ATOM 0 HE1 HIS C 19 33.230 8.671 12.118 1.00 0.00 H new ATOM 0 HE2 HIS C 19 32.451 11.039 12.703 1.00 0.00 H new ATOM 1419 N PHE C 20 31.382 9.643 18.077 1.00 0.00 N0 ATOM 1420 CA PHE C 20 32.068 10.791 18.649 1.00 0.00 C0 ATOM 1421 C PHE C 20 33.028 10.335 19.736 1.00 0.00 C0 ATOM 1422 O PHE C 20 34.038 10.982 19.987 1.00 0.00 O0 ATOM 1423 CB PHE C 20 31.072 11.809 19.207 1.00 0.00 C0 ATOM 1424 CG PHE C 20 31.069 13.030 18.314 1.00 0.00 C0 ATOM 1425 CD1 PHE C 20 30.083 13.183 17.331 1.00 0.00 C0 ATOM 1426 CD2 PHE C 20 32.064 14.005 18.463 1.00 0.00 C0 ATOM 1427 CE1 PHE C 20 30.093 14.311 16.498 1.00 0.00 C0 ATOM 1428 CE2 PHE C 20 32.071 15.133 17.632 1.00 0.00 C0 ATOM 1429 CZ PHE C 20 31.086 15.286 16.650 1.00 0.00 C0 ATOM 0 H PHE C 20 30.388 9.580 18.298 1.00 0.00 H new ATOM 0 HA PHE C 20 32.635 11.280 17.857 1.00 0.00 H new ATOM 0 HB2 PHE C 20 30.074 11.374 19.254 1.00 0.00 H new ATOM 0 HB3 PHE C 20 31.347 12.087 20.225 1.00 0.00 H new ATOM 0 HD1 PHE C 20 29.315 12.432 17.215 1.00 0.00 H new ATOM 0 HD2 PHE C 20 32.826 13.887 19.219 1.00 0.00 H new ATOM 0 HE1 PHE C 20 29.334 14.428 15.739 1.00 0.00 H new ATOM 0 HE2 PHE C 20 32.837 15.885 17.749 1.00 0.00 H new ATOM 0 HZ PHE C 20 31.092 16.156 16.010 1.00 0.00 H new ATOM 1439 N MET C 21 32.705 9.221 20.383 1.00 0.00 N0 ATOM 1440 CA MET C 21 33.561 8.700 21.441 1.00 0.00 C0 ATOM 1441 C MET C 21 34.944 8.346 20.890 1.00 0.00 C0 ATOM 1442 O MET C 21 35.970 8.812 21.400 1.00 0.00 O0 ATOM 1443 CB MET C 21 32.925 7.455 22.061 1.00 0.00 C0 ATOM 1444 CG MET C 21 32.715 7.694 23.559 1.00 0.00 C0 ATOM 1445 SD MET C 21 31.202 8.656 23.812 1.00 0.00 S0 ATOM 1446 CE MET C 21 31.345 8.847 25.606 1.00 0.00 C0 ATOM 0 H MET C 21 31.868 8.668 20.197 1.00 0.00 H new ATOM 0 HA MET C 21 33.672 9.471 22.204 1.00 0.00 H new ATOM 0 HB2 MET C 21 31.972 7.239 21.577 1.00 0.00 H new ATOM 0 HB3 MET C 21 33.566 6.587 21.905 1.00 0.00 H new ATOM 0 HG2 MET C 21 32.645 6.741 24.084 1.00 0.00 H new ATOM 0 HG3 MET C 21 33.570 8.225 23.977 1.00 0.00 H new ATOM 0 HE1 MET C 21 30.497 9.422 25.979 1.00 0.00 H new ATOM 0 HE2 MET C 21 31.353 7.864 26.077 1.00 0.00 H new ATOM 0 HE3 MET C 21 32.271 9.370 25.844 1.00 0.00 H new ATOM 1456 N ALA C 22 34.963 7.521 19.850 1.00 0.00 N0 ATOM 1457 CA ALA C 22 36.226 7.115 19.241 1.00 0.00 C0 ATOM 1458 C ALA C 22 36.937 8.321 18.638 1.00 0.00 C0 ATOM 1459 O ALA C 22 38.158 8.429 18.706 1.00 0.00 O0 ATOM 1460 CB ALA C 22 35.991 6.064 18.158 1.00 0.00 C0 ATOM 0 H ALA C 22 34.131 7.124 19.415 1.00 0.00 H new ATOM 0 HA ALA C 22 36.853 6.683 20.021 1.00 0.00 H new ATOM 0 HB1 ALA C 22 36.945 5.776 17.717 1.00 0.00 H new ATOM 0 HB2 ALA C 22 35.515 5.188 18.598 1.00 0.00 H new ATOM 0 HB3 ALA C 22 35.344 6.477 17.384 1.00 0.00 H new ATOM 1466 N TRP C 23 36.171 9.224 18.038 1.00 0.00 N0 ATOM 1467 CA TRP C 23 36.759 10.407 17.428 1.00 0.00 C0 ATOM 1468 C TRP C 23 37.445 11.282 18.475 1.00 0.00 C0 ATOM 1469 O TRP C 23 38.591 11.696 18.295 1.00 0.00 O0 ATOM 1470 CB TRP C 23 35.678 11.205 16.709 1.00 0.00 C0 ATOM 1471 CG TRP C 23 36.092 11.421 15.292 1.00 0.00 C0 ATOM 1472 CD1 TRP C 23 35.647 10.715 14.228 1.00 0.00 C0 ATOM 1473 CD2 TRP C 23 37.031 12.403 14.769 1.00 0.00 C0 ATOM 1474 NE1 TRP C 23 36.255 11.202 13.083 1.00 0.00 N0 ATOM 1475 CE2 TRP C 23 37.117 12.243 13.367 1.00 0.00 C0 ATOM 1476 CE3 TRP C 23 37.809 13.406 15.374 1.00 0.00 C0 ATOM 1477 CZ2 TRP C 23 37.948 13.053 12.591 1.00 0.00 C0 ATOM 1478 CZ3 TRP C 23 38.645 14.223 14.597 1.00 0.00 C0 ATOM 1479 CH2 TRP C 23 38.715 14.047 13.208 1.00 0.00 C0 ATOM 0 H TRP C 23 35.156 9.161 17.962 1.00 0.00 H new ATOM 0 HA TRP C 23 37.513 10.085 16.710 1.00 0.00 H new ATOM 0 HB2 TRP C 23 34.729 10.671 16.746 1.00 0.00 H new ATOM 0 HB3 TRP C 23 35.524 12.163 17.206 1.00 0.00 H new ATOM 0 HD1 TRP C 23 34.934 9.904 14.265 1.00 0.00 H new ATOM 0 HE1 TRP C 23 36.087 10.837 12.146 1.00 0.00 H new ATOM 0 HE3 TRP C 23 37.763 13.549 16.444 1.00 0.00 H new ATOM 0 HZ2 TRP C 23 37.998 12.913 11.521 1.00 0.00 H new ATOM 0 HZ3 TRP C 23 39.237 14.991 15.072 1.00 0.00 H new ATOM 0 HH2 TRP C 23 39.360 14.678 12.615 1.00 0.00 H new ATOM 1490 N THR C 24 36.738 11.568 19.565 1.00 0.00 N0 ATOM 1491 CA THR C 24 37.291 12.399 20.630 1.00 0.00 C0 ATOM 1492 C THR C 24 38.619 11.836 21.117 1.00 0.00 C0 ATOM 1493 O THR C 24 39.615 12.556 21.194 1.00 0.00 O0 ATOM 1494 CB THR C 24 36.311 12.475 21.807 1.00 0.00 C0 ATOM 1495 OG1 THR C 24 35.693 11.212 21.990 1.00 0.00 O0 ATOM 1496 CG2 THR C 24 35.240 13.532 21.534 1.00 0.00 C0 ATOM 0 H THR C 24 35.787 11.239 19.733 1.00 0.00 H new ATOM 0 HA THR C 24 37.455 13.399 20.228 1.00 0.00 H new ATOM 0 HB THR C 24 36.859 12.750 22.708 1.00 0.00 H new ATOM 0 HG1 THR C 24 34.853 11.183 21.486 1.00 0.00 H new ATOM 0 HG21 THR C 24 34.550 13.577 22.377 1.00 0.00 H new ATOM 0 HG22 THR C 24 35.714 14.504 21.401 1.00 0.00 H new ATOM 0 HG23 THR C 24 34.692 13.269 20.629 1.00 0.00 H new ATOM 1504 N ILE C 25 38.641 10.546 21.441 1.00 0.00 N0 ATOM 1505 CA ILE C 25 39.877 9.935 21.912 1.00 0.00 C0 ATOM 1506 C ILE C 25 40.927 9.935 20.801 1.00 0.00 C0 ATOM 1507 O ILE C 25 42.122 10.081 21.058 1.00 0.00 O0 ATOM 1508 CB ILE C 25 39.617 8.509 22.410 1.00 0.00 C0 ATOM 1509 CG1 ILE C 25 40.938 7.893 22.899 1.00 0.00 C0 ATOM 1510 CG2 ILE C 25 39.037 7.658 21.283 1.00 0.00 C0 ATOM 1511 CD1 ILE C 25 40.674 6.644 23.762 1.00 0.00 C0 ATOM 0 H ILE C 25 37.839 9.918 21.388 1.00 0.00 H new ATOM 0 HA ILE C 25 40.258 10.523 22.747 1.00 0.00 H new ATOM 0 HB ILE C 25 38.901 8.540 23.232 1.00 0.00 H new ATOM 0 HG12 ILE C 25 41.558 7.625 22.043 1.00 0.00 H new ATOM 0 HG13 ILE C 25 41.495 8.629 23.478 1.00 0.00 H new ATOM 0 HG21 ILE C 25 38.856 6.647 21.647 1.00 0.00 H new ATOM 0 HG22 ILE C 25 38.098 8.095 20.943 1.00 0.00 H new ATOM 0 HG23 ILE C 25 39.743 7.624 20.453 1.00 0.00 H new ATOM 0 HD11 ILE C 25 41.623 6.226 24.096 1.00 0.00 H new ATOM 0 HD12 ILE C 25 40.074 6.921 24.629 1.00 0.00 H new ATOM 0 HD13 ILE C 25 40.138 5.901 23.172 1.00 0.00 H new ATOM 1523 N GLY C 26 40.466 9.783 19.567 1.00 0.00 N0 ATOM 1524 CA GLY C 26 41.368 9.775 18.423 1.00 0.00 C0 ATOM 1525 C GLY C 26 42.145 11.086 18.343 1.00 0.00 C0 ATOM 1526 O GLY C 26 43.371 11.085 18.230 1.00 0.00 O0 ATOM 0 H GLY C 26 39.480 9.664 19.333 1.00 0.00 H new ATOM 0 HA2 GLY C 26 42.062 8.939 18.506 1.00 0.00 H new ATOM 0 HA3 GLY C 26 40.799 9.627 17.505 1.00 0.00 H new ATOM 1530 N HIS C 27 41.424 12.202 18.412 1.00 0.00 N0 ATOM 1531 CA HIS C 27 42.052 13.517 18.355 1.00 0.00 C0 ATOM 1532 C HIS C 27 42.935 13.744 19.578 1.00 0.00 C0 ATOM 1533 O HIS C 27 43.981 14.386 19.487 1.00 0.00 O0 ATOM 1534 CB HIS C 27 40.990 14.617 18.278 1.00 0.00 C0 ATOM 1535 CG HIS C 27 41.659 15.928 17.959 1.00 0.00 C0 ATOM 1536 ND1 HIS C 27 42.285 16.696 18.928 1.00 0.00 N0 ATOM 1537 CD2 HIS C 27 41.816 16.614 16.779 1.00 0.00 C0 ATOM 1538 CE1 HIS C 27 42.784 17.788 18.322 1.00 0.00 C0 ATOM 1539 NE2 HIS C 27 42.526 17.789 17.012 1.00 0.00 N0 ATOM 0 H HIS C 27 40.409 12.221 18.507 1.00 0.00 H new ATOM 0 HA HIS C 27 42.671 13.556 17.458 1.00 0.00 H new ATOM 0 HB2 HIS C 27 40.253 14.375 17.512 1.00 0.00 H new ATOM 0 HB3 HIS C 27 40.454 14.689 19.224 1.00 0.00 H new ATOM 0 HD2 HIS C 27 41.445 16.291 15.817 1.00 0.00 H new ATOM 0 HE1 HIS C 27 43.327 18.569 18.833 1.00 0.00 H new ATOM 0 HE2 HIS C 27 42.792 18.498 16.329 1.00 0.00 H new ATOM 1547 N LEU C 28 42.507 13.210 20.719 1.00 0.00 N0 ATOM 1548 CA LEU C 28 43.271 13.358 21.956 1.00 0.00 C0 ATOM 1549 C LEU C 28 44.652 12.721 21.822 1.00 0.00 C0 ATOM 1550 O LEU C 28 45.625 13.212 22.391 1.00 0.00 O0 ATOM 1551 CB LEU C 28 42.522 12.699 23.118 1.00 0.00 C0 ATOM 1552 CG LEU C 28 41.961 13.777 24.049 1.00 0.00 C0 ATOM 1553 CD1 LEU C 28 40.647 14.316 23.482 1.00 0.00 C0 ATOM 1554 CD2 LEU C 28 41.709 13.169 25.430 1.00 0.00 C0 ATOM 0 H LEU C 28 41.643 12.676 20.814 1.00 0.00 H new ATOM 0 HA LEU C 28 43.391 14.423 22.153 1.00 0.00 H new ATOM 0 HB2 LEU C 28 41.712 12.078 22.735 1.00 0.00 H new ATOM 0 HB3 LEU C 28 43.194 12.042 23.670 1.00 0.00 H new ATOM 0 HG LEU C 28 42.678 14.594 24.132 1.00 0.00 H new ATOM 0 HD11 LEU C 28 40.251 15.083 24.148 1.00 0.00 H new ATOM 0 HD12 LEU C 28 40.825 14.747 22.497 1.00 0.00 H new ATOM 0 HD13 LEU C 28 39.927 13.502 23.397 1.00 0.00 H new ATOM 0 HD21 LEU C 28 41.309 13.933 26.097 1.00 0.00 H new ATOM 0 HD22 LEU C 28 40.992 12.353 25.343 1.00 0.00 H new ATOM 0 HD23 LEU C 28 42.646 12.787 25.836 1.00 0.00 H new ATOM 1751 N GLN D 6 9.934 15.026 14.684 1.00 0.00 N0 ATOM 1752 CA GLN D 6 10.518 16.324 14.988 1.00 0.00 C0 ATOM 1753 C GLN D 6 11.791 16.170 15.809 1.00 0.00 C0 ATOM 1754 O GLN D 6 12.781 16.860 15.567 1.00 0.00 O0 ATOM 1755 CB GLN D 6 9.518 17.186 15.756 1.00 0.00 C0 ATOM 1756 CG GLN D 6 10.152 18.545 16.064 1.00 0.00 C0 ATOM 1757 CD GLN D 6 9.135 19.457 16.740 1.00 0.00 C0 ATOM 1758 OE1 GLN D 6 8.487 19.058 17.707 1.00 0.00 O0 ATOM 1759 NE2 GLN D 6 8.956 20.667 16.282 1.00 0.00 N0 ATOM 0 HA GLN D 6 10.767 16.809 14.044 1.00 0.00 H new ATOM 0 HB2 GLN D 6 8.610 17.320 15.168 1.00 0.00 H new ATOM 0 HB3 GLN D 6 9.228 16.689 16.682 1.00 0.00 H new ATOM 0 HG2 GLN D 6 11.019 18.412 16.711 1.00 0.00 H new ATOM 0 HG3 GLN D 6 10.509 19.005 15.143 1.00 0.00 H new ATOM 0 HE21 GLN D 6 9.495 20.994 15.480 1.00 0.00 H new ATOM 0 HE22 GLN D 6 8.277 21.285 16.726 1.00 0.00 H new ATOM 1768 N ILE D 7 11.762 15.268 16.784 1.00 0.00 N0 ATOM 1769 CA ILE D 7 12.923 15.045 17.637 1.00 0.00 C0 ATOM 1770 C ILE D 7 14.099 14.505 16.833 1.00 0.00 C0 ATOM 1771 O ILE D 7 15.210 15.016 16.929 1.00 0.00 O0 ATOM 1772 CB ILE D 7 12.570 14.045 18.728 1.00 0.00 C0 ATOM 1773 CG1 ILE D 7 11.500 14.644 19.634 1.00 0.00 C0 ATOM 1774 CG2 ILE D 7 13.815 13.732 19.560 1.00 0.00 C0 ATOM 1775 CD1 ILE D 7 10.929 13.546 20.527 1.00 0.00 C0 ATOM 0 H ILE D 7 10.955 14.684 17.002 1.00 0.00 H new ATOM 0 HA ILE D 7 13.208 16.000 18.077 1.00 0.00 H new ATOM 0 HB ILE D 7 12.197 13.128 18.271 1.00 0.00 H new ATOM 0 HG12 ILE D 7 11.927 15.441 20.244 1.00 0.00 H new ATOM 0 HG13 ILE D 7 10.707 15.091 19.035 1.00 0.00 H new ATOM 0 HG21 ILE D 7 13.560 13.016 20.341 1.00 0.00 H new ATOM 0 HG22 ILE D 7 14.586 13.308 18.916 1.00 0.00 H new ATOM 0 HG23 ILE D 7 14.188 14.649 20.017 1.00 0.00 H new ATOM 0 HD11 ILE D 7 10.163 13.968 21.178 1.00 0.00 H new ATOM 0 HD12 ILE D 7 10.489 12.765 19.907 1.00 0.00 H new ATOM 0 HD13 ILE D 7 11.727 13.120 21.135 1.00 0.00 H new ATOM 1787 N LEU D 8 13.858 13.453 16.058 1.00 0.00 N0 ATOM 1788 CA LEU D 8 14.918 12.846 15.262 1.00 0.00 C0 ATOM 1789 C LEU D 8 15.434 13.822 14.213 1.00 0.00 C0 ATOM 1790 O LEU D 8 16.628 13.852 13.911 1.00 0.00 O0 ATOM 1791 CB LEU D 8 14.385 11.594 14.564 1.00 0.00 C0 ATOM 1792 CG LEU D 8 15.555 10.774 14.016 1.00 0.00 C0 ATOM 1793 CD1 LEU D 8 16.097 9.866 15.121 1.00 0.00 C0 ATOM 1794 CD2 LEU D 8 15.079 9.920 12.838 1.00 0.00 C0 ATOM 0 H LEU D 8 12.946 13.006 15.964 1.00 0.00 H new ATOM 0 HA LEU D 8 15.738 12.580 15.929 1.00 0.00 H new ATOM 0 HB2 LEU D 8 13.804 10.994 15.265 1.00 0.00 H new ATOM 0 HB3 LEU D 8 13.714 11.876 13.753 1.00 0.00 H new ATOM 0 HG LEU D 8 16.343 11.446 13.676 1.00 0.00 H new ATOM 0 HD11 LEU D 8 16.931 9.280 14.734 1.00 0.00 H new ATOM 0 HD12 LEU D 8 16.439 10.475 15.958 1.00 0.00 H new ATOM 0 HD13 LEU D 8 15.308 9.194 15.460 1.00 0.00 H new ATOM 0 HD21 LEU D 8 15.914 9.337 12.450 1.00 0.00 H new ATOM 0 HD22 LEU D 8 14.291 9.246 13.173 1.00 0.00 H new ATOM 0 HD23 LEU D 8 14.692 10.568 12.051 1.00 0.00 H new ATOM 1806 N SER D 9 14.522 14.613 13.662 1.00 0.00 N0 ATOM 1807 CA SER D 9 14.882 15.584 12.642 1.00 0.00 C0 ATOM 1808 C SER D 9 15.807 16.664 13.205 1.00 0.00 C0 ATOM 1809 O SER D 9 16.862 16.944 12.639 1.00 0.00 O0 ATOM 1810 CB SER D 9 13.618 16.235 12.089 1.00 0.00 C0 ATOM 1811 OG SER D 9 13.977 17.184 11.094 1.00 0.00 O0 ATOM 0 H SER D 9 13.531 14.600 13.905 1.00 0.00 H new ATOM 0 HA SER D 9 15.412 15.061 11.846 1.00 0.00 H new ATOM 0 HB2 SER D 9 12.960 15.477 11.664 1.00 0.00 H new ATOM 0 HB3 SER D 9 13.065 16.723 12.892 1.00 0.00 H new ATOM 0 HG SER D 9 13.167 17.604 10.735 1.00 0.00 H new ATOM 1817 N ILE D 10 15.403 17.269 14.317 1.00 0.00 N0 ATOM 1818 CA ILE D 10 16.203 18.319 14.931 1.00 0.00 C0 ATOM 1819 C ILE D 10 17.470 17.748 15.569 1.00 0.00 C0 ATOM 1820 O ILE D 10 18.497 18.422 15.629 1.00 0.00 O0 ATOM 1821 CB ILE D 10 15.369 19.071 15.975 1.00 0.00 C0 ATOM 1822 CG1 ILE D 10 16.094 20.356 16.380 1.00 0.00 C0 ATOM 1823 CG2 ILE D 10 15.159 18.195 17.211 1.00 0.00 C0 ATOM 1824 CD1 ILE D 10 15.134 21.259 17.156 1.00 0.00 C0 ATOM 0 H ILE D 10 14.535 17.052 14.807 1.00 0.00 H new ATOM 0 HA ILE D 10 16.509 19.016 14.151 1.00 0.00 H new ATOM 0 HB ILE D 10 14.399 19.317 15.543 1.00 0.00 H new ATOM 0 HG12 ILE D 10 16.963 20.118 16.994 1.00 0.00 H new ATOM 0 HG13 ILE D 10 16.461 20.874 15.494 1.00 0.00 H new ATOM 0 HG21 ILE D 10 14.566 18.739 17.946 1.00 0.00 H new ATOM 0 HG22 ILE D 10 14.636 17.282 16.926 1.00 0.00 H new ATOM 0 HG23 ILE D 10 16.126 17.938 17.644 1.00 0.00 H new ATOM 0 HD11 ILE D 10 15.649 22.175 17.445 1.00 0.00 H new ATOM 0 HD12 ILE D 10 14.279 21.507 16.527 1.00 0.00 H new ATOM 0 HD13 ILE D 10 14.788 20.740 18.050 1.00 0.00 H new ATOM 1836 N CYS D 11 17.412 16.496 16.021 1.00 0.00 N0 ATOM 1837 CA CYS D 11 18.583 15.872 16.626 1.00 0.00 C0 ATOM 1838 C CYS D 11 19.654 15.600 15.578 1.00 0.00 C0 ATOM 1839 O CYS D 11 20.805 16.012 15.736 1.00 0.00 O0 ATOM 1840 CB CYS D 11 18.181 14.559 17.297 1.00 0.00 C0 ATOM 1841 SG CYS D 11 17.364 14.910 18.874 1.00 0.00 S0 ATOM 0 H CYS D 11 16.582 15.905 15.981 1.00 0.00 H new ATOM 0 HA CYS D 11 18.990 16.556 17.371 1.00 0.00 H new ATOM 0 HB2 CYS D 11 17.512 13.996 16.646 1.00 0.00 H new ATOM 0 HB3 CYS D 11 19.062 13.938 17.462 1.00 0.00 H new ATOM 0 HG CYS D 11 16.102 15.143 18.666 1.00 0.00 H new ATOM 1847 N SER D 12 19.287 14.888 14.515 1.00 0.00 N0 ATOM 1848 CA SER D 12 20.243 14.567 13.464 1.00 0.00 C0 ATOM 1849 C SER D 12 20.762 15.834 12.803 1.00 0.00 C0 ATOM 1850 O SER D 12 21.943 15.938 12.484 1.00 0.00 O0 ATOM 1851 CB SER D 12 19.589 13.669 12.414 1.00 0.00 C0 ATOM 1852 OG SER D 12 20.544 13.357 11.407 1.00 0.00 O0 ATOM 0 H SER D 12 18.345 14.527 14.361 1.00 0.00 H new ATOM 0 HA SER D 12 21.083 14.040 13.916 1.00 0.00 H new ATOM 0 HB2 SER D 12 19.220 12.754 12.879 1.00 0.00 H new ATOM 0 HB3 SER D 12 18.728 14.172 11.973 1.00 0.00 H new ATOM 0 HG SER D 12 20.130 12.780 10.732 1.00 0.00 H new ATOM 1858 N PHE D 13 19.871 16.795 12.592 1.00 0.00 N0 ATOM 1859 CA PHE D 13 20.256 18.046 11.958 1.00 0.00 C0 ATOM 1860 C PHE D 13 21.338 18.753 12.779 1.00 0.00 C0 ATOM 1861 O PHE D 13 22.337 19.213 12.230 1.00 0.00 O0 ATOM 1862 CB PHE D 13 19.032 18.953 11.815 1.00 0.00 C0 ATOM 1863 CG PHE D 13 19.383 20.130 10.942 1.00 0.00 C0 ATOM 1864 CD1 PHE D 13 19.461 19.969 9.554 1.00 0.00 C0 ATOM 1865 CD2 PHE D 13 19.634 21.381 11.517 1.00 0.00 C0 ATOM 1866 CE1 PHE D 13 19.790 21.057 8.740 1.00 0.00 C0 ATOM 1867 CE2 PHE D 13 19.962 22.470 10.702 1.00 0.00 C0 ATOM 1868 CZ PHE D 13 20.039 22.309 9.314 1.00 0.00 C0 ATOM 0 H PHE D 13 18.886 16.732 12.849 1.00 0.00 H new ATOM 0 HA PHE D 13 20.659 17.827 10.969 1.00 0.00 H new ATOM 0 HB2 PHE D 13 18.202 18.397 11.379 1.00 0.00 H new ATOM 0 HB3 PHE D 13 18.704 19.298 12.796 1.00 0.00 H new ATOM 0 HD1 PHE D 13 19.267 19.003 9.111 1.00 0.00 H new ATOM 0 HD2 PHE D 13 19.575 21.506 12.588 1.00 0.00 H new ATOM 0 HE1 PHE D 13 19.852 20.931 7.669 1.00 0.00 H new ATOM 0 HE2 PHE D 13 20.156 23.436 11.145 1.00 0.00 H new ATOM 0 HZ PHE D 13 20.291 23.151 8.686 1.00 0.00 H new ATOM 1878 N ILE D 14 21.140 18.826 14.099 1.00 0.00 N0 ATOM 1879 CA ILE D 14 22.120 19.470 14.973 1.00 0.00 C0 ATOM 1880 C ILE D 14 23.464 18.743 14.927 1.00 0.00 C0 ATOM 1881 O ILE D 14 24.517 19.375 14.839 1.00 0.00 O0 ATOM 1882 CB ILE D 14 21.603 19.494 16.414 1.00 0.00 C0 ATOM 1883 CG1 ILE D 14 20.452 20.500 16.523 1.00 0.00 C0 ATOM 1884 CG2 ILE D 14 22.733 19.901 17.363 1.00 0.00 C0 ATOM 1885 CD1 ILE D 14 19.718 20.306 17.853 1.00 0.00 C0 ATOM 0 H ILE D 14 20.321 18.452 14.579 1.00 0.00 H new ATOM 0 HA ILE D 14 22.266 20.490 14.618 1.00 0.00 H new ATOM 0 HB ILE D 14 21.247 18.501 16.688 1.00 0.00 H new ATOM 0 HG12 ILE D 14 20.838 21.517 16.455 1.00 0.00 H new ATOM 0 HG13 ILE D 14 19.760 20.366 15.692 1.00 0.00 H new ATOM 0 HG21 ILE D 14 22.360 19.917 18.387 1.00 0.00 H new ATOM 0 HG22 ILE D 14 23.550 19.183 17.285 1.00 0.00 H new ATOM 0 HG23 ILE D 14 23.095 20.893 17.093 1.00 0.00 H new ATOM 0 HD11 ILE D 14 18.901 21.024 17.926 1.00 0.00 H new ATOM 0 HD12 ILE D 14 19.317 19.293 17.903 1.00 0.00 H new ATOM 0 HD13 ILE D 14 20.413 20.463 18.678 1.00 0.00 H new ATOM 1897 N LEU D 15 23.427 17.418 15.004 1.00 0.00 N0 ATOM 1898 CA LEU D 15 24.650 16.620 14.985 1.00 0.00 C0 ATOM 1899 C LEU D 15 25.351 16.702 13.628 1.00 0.00 C0 ATOM 1900 O LEU D 15 26.573 16.572 13.543 1.00 0.00 O0 ATOM 1901 CB LEU D 15 24.308 15.158 15.290 1.00 0.00 C0 ATOM 1902 CG LEU D 15 23.806 15.027 16.732 1.00 0.00 C0 ATOM 1903 CD1 LEU D 15 23.229 13.624 16.945 1.00 0.00 C0 ATOM 1904 CD2 LEU D 15 24.970 15.250 17.703 1.00 0.00 C0 ATOM 0 H LEU D 15 22.568 16.874 15.080 1.00 0.00 H new ATOM 0 HA LEU D 15 25.326 17.017 15.742 1.00 0.00 H new ATOM 0 HB2 LEU D 15 23.546 14.802 14.597 1.00 0.00 H new ATOM 0 HB3 LEU D 15 25.188 14.532 15.144 1.00 0.00 H new ATOM 0 HG LEU D 15 23.032 15.773 16.915 1.00 0.00 H new ATOM 0 HD11 LEU D 15 22.872 13.529 17.970 1.00 0.00 H new ATOM 0 HD12 LEU D 15 22.400 13.463 16.255 1.00 0.00 H new ATOM 0 HD13 LEU D 15 24.004 12.880 16.761 1.00 0.00 H new ATOM 0 HD21 LEU D 15 24.612 15.157 18.728 1.00 0.00 H new ATOM 0 HD22 LEU D 15 25.744 14.505 17.520 1.00 0.00 H new ATOM 0 HD23 LEU D 15 25.383 16.247 17.553 1.00 0.00 H new ATOM 1916 N SER D 16 24.579 16.931 12.569 1.00 0.00 N0 ATOM 1917 CA SER D 16 25.155 17.032 11.231 1.00 0.00 C0 ATOM 1918 C SER D 16 25.882 18.360 11.054 1.00 0.00 C0 ATOM 1919 O SER D 16 26.974 18.414 10.483 1.00 0.00 O0 ATOM 1920 CB SER D 16 24.057 16.910 10.174 1.00 0.00 C0 ATOM 1921 OG SER D 16 23.270 18.096 10.173 1.00 0.00 O0 ATOM 0 H SER D 16 23.567 17.049 12.609 1.00 0.00 H new ATOM 0 HA SER D 16 25.871 16.219 11.108 1.00 0.00 H new ATOM 0 HB2 SER D 16 24.499 16.753 9.190 1.00 0.00 H new ATOM 0 HB3 SER D 16 23.429 16.044 10.383 1.00 0.00 H new ATOM 0 HG SER D 16 22.948 18.276 11.081 1.00 0.00 H new ATOM 1927 N ALA D 17 25.265 19.427 11.548 1.00 0.00 N0 ATOM 1928 CA ALA D 17 25.849 20.758 11.444 1.00 0.00 C0 ATOM 1929 C ALA D 17 27.110 20.855 12.282 1.00 0.00 C0 ATOM 1930 O ALA D 17 28.109 21.441 11.862 1.00 0.00 O0 ATOM 1931 CB ALA D 17 24.850 21.813 11.919 1.00 0.00 C0 ATOM 0 H ALA D 17 24.363 19.396 12.023 1.00 0.00 H new ATOM 0 HA ALA D 17 26.099 20.936 10.398 1.00 0.00 H new ATOM 0 HB1 ALA D 17 25.299 22.803 11.836 1.00 0.00 H new ATOM 0 HB2 ALA D 17 23.953 21.769 11.302 1.00 0.00 H new ATOM 0 HB3 ALA D 17 24.585 21.621 12.959 1.00 0.00 H new ATOM 1937 N LEU D 18 27.064 20.265 13.466 1.00 0.00 N0 ATOM 1938 CA LEU D 18 28.208 20.287 14.354 1.00 0.00 C0 ATOM 1939 C LEU D 18 29.310 19.378 13.825 1.00 0.00 C0 ATOM 1940 O LEU D 18 30.494 19.659 14.019 1.00 0.00 O0 ATOM 1941 CB LEU D 18 27.787 19.824 15.753 1.00 0.00 C0 ATOM 1942 CG LEU D 18 26.794 20.826 16.352 1.00 0.00 C0 ATOM 1943 CD1 LEU D 18 26.222 20.260 17.655 1.00 0.00 C0 ATOM 1944 CD2 LEU D 18 27.507 22.150 16.643 1.00 0.00 C0 ATOM 0 H LEU D 18 26.251 19.769 13.830 1.00 0.00 H new ATOM 0 HA LEU D 18 28.589 21.307 14.407 1.00 0.00 H new ATOM 0 HB2 LEU D 18 27.332 18.835 15.698 1.00 0.00 H new ATOM 0 HB3 LEU D 18 28.663 19.736 16.396 1.00 0.00 H new ATOM 0 HG LEU D 18 25.986 21.000 15.642 1.00 0.00 H new ATOM 0 HD11 LEU D 18 25.516 20.972 18.082 1.00 0.00 H new ATOM 0 HD12 LEU D 18 25.710 19.320 17.450 1.00 0.00 H new ATOM 0 HD13 LEU D 18 27.033 20.085 18.362 1.00 0.00 H new ATOM 0 HD21 LEU D 18 26.797 22.859 17.069 1.00 0.00 H new ATOM 0 HD22 LEU D 18 28.318 21.979 17.351 1.00 0.00 H new ATOM 0 HD23 LEU D 18 27.914 22.555 15.717 1.00 0.00 H new ATOM 1956 N HIS D 19 28.919 18.305 13.128 1.00 0.00 N0 ATOM 1957 CA HIS D 19 29.889 17.382 12.556 1.00 0.00 C0 ATOM 1958 C HIS D 19 30.714 18.063 11.472 1.00 0.00 C0 ATOM 1959 O HIS D 19 31.944 17.980 11.471 1.00 0.00 O0 ATOM 1960 CB HIS D 19 29.160 16.174 11.961 1.00 0.00 C0 ATOM 1961 CG HIS D 19 30.159 15.239 11.336 1.00 0.00 C0 ATOM 1962 ND1 HIS D 19 31.013 14.454 12.096 1.00 0.00 N0 ATOM 1963 CD2 HIS D 19 30.449 14.948 10.026 1.00 0.00 C0 ATOM 1964 CE1 HIS D 19 31.768 13.735 11.245 1.00 0.00 C0 ATOM 1965 NE2 HIS D 19 31.466 14.000 9.971 1.00 0.00 N0 ATOM 0 H HIS D 19 27.945 18.061 12.951 1.00 0.00 H new ATOM 0 HA HIS D 19 30.562 17.055 13.349 1.00 0.00 H new ATOM 0 HB2 HIS D 19 28.599 15.656 12.739 1.00 0.00 H new ATOM 0 HB3 HIS D 19 28.438 16.504 11.214 1.00 0.00 H new ATOM 0 HD2 HIS D 19 29.962 15.388 9.168 1.00 0.00 H new ATOM 0 HE1 HIS D 19 32.525 13.030 11.554 1.00 0.00 H new ATOM 0 HE2 HIS D 19 31.890 13.594 9.137 1.00 0.00 H new ATOM 1973 N PHE D 20 30.034 18.747 10.554 1.00 0.00 N0 ATOM 1974 CA PHE D 20 30.739 19.438 9.485 1.00 0.00 C0 ATOM 1975 C PHE D 20 31.507 20.623 10.048 1.00 0.00 C0 ATOM 1976 O PHE D 20 32.529 21.021 9.503 1.00 0.00 O0 ATOM 1977 CB PHE D 20 29.771 19.902 8.393 1.00 0.00 C0 ATOM 1978 CG PHE D 20 29.988 19.059 7.158 1.00 0.00 C0 ATOM 1979 CD1 PHE D 20 29.151 17.967 6.895 1.00 0.00 C0 ATOM 1980 CD2 PHE D 20 31.034 19.365 6.278 1.00 0.00 C0 ATOM 1981 CE1 PHE D 20 29.360 17.184 5.752 1.00 0.00 C0 ATOM 1982 CE2 PHE D 20 31.244 18.583 5.137 1.00 0.00 C0 ATOM 1983 CZ PHE D 20 30.407 17.493 4.873 1.00 0.00 C0 ATOM 0 H PHE D 20 29.018 18.835 10.530 1.00 0.00 H new ATOM 0 HA PHE D 20 31.443 18.739 9.034 1.00 0.00 H new ATOM 0 HB2 PHE D 20 28.741 19.808 8.737 1.00 0.00 H new ATOM 0 HB3 PHE D 20 29.936 20.955 8.165 1.00 0.00 H new ATOM 0 HD1 PHE D 20 28.345 17.729 7.573 1.00 0.00 H new ATOM 0 HD2 PHE D 20 31.680 20.207 6.481 1.00 0.00 H new ATOM 0 HE1 PHE D 20 28.714 16.342 5.548 1.00 0.00 H new ATOM 0 HE2 PHE D 20 32.052 18.820 4.460 1.00 0.00 H new ATOM 0 HZ PHE D 20 30.568 16.890 3.992 1.00 0.00 H new ATOM 1993 N MET D 21 31.011 21.183 11.144 1.00 0.00 N0 ATOM 1994 CA MET D 21 31.678 22.321 11.766 1.00 0.00 C0 ATOM 1995 C MET D 21 33.082 21.936 12.231 1.00 0.00 C0 ATOM 1996 O MET D 21 34.071 22.587 11.870 1.00 0.00 O0 ATOM 1997 CB MET D 21 30.863 22.814 12.962 1.00 0.00 C0 ATOM 1998 CG MET D 21 30.487 24.281 12.739 1.00 0.00 C0 ATOM 1999 SD MET D 21 29.041 24.376 11.652 1.00 0.00 S0 ATOM 2000 CE MET D 21 28.975 26.180 11.515 1.00 0.00 C0 ATOM 0 H MET D 21 30.161 20.874 11.616 1.00 0.00 H new ATOM 0 HA MET D 21 31.758 23.117 11.026 1.00 0.00 H new ATOM 0 HB2 MET D 21 29.964 22.209 13.080 1.00 0.00 H new ATOM 0 HB3 MET D 21 31.441 22.709 13.880 1.00 0.00 H new ATOM 0 HG2 MET D 21 30.270 24.761 13.693 1.00 0.00 H new ATOM 0 HG3 MET D 21 31.325 24.819 12.295 1.00 0.00 H new ATOM 0 HE1 MET D 21 28.140 26.466 10.876 1.00 0.00 H new ATOM 0 HE2 MET D 21 28.840 26.615 12.505 1.00 0.00 H new ATOM 0 HE3 MET D 21 29.906 26.546 11.081 1.00 0.00 H new ATOM 2010 N ALA D 22 33.168 20.876 13.033 1.00 0.00 N0 ATOM 2011 CA ALA D 22 34.460 20.421 13.531 1.00 0.00 C0 ATOM 2012 C ALA D 22 35.342 19.952 12.381 1.00 0.00 C0 ATOM 2013 O ALA D 22 36.550 20.173 12.385 1.00 0.00 O0 ATOM 2014 CB ALA D 22 34.275 19.285 14.534 1.00 0.00 C0 ATOM 0 H ALA D 22 32.369 20.324 13.347 1.00 0.00 H new ATOM 0 HA ALA D 22 34.946 21.260 14.029 1.00 0.00 H new ATOM 0 HB1 ALA D 22 35.249 18.957 14.896 1.00 0.00 H new ATOM 0 HB2 ALA D 22 33.675 19.635 15.374 1.00 0.00 H new ATOM 0 HB3 ALA D 22 33.768 18.451 14.049 1.00 0.00 H new ATOM 2020 N TRP D 23 34.738 19.294 11.401 1.00 0.00 N0 ATOM 2021 CA TRP D 23 35.497 18.799 10.262 1.00 0.00 C0 ATOM 2022 C TRP D 23 36.119 19.954 9.477 1.00 0.00 C0 ATOM 2023 O TRP D 23 37.311 19.933 9.166 1.00 0.00 O0 ATOM 2024 CB TRP D 23 34.587 17.980 9.353 1.00 0.00 C0 ATOM 2025 CG TRP D 23 35.195 16.634 9.143 1.00 0.00 C0 ATOM 2026 CD1 TRP D 23 34.829 15.498 9.782 1.00 0.00 C0 ATOM 2027 CD2 TRP D 23 36.274 16.267 8.237 1.00 0.00 C0 ATOM 2028 NE1 TRP D 23 35.618 14.456 9.325 1.00 0.00 N0 ATOM 2029 CE2 TRP D 23 36.523 14.881 8.371 1.00 0.00 C0 ATOM 2030 CE3 TRP D 23 37.053 16.998 7.322 1.00 0.00 C0 ATOM 2031 CZ2 TRP D 23 37.511 14.242 7.619 1.00 0.00 C0 ATOM 2032 CZ3 TRP D 23 38.047 16.359 6.565 1.00 0.00 C0 ATOM 2033 CH2 TRP D 23 38.277 14.983 6.714 1.00 0.00 C0 ATOM 0 H TRP D 23 33.739 19.093 11.371 1.00 0.00 H new ATOM 0 HA TRP D 23 36.303 18.166 10.633 1.00 0.00 H new ATOM 0 HB2 TRP D 23 33.598 17.881 9.801 1.00 0.00 H new ATOM 0 HB3 TRP D 23 34.455 18.487 8.397 1.00 0.00 H new ATOM 0 HD1 TRP D 23 34.050 15.418 10.526 1.00 0.00 H new ATOM 0 HE1 TRP D 23 35.541 13.493 9.652 1.00 0.00 H new ATOM 0 HE3 TRP D 23 36.885 18.058 7.201 1.00 0.00 H new ATOM 0 HZ2 TRP D 23 37.682 13.182 7.736 1.00 0.00 H new ATOM 0 HZ3 TRP D 23 38.638 16.930 5.864 1.00 0.00 H new ATOM 0 HH2 TRP D 23 39.045 14.497 6.130 1.00 0.00 H new ATOM 2044 N THR D 24 35.306 20.956 9.152 1.00 0.00 N0 ATOM 2045 CA THR D 24 35.790 22.108 8.396 1.00 0.00 C0 ATOM 2046 C THR D 24 36.991 22.738 9.091 1.00 0.00 C0 ATOM 2047 O THR D 24 38.026 22.967 8.464 1.00 0.00 O0 ATOM 2048 CB THR D 24 34.680 23.155 8.261 1.00 0.00 C0 ATOM 2049 OG1 THR D 24 33.938 23.217 9.468 1.00 0.00 O0 ATOM 2050 CG2 THR D 24 33.748 22.787 7.107 1.00 0.00 C0 ATOM 0 H THR D 24 34.317 20.994 9.398 1.00 0.00 H new ATOM 0 HA THR D 24 36.089 21.764 7.406 1.00 0.00 H new ATOM 0 HB THR D 24 35.131 24.126 8.058 1.00 0.00 H new ATOM 0 HG1 THR D 24 33.134 22.663 9.386 1.00 0.00 H new ATOM 0 HG21 THR D 24 32.963 23.538 7.020 1.00 0.00 H new ATOM 0 HG22 THR D 24 34.317 22.748 6.178 1.00 0.00 H new ATOM 0 HG23 THR D 24 33.299 21.813 7.299 1.00 0.00 H new ATOM 2058 N ILE D 25 36.859 23.014 10.385 1.00 0.00 N0 ATOM 2059 CA ILE D 25 37.968 23.614 11.116 1.00 0.00 C0 ATOM 2060 C ILE D 25 39.145 22.644 11.186 1.00 0.00 C0 ATOM 2061 O ILE D 25 40.307 23.052 11.156 1.00 0.00 O0 ATOM 2062 CB ILE D 25 37.525 24.028 12.522 1.00 0.00 C0 ATOM 2063 CG1 ILE D 25 38.715 24.657 13.264 1.00 0.00 C0 ATOM 2064 CG2 ILE D 25 37.022 22.810 13.293 1.00 0.00 C0 ATOM 2065 CD1 ILE D 25 38.238 25.438 14.505 1.00 0.00 C0 ATOM 0 H ILE D 25 36.019 22.838 10.936 1.00 0.00 H new ATOM 0 HA ILE D 25 38.290 24.509 10.583 1.00 0.00 H new ATOM 0 HB ILE D 25 36.716 24.754 12.445 1.00 0.00 H new ATOM 0 HG12 ILE D 25 39.414 23.877 13.566 1.00 0.00 H new ATOM 0 HG13 ILE D 25 39.255 25.326 12.593 1.00 0.00 H new ATOM 0 HG21 ILE D 25 36.709 23.115 14.292 1.00 0.00 H new ATOM 0 HG22 ILE D 25 36.175 22.370 12.766 1.00 0.00 H new ATOM 0 HG23 ILE D 25 37.822 22.074 13.372 1.00 0.00 H new ATOM 0 HD11 ILE D 25 39.098 25.874 15.013 1.00 0.00 H new ATOM 0 HD12 ILE D 25 37.558 26.232 14.196 1.00 0.00 H new ATOM 0 HD13 ILE D 25 37.720 24.761 15.184 1.00 0.00 H new ATOM 2077 N GLY D 26 38.837 21.355 11.267 1.00 0.00 N0 ATOM 2078 CA GLY D 26 39.877 20.337 11.330 1.00 0.00 C0 ATOM 2079 C GLY D 26 40.767 20.400 10.093 1.00 0.00 C0 ATOM 2080 O GLY D 26 41.991 20.442 10.198 1.00 0.00 O0 ATOM 0 H GLY D 26 37.884 20.993 11.290 1.00 0.00 H new ATOM 0 HA2 GLY D 26 40.480 20.481 12.226 1.00 0.00 H new ATOM 0 HA3 GLY D 26 39.422 19.349 11.407 1.00 0.00 H new ATOM 2084 N HIS D 27 40.139 20.413 8.920 1.00 0.00 N0 ATOM 2085 CA HIS D 27 40.880 20.477 7.664 1.00 0.00 C0 ATOM 2086 C HIS D 27 41.617 21.807 7.545 1.00 0.00 C0 ATOM 2087 O HIS D 27 42.719 21.870 6.998 1.00 0.00 O0 ATOM 2088 CB HIS D 27 39.936 20.305 6.472 1.00 0.00 C0 ATOM 2089 CG HIS D 27 40.752 20.116 5.220 1.00 0.00 C0 ATOM 2090 ND1 HIS D 27 41.310 21.183 4.532 1.00 0.00 N0 ATOM 2091 CD2 HIS D 27 41.117 18.989 4.524 1.00 0.00 C0 ATOM 2092 CE1 HIS D 27 41.976 20.681 3.475 1.00 0.00 C0 ATOM 2093 NE2 HIS D 27 41.891 19.349 3.424 1.00 0.00 N0 ATOM 0 H HIS D 27 39.125 20.380 8.813 1.00 0.00 H new ATOM 0 HA HIS D 27 41.607 19.665 7.660 1.00 0.00 H new ATOM 0 HB2 HIS D 27 39.284 19.446 6.629 1.00 0.00 H new ATOM 0 HB3 HIS D 27 39.292 21.179 6.373 1.00 0.00 H new ATOM 0 HD2 HIS D 27 40.845 17.978 4.790 1.00 0.00 H new ATOM 0 HE1 HIS D 27 42.513 21.282 2.756 1.00 0.00 H new ATOM 0 HE2 HIS D 27 42.305 18.728 2.728 1.00 0.00 H new ATOM 2101 N LEU D 28 41.004 22.868 8.064 1.00 0.00 N0 ATOM 2102 CA LEU D 28 41.614 24.195 8.015 1.00 0.00 C0 ATOM 2103 C LEU D 28 42.941 24.210 8.770 1.00 0.00 C0 ATOM 2104 O LEU D 28 43.873 24.910 8.380 1.00 0.00 O0 ATOM 2105 CB LEU D 28 40.669 25.230 8.631 1.00 0.00 C0 ATOM 2106 CG LEU D 28 40.092 26.123 7.530 1.00 0.00 C0 ATOM 2107 CD1 LEU D 28 38.910 25.418 6.861 1.00 0.00 C0 ATOM 2108 CD2 LEU D 28 39.615 27.441 8.145 1.00 0.00 C0 ATOM 0 H LEU D 28 40.092 22.836 8.520 1.00 0.00 H new ATOM 0 HA LEU D 28 41.800 24.444 6.970 1.00 0.00 H new ATOM 0 HB2 LEU D 28 39.862 24.728 9.165 1.00 0.00 H new ATOM 0 HB3 LEU D 28 41.205 25.837 9.361 1.00 0.00 H new ATOM 0 HG LEU D 28 40.862 26.322 6.785 1.00 0.00 H new ATOM 0 HD11 LEU D 28 38.502 26.056 6.078 1.00 0.00 H new ATOM 0 HD12 LEU D 28 39.247 24.478 6.424 1.00 0.00 H new ATOM 0 HD13 LEU D 28 38.138 25.217 7.604 1.00 0.00 H new ATOM 0 HD21 LEU D 28 39.203 28.079 7.363 1.00 0.00 H new ATOM 0 HD22 LEU D 28 38.846 27.238 8.890 1.00 0.00 H new ATOM 0 HD23 LEU D 28 40.456 27.946 8.621 1.00 0.00 H new