USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 788 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 11 MET CE :methyl 151:sc=-0.00586 (180deg=-0.152) USER MOD Set 1.2: A 12 LYS NZ :NH3+ 150:sc=-0.000171 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.142 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0.614 K(o=0.61,f=-2.1!) USER MOD Single : A 4 HIS : no HD1:sc= -0.509 K(o=-0.51,f=-1.5) USER MOD Single : A 5 HIS : no HD1:sc= -0.0301 X(o=-0.03,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.13) USER MOD Single : A 7 HIS : no HE2:sc= 0.33 K(o=0.33,f=-1.9!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0719 USER MOD Single : A 10 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 14 SER OG : rot 180:sc= -1 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0789 K(o=-0.079,f=-2.3!) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0215 USER MOD Single : A 29 SER OG : rot -76:sc= 0.963 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.122 K(o=0.12,f=-6.6!) USER MOD Single : A 41 LYS NZ :NH3+ 172:sc= -0.0209 (180deg=-0.135) USER MOD Single : A 47 THR OG1 : rot 120:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -20:sc= -0.635 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.49) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00222 USER MOD Single : A 73 ASN : amide:sc= -1.61 K(o=-1.6,f=0) USER MOD Single : A 76 THR OG1 : rot 88:sc= 0.913 USER MOD Single : A 78 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.1) USER MOD Single : A 79 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.66) USER MOD Single : A 87 ASN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 93 TYR OH : rot 4:sc= 0.484 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.930 27.185 1.000 1.00 0.00 N ATOM 2 CA MET A 1 -10.939 28.574 1.530 1.00 0.00 C ATOM 3 C MET A 1 -10.122 28.649 2.831 1.00 0.00 C ATOM 4 O MET A 1 -9.670 27.616 3.347 1.00 0.00 O ATOM 5 CB MET A 1 -12.405 29.051 1.774 1.00 0.00 C ATOM 6 CG MET A 1 -13.156 28.327 2.911 1.00 0.00 C ATOM 7 SD MET A 1 -14.878 28.848 3.060 1.00 0.00 S ATOM 8 CE MET A 1 -15.404 27.926 4.509 1.00 0.00 C ATOM 0 H1 MET A 1 -10.374 27.152 0.122 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.504 26.548 1.703 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.905 26.882 0.804 1.00 0.00 H new ATOM 0 HA MET A 1 -10.481 29.235 0.794 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.390 30.119 1.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.969 28.924 0.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.121 27.252 2.735 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.643 28.513 3.854 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.450 28.148 4.722 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.291 26.858 4.322 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.791 28.211 5.364 1.00 0.00 H new ATOM 20 N GLY A 2 -9.938 29.878 3.356 1.00 0.00 N ATOM 21 CA GLY A 2 -9.324 30.090 4.670 1.00 0.00 C ATOM 22 C GLY A 2 -10.188 29.491 5.778 1.00 0.00 C ATOM 23 O GLY A 2 -11.218 30.075 6.144 1.00 0.00 O ATOM 0 H GLY A 2 -10.210 30.739 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.333 29.636 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.189 31.157 4.845 1.00 0.00 H new ATOM 27 N HIS A 3 -9.795 28.290 6.253 1.00 0.00 N ATOM 28 CA HIS A 3 -10.562 27.509 7.244 1.00 0.00 C ATOM 29 C HIS A 3 -10.657 28.276 8.569 1.00 0.00 C ATOM 30 O HIS A 3 -11.731 28.754 8.912 1.00 0.00 O ATOM 31 CB HIS A 3 -9.905 26.116 7.444 1.00 0.00 C ATOM 32 CG HIS A 3 -10.636 25.199 8.390 1.00 0.00 C ATOM 33 ND1 HIS A 3 -11.684 24.406 7.987 1.00 0.00 N ATOM 34 CD2 HIS A 3 -10.469 24.947 9.712 1.00 0.00 C ATOM 35 CE1 HIS A 3 -12.135 23.716 9.007 1.00 0.00 C ATOM 36 NE2 HIS A 3 -11.418 24.022 10.061 1.00 0.00 N ATOM 0 H HIS A 3 -8.932 27.834 5.958 1.00 0.00 H new ATOM 0 HA HIS A 3 -11.576 27.357 6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.826 25.625 6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.889 26.259 7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.731 25.390 10.364 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.957 23.015 8.983 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -11.546 23.632 10.995 1.00 0.00 H new ATOM 45 N HIS A 4 -9.490 28.430 9.241 1.00 0.00 N ATOM 46 CA HIS A 4 -9.290 29.066 10.579 1.00 0.00 C ATOM 47 C HIS A 4 -10.293 28.582 11.681 1.00 0.00 C ATOM 48 O HIS A 4 -9.869 27.969 12.659 1.00 0.00 O ATOM 49 CB HIS A 4 -9.162 30.630 10.511 1.00 0.00 C ATOM 50 CG HIS A 4 -10.410 31.392 10.155 1.00 0.00 C ATOM 51 ND1 HIS A 4 -11.340 31.784 11.091 1.00 0.00 N ATOM 52 CD2 HIS A 4 -10.883 31.828 8.960 1.00 0.00 C ATOM 53 CE1 HIS A 4 -12.329 32.415 10.492 1.00 0.00 C ATOM 54 NE2 HIS A 4 -12.075 32.453 9.202 1.00 0.00 N ATOM 0 H HIS A 4 -8.610 28.097 8.847 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.318 28.699 10.909 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -8.810 30.986 11.479 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -8.391 30.878 9.781 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -10.407 31.705 7.998 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.200 32.830 10.977 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -12.672 32.881 8.494 1.00 0.00 H new ATOM 63 N HIS A 5 -11.606 28.873 11.526 1.00 0.00 N ATOM 64 CA HIS A 5 -12.669 28.407 12.438 1.00 0.00 C ATOM 65 C HIS A 5 -12.625 26.865 12.588 1.00 0.00 C ATOM 66 O HIS A 5 -12.788 26.137 11.600 1.00 0.00 O ATOM 67 CB HIS A 5 -14.057 28.873 11.922 1.00 0.00 C ATOM 68 CG HIS A 5 -15.230 28.507 12.811 1.00 0.00 C ATOM 69 ND1 HIS A 5 -15.835 29.404 13.664 1.00 0.00 N ATOM 70 CD2 HIS A 5 -15.915 27.338 12.960 1.00 0.00 C ATOM 71 CE1 HIS A 5 -16.833 28.808 14.296 1.00 0.00 C ATOM 72 NE2 HIS A 5 -16.897 27.559 13.889 1.00 0.00 N ATOM 0 H HIS A 5 -11.957 29.443 10.756 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.501 28.844 13.422 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -14.037 29.956 11.800 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.223 28.444 10.934 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -15.720 26.411 12.442 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -17.485 29.269 15.023 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -17.571 26.865 14.214 1.00 0.00 H new ATOM 81 N HIS A 6 -12.396 26.420 13.836 1.00 0.00 N ATOM 82 CA HIS A 6 -12.252 25.003 14.215 1.00 0.00 C ATOM 83 C HIS A 6 -10.994 24.399 13.566 1.00 0.00 C ATOM 84 O HIS A 6 -11.046 23.363 12.880 1.00 0.00 O ATOM 85 CB HIS A 6 -13.548 24.185 13.900 1.00 0.00 C ATOM 86 CG HIS A 6 -13.513 22.768 14.409 1.00 0.00 C ATOM 87 ND1 HIS A 6 -13.506 21.668 13.582 1.00 0.00 N ATOM 88 CD2 HIS A 6 -13.445 22.281 15.668 1.00 0.00 C ATOM 89 CE1 HIS A 6 -13.437 20.575 14.308 1.00 0.00 C ATOM 90 NE2 HIS A 6 -13.395 20.917 15.574 1.00 0.00 N ATOM 0 H HIS A 6 -12.303 27.053 14.630 1.00 0.00 H new ATOM 0 HA HIS A 6 -12.119 24.946 15.295 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -14.405 24.697 14.338 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -13.703 24.170 12.821 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.432 22.861 16.579 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -13.418 19.565 13.927 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -13.335 20.271 16.361 1.00 0.00 H new ATOM 99 N HIS A 7 -9.845 25.061 13.787 1.00 0.00 N ATOM 100 CA HIS A 7 -8.553 24.585 13.275 1.00 0.00 C ATOM 101 C HIS A 7 -8.003 23.454 14.174 1.00 0.00 C ATOM 102 O HIS A 7 -7.133 23.657 15.015 1.00 0.00 O ATOM 103 CB HIS A 7 -7.542 25.753 13.064 1.00 0.00 C ATOM 104 CG HIS A 7 -7.155 26.564 14.276 1.00 0.00 C ATOM 105 ND1 HIS A 7 -7.884 27.639 14.732 1.00 0.00 N ATOM 106 CD2 HIS A 7 -6.086 26.469 15.110 1.00 0.00 C ATOM 107 CE1 HIS A 7 -7.290 28.158 15.784 1.00 0.00 C ATOM 108 NE2 HIS A 7 -6.200 27.470 16.034 1.00 0.00 N ATOM 0 H HIS A 7 -9.787 25.930 14.319 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.709 24.159 12.284 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -6.632 25.337 12.633 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.963 26.433 12.324 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -8.751 27.980 14.318 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.293 25.738 15.053 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.641 29.009 16.349 1.00 0.00 H new ATOM 117 N HIS A 8 -8.574 22.249 14.006 1.00 0.00 N ATOM 118 CA HIS A 8 -8.082 21.028 14.673 1.00 0.00 C ATOM 119 C HIS A 8 -6.716 20.630 14.091 1.00 0.00 C ATOM 120 O HIS A 8 -5.948 19.897 14.708 1.00 0.00 O ATOM 121 CB HIS A 8 -9.098 19.867 14.534 1.00 0.00 C ATOM 122 CG HIS A 8 -9.267 19.317 13.141 1.00 0.00 C ATOM 123 ND1 HIS A 8 -8.476 18.309 12.631 1.00 0.00 N ATOM 124 CD2 HIS A 8 -10.132 19.638 12.151 1.00 0.00 C ATOM 125 CE1 HIS A 8 -8.848 18.040 11.397 1.00 0.00 C ATOM 126 NE2 HIS A 8 -9.845 18.831 11.081 1.00 0.00 N ATOM 0 H HIS A 8 -9.385 22.093 13.408 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.966 21.237 15.736 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.788 19.055 15.191 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.069 20.212 14.890 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -10.905 20.391 12.196 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -8.406 17.294 10.753 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -10.329 18.844 10.183 1.00 0.00 H new ATOM 135 N SER A 9 -6.473 21.117 12.863 1.00 0.00 N ATOM 136 CA SER A 9 -5.202 20.993 12.159 1.00 0.00 C ATOM 137 C SER A 9 -4.126 21.879 12.809 1.00 0.00 C ATOM 138 O SER A 9 -4.386 23.037 13.164 1.00 0.00 O ATOM 139 CB SER A 9 -5.391 21.401 10.685 1.00 0.00 C ATOM 140 OG SER A 9 -4.160 21.406 9.969 1.00 0.00 O ATOM 0 H SER A 9 -7.179 21.620 12.325 1.00 0.00 H new ATOM 0 HA SER A 9 -4.872 19.956 12.216 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.086 20.712 10.205 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.841 22.393 10.639 1.00 0.00 H new ATOM 0 HG SER A 9 -4.324 21.668 9.039 1.00 0.00 H new ATOM 146 N HIS A 10 -2.933 21.308 12.952 1.00 0.00 N ATOM 147 CA HIS A 10 -1.709 22.004 13.377 1.00 0.00 C ATOM 148 C HIS A 10 -0.614 21.752 12.305 1.00 0.00 C ATOM 149 O HIS A 10 0.591 21.741 12.592 1.00 0.00 O ATOM 150 CB HIS A 10 -1.312 21.513 14.801 1.00 0.00 C ATOM 151 CG HIS A 10 -0.099 22.165 15.426 1.00 0.00 C ATOM 152 ND1 HIS A 10 0.989 21.445 15.860 1.00 0.00 N ATOM 153 CD2 HIS A 10 0.177 23.461 15.725 1.00 0.00 C ATOM 154 CE1 HIS A 10 1.877 22.254 16.393 1.00 0.00 C ATOM 155 NE2 HIS A 10 1.412 23.483 16.326 1.00 0.00 N ATOM 0 H HIS A 10 -2.780 20.316 12.771 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.854 23.082 13.451 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.163 21.668 15.465 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.136 20.438 14.754 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.456 24.314 15.527 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.827 21.960 16.814 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.891 24.317 16.665 1.00 0.00 H new ATOM 164 N MET A 11 -1.095 21.559 11.050 1.00 0.00 N ATOM 165 CA MET A 11 -0.288 21.450 9.810 1.00 0.00 C ATOM 166 C MET A 11 0.411 20.079 9.663 1.00 0.00 C ATOM 167 O MET A 11 0.323 19.456 8.593 1.00 0.00 O ATOM 168 CB MET A 11 0.695 22.647 9.665 1.00 0.00 C ATOM 169 CG MET A 11 1.602 22.625 8.431 1.00 0.00 C ATOM 170 SD MET A 11 2.294 24.247 8.037 1.00 0.00 S ATOM 171 CE MET A 11 2.932 24.803 9.623 1.00 0.00 C ATOM 0 H MET A 11 -2.095 21.472 10.869 1.00 0.00 H new ATOM 0 HA MET A 11 -0.985 21.507 8.974 1.00 0.00 H new ATOM 0 HB2 MET A 11 0.114 23.569 9.648 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.325 22.684 10.554 1.00 0.00 H new ATOM 0 HG2 MET A 11 2.416 21.919 8.597 1.00 0.00 H new ATOM 0 HG3 MET A 11 1.034 22.261 7.575 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.781 25.468 9.461 1.00 0.00 H new ATOM 0 HE2 MET A 11 2.150 25.338 10.162 1.00 0.00 H new ATOM 0 HE3 MET A 11 3.253 23.941 10.209 1.00 0.00 H new ATOM 181 N LYS A 12 1.097 19.610 10.712 1.00 0.00 N ATOM 182 CA LYS A 12 1.681 18.258 10.742 1.00 0.00 C ATOM 183 C LYS A 12 0.542 17.236 10.932 1.00 0.00 C ATOM 184 O LYS A 12 0.214 16.854 12.058 1.00 0.00 O ATOM 185 CB LYS A 12 2.758 18.109 11.860 1.00 0.00 C ATOM 186 CG LYS A 12 4.073 18.904 11.657 1.00 0.00 C ATOM 187 CD LYS A 12 3.934 20.427 11.879 1.00 0.00 C ATOM 188 CE LYS A 12 5.293 21.151 11.823 1.00 0.00 C ATOM 189 NZ LYS A 12 5.163 22.621 12.043 1.00 0.00 N ATOM 0 H LYS A 12 1.264 20.151 11.561 1.00 0.00 H new ATOM 0 HA LYS A 12 2.193 18.074 9.798 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.314 18.418 12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.008 17.052 11.955 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.828 18.516 12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.438 18.728 10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.271 20.844 11.121 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.467 20.610 12.847 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.957 20.731 12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.758 20.971 10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.029 22.983 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.021 23.098 11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.348 22.809 12.661 1.00 0.00 H new ATOM 203 N ARG A 13 -0.101 16.857 9.815 1.00 0.00 N ATOM 204 CA ARG A 13 -1.251 15.947 9.816 1.00 0.00 C ATOM 205 C ARG A 13 -0.764 14.494 9.887 1.00 0.00 C ATOM 206 O ARG A 13 -0.644 13.802 8.861 1.00 0.00 O ATOM 207 CB ARG A 13 -2.139 16.222 8.574 1.00 0.00 C ATOM 208 CG ARG A 13 -3.458 15.422 8.512 1.00 0.00 C ATOM 209 CD ARG A 13 -4.394 15.887 7.381 1.00 0.00 C ATOM 210 NE ARG A 13 -3.739 15.882 6.058 1.00 0.00 N ATOM 211 CZ ARG A 13 -3.515 16.961 5.293 1.00 0.00 C ATOM 212 NH1 ARG A 13 -3.883 18.178 5.685 1.00 0.00 N ATOM 213 NH2 ARG A 13 -2.926 16.807 4.121 1.00 0.00 N ATOM 0 H ARG A 13 0.166 17.176 8.884 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.869 16.121 10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.377 17.285 8.547 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.559 16.003 7.678 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.229 14.365 8.375 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.977 15.514 9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.269 15.238 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.750 16.893 7.601 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.430 14.981 5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.346 18.306 6.585 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.702 18.983 5.086 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.648 15.877 3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.749 17.618 3.529 1.00 0.00 H new ATOM 227 N SER A 14 -0.430 14.091 11.129 1.00 0.00 N ATOM 228 CA SER A 14 0.046 12.751 11.488 1.00 0.00 C ATOM 229 C SER A 14 1.426 12.456 10.840 1.00 0.00 C ATOM 230 O SER A 14 2.472 12.621 11.479 1.00 0.00 O ATOM 231 CB SER A 14 -1.023 11.679 11.155 1.00 0.00 C ATOM 232 OG SER A 14 -0.712 10.442 11.764 1.00 0.00 O ATOM 0 H SER A 14 -0.488 14.715 11.934 1.00 0.00 H new ATOM 0 HA SER A 14 0.200 12.712 12.566 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.001 12.019 11.495 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.088 11.550 10.075 1.00 0.00 H new ATOM 0 HG SER A 14 -1.403 9.784 11.540 1.00 0.00 H new ATOM 238 N GLY A 15 1.414 12.053 9.558 1.00 0.00 N ATOM 239 CA GLY A 15 2.640 11.841 8.777 1.00 0.00 C ATOM 240 C GLY A 15 2.673 12.754 7.559 1.00 0.00 C ATOM 241 O GLY A 15 2.069 13.830 7.576 1.00 0.00 O ATOM 0 H GLY A 15 0.557 11.866 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.512 12.031 9.403 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.697 10.800 8.458 1.00 0.00 H new ATOM 245 N ARG A 16 3.357 12.319 6.489 1.00 0.00 N ATOM 246 CA ARG A 16 3.387 13.052 5.208 1.00 0.00 C ATOM 247 C ARG A 16 2.337 12.440 4.267 1.00 0.00 C ATOM 248 O ARG A 16 2.474 11.290 3.866 1.00 0.00 O ATOM 249 CB ARG A 16 4.807 12.980 4.579 1.00 0.00 C ATOM 250 CG ARG A 16 5.923 13.598 5.438 1.00 0.00 C ATOM 251 CD ARG A 16 7.313 13.519 4.770 1.00 0.00 C ATOM 252 NE ARG A 16 7.777 12.126 4.590 1.00 0.00 N ATOM 253 CZ ARG A 16 8.470 11.650 3.535 1.00 0.00 C ATOM 254 NH1 ARG A 16 8.785 12.437 2.508 1.00 0.00 N ATOM 255 NH2 ARG A 16 8.847 10.380 3.531 1.00 0.00 N ATOM 0 H ARG A 16 3.902 11.457 6.484 1.00 0.00 H new ATOM 0 HA ARG A 16 3.153 14.103 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.052 11.935 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.788 13.486 3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.682 14.642 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.959 13.087 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.275 14.014 3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.036 14.064 5.377 1.00 0.00 H new ATOM 0 HE ARG A 16 7.552 11.464 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.502 13.417 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.310 12.060 1.719 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.613 9.776 4.319 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.372 10.006 2.740 1.00 0.00 H new ATOM 269 N GLU A 17 1.289 13.203 3.921 1.00 0.00 N ATOM 270 CA GLU A 17 0.183 12.683 3.099 1.00 0.00 C ATOM 271 C GLU A 17 0.596 12.652 1.619 1.00 0.00 C ATOM 272 O GLU A 17 1.077 13.648 1.082 1.00 0.00 O ATOM 273 CB GLU A 17 -1.096 13.534 3.259 1.00 0.00 C ATOM 274 CG GLU A 17 -2.319 12.998 2.483 1.00 0.00 C ATOM 275 CD GLU A 17 -3.499 13.969 2.524 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.067 14.170 3.607 1.00 0.00 O ATOM 277 OE2 GLU A 17 -3.863 14.543 1.473 1.00 0.00 O ATOM 0 H GLU A 17 1.183 14.179 4.196 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.036 11.672 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.349 13.592 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.886 14.550 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.037 12.814 1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.624 12.040 2.905 1.00 0.00 H new ATOM 284 N ILE A 18 0.387 11.503 0.985 1.00 0.00 N ATOM 285 CA ILE A 18 0.684 11.259 -0.432 1.00 0.00 C ATOM 286 C ILE A 18 -0.596 10.767 -1.133 1.00 0.00 C ATOM 287 O ILE A 18 -1.657 10.635 -0.503 1.00 0.00 O ATOM 288 CB ILE A 18 1.819 10.175 -0.581 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.363 8.811 0.051 1.00 0.00 C ATOM 290 CG2 ILE A 18 3.147 10.673 0.053 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.296 7.645 -0.196 1.00 0.00 C ATOM 0 H ILE A 18 -0.006 10.687 1.453 1.00 0.00 H new ATOM 0 HA ILE A 18 1.030 12.186 -0.890 1.00 0.00 H new ATOM 0 HB ILE A 18 2.001 10.011 -1.643 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.252 8.946 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.378 8.558 -0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.915 9.908 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.468 11.587 -0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.991 10.874 1.113 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.894 6.750 0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.390 7.475 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.277 7.869 0.223 1.00 0.00 H new ATOM 303 N THR A 19 -0.485 10.505 -2.443 1.00 0.00 N ATOM 304 CA THR A 19 -1.549 9.879 -3.242 1.00 0.00 C ATOM 305 C THR A 19 -1.170 8.423 -3.559 1.00 0.00 C ATOM 306 O THR A 19 -0.032 8.005 -3.304 1.00 0.00 O ATOM 307 CB THR A 19 -1.776 10.669 -4.567 1.00 0.00 C ATOM 308 OG1 THR A 19 -0.549 10.712 -5.316 1.00 0.00 O ATOM 309 CG2 THR A 19 -2.273 12.100 -4.303 1.00 0.00 C ATOM 0 H THR A 19 0.353 10.723 -2.983 1.00 0.00 H new ATOM 0 HA THR A 19 -2.475 9.895 -2.667 1.00 0.00 H new ATOM 0 HB THR A 19 -2.547 10.151 -5.138 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.692 11.207 -6.150 1.00 0.00 H new ATOM 0 HG21 THR A 19 -2.418 12.616 -5.252 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.218 12.063 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 19 -1.535 12.637 -3.708 1.00 0.00 H new ATOM 317 N TRP A 20 -2.143 7.667 -4.107 1.00 0.00 N ATOM 318 CA TRP A 20 -1.939 6.274 -4.556 1.00 0.00 C ATOM 319 C TRP A 20 -0.843 6.193 -5.651 1.00 0.00 C ATOM 320 O TRP A 20 -0.034 5.271 -5.636 1.00 0.00 O ATOM 321 CB TRP A 20 -3.279 5.657 -5.058 1.00 0.00 C ATOM 322 CG TRP A 20 -3.176 4.219 -5.532 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.046 3.789 -6.820 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.204 3.032 -4.724 1.00 0.00 C ATOM 325 NE1 TRP A 20 -2.976 2.423 -6.858 1.00 0.00 N ATOM 326 CE2 TRP A 20 -3.081 1.935 -5.587 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.329 2.795 -3.357 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -3.064 0.622 -5.125 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.315 1.494 -2.898 1.00 0.00 C ATOM 330 CH2 TRP A 20 -3.193 0.420 -3.781 1.00 0.00 C ATOM 0 H TRP A 20 -3.094 8.006 -4.251 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.595 5.691 -3.702 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.011 5.708 -4.252 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.661 6.268 -5.875 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.004 4.434 -7.685 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.863 1.860 -7.701 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.435 3.618 -2.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.953 -0.208 -5.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.400 1.304 -1.838 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.201 -0.588 -3.394 1.00 0.00 H new ATOM 341 N LYS A 21 -0.827 7.172 -6.584 1.00 0.00 N ATOM 342 CA LYS A 21 0.194 7.264 -7.664 1.00 0.00 C ATOM 343 C LYS A 21 1.634 7.291 -7.106 1.00 0.00 C ATOM 344 O LYS A 21 2.482 6.475 -7.507 1.00 0.00 O ATOM 345 CB LYS A 21 -0.072 8.517 -8.552 1.00 0.00 C ATOM 346 CG LYS A 21 0.832 8.623 -9.801 1.00 0.00 C ATOM 347 CD LYS A 21 0.478 9.839 -10.692 1.00 0.00 C ATOM 348 CE LYS A 21 1.315 9.915 -11.982 1.00 0.00 C ATOM 349 NZ LYS A 21 2.763 10.114 -11.714 1.00 0.00 N ATOM 0 H LYS A 21 -1.518 7.921 -6.613 1.00 0.00 H new ATOM 0 HA LYS A 21 0.104 6.366 -8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.113 8.504 -8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.063 9.412 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.873 8.699 -9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.743 7.709 -10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.579 9.792 -10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.623 10.755 -10.119 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.178 8.997 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.948 10.734 -12.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.280 10.158 -12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.900 11.003 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.123 9.320 -11.147 1.00 0.00 H new ATOM 363 N ASP A 22 1.891 8.207 -6.161 1.00 0.00 N ATOM 364 CA ASP A 22 3.217 8.356 -5.526 1.00 0.00 C ATOM 365 C ASP A 22 3.537 7.169 -4.605 1.00 0.00 C ATOM 366 O ASP A 22 4.707 6.801 -4.450 1.00 0.00 O ATOM 367 CB ASP A 22 3.283 9.693 -4.743 1.00 0.00 C ATOM 368 CG ASP A 22 3.318 10.916 -5.675 1.00 0.00 C ATOM 369 OD1 ASP A 22 2.241 11.370 -6.130 1.00 0.00 O ATOM 370 OD2 ASP A 22 4.423 11.416 -5.986 1.00 0.00 O ATOM 0 H ASP A 22 1.192 8.864 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 22 3.971 8.369 -6.313 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.419 9.767 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.170 9.697 -4.109 1.00 0.00 H new ATOM 375 N PHE A 23 2.489 6.605 -3.986 1.00 0.00 N ATOM 376 CA PHE A 23 2.580 5.373 -3.191 1.00 0.00 C ATOM 377 C PHE A 23 3.177 4.209 -4.010 1.00 0.00 C ATOM 378 O PHE A 23 4.177 3.617 -3.602 1.00 0.00 O ATOM 379 CB PHE A 23 1.190 4.989 -2.610 1.00 0.00 C ATOM 380 CG PHE A 23 1.103 3.579 -2.033 1.00 0.00 C ATOM 381 CD1 PHE A 23 1.984 3.156 -1.041 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.160 2.675 -2.507 1.00 0.00 C ATOM 383 CE1 PHE A 23 1.913 1.879 -0.537 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.091 1.400 -2.004 1.00 0.00 C ATOM 385 CZ PHE A 23 0.967 1.001 -1.019 1.00 0.00 C ATOM 0 H PHE A 23 1.547 6.995 -4.024 1.00 0.00 H new ATOM 0 HA PHE A 23 3.258 5.567 -2.360 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.929 5.703 -1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.443 5.091 -3.397 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.731 3.839 -0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.528 2.980 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.598 1.564 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.650 0.710 -2.380 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.912 -0.002 -0.624 1.00 0.00 H new ATOM 395 N VAL A 24 2.550 3.904 -5.155 1.00 0.00 N ATOM 396 CA VAL A 24 2.946 2.772 -6.001 1.00 0.00 C ATOM 397 C VAL A 24 4.381 2.961 -6.511 1.00 0.00 C ATOM 398 O VAL A 24 5.265 2.170 -6.199 1.00 0.00 O ATOM 399 CB VAL A 24 1.969 2.593 -7.219 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.435 1.452 -8.156 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.523 2.356 -6.733 1.00 0.00 C ATOM 0 H VAL A 24 1.757 4.433 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 24 2.896 1.872 -5.389 1.00 0.00 H new ATOM 0 HB VAL A 24 1.986 3.518 -7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.737 1.356 -8.987 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.429 1.681 -8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.468 0.515 -7.600 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.135 2.235 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.488 1.455 -6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.193 3.210 -6.142 1.00 0.00 H new ATOM 411 N ASN A 25 4.591 4.077 -7.217 1.00 0.00 N ATOM 412 CA ASN A 25 5.811 4.330 -8.001 1.00 0.00 C ATOM 413 C ASN A 25 7.055 4.455 -7.108 1.00 0.00 C ATOM 414 O ASN A 25 8.077 3.808 -7.358 1.00 0.00 O ATOM 415 CB ASN A 25 5.641 5.618 -8.860 1.00 0.00 C ATOM 416 CG ASN A 25 4.539 5.515 -9.929 1.00 0.00 C ATOM 417 OD1 ASN A 25 3.551 4.796 -9.770 1.00 0.00 O ATOM 418 ND2 ASN A 25 4.697 6.246 -11.019 1.00 0.00 N ATOM 0 H ASN A 25 3.914 4.839 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 25 5.960 3.472 -8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.416 6.456 -8.200 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.588 5.844 -9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.991 6.224 -11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.525 6.832 -11.124 1.00 0.00 H new ATOM 425 N ASN A 26 6.957 5.286 -6.067 1.00 0.00 N ATOM 426 CA ASN A 26 8.116 5.677 -5.243 1.00 0.00 C ATOM 427 C ASN A 26 8.375 4.691 -4.092 1.00 0.00 C ATOM 428 O ASN A 26 9.465 4.698 -3.512 1.00 0.00 O ATOM 429 CB ASN A 26 7.897 7.111 -4.681 1.00 0.00 C ATOM 430 CG ASN A 26 7.613 8.156 -5.769 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.128 8.073 -6.885 1.00 0.00 O ATOM 432 ND2 ASN A 26 6.770 9.133 -5.460 1.00 0.00 N ATOM 0 H ASN A 26 6.078 5.708 -5.768 1.00 0.00 H new ATOM 0 HA ASN A 26 8.998 5.659 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.064 7.094 -3.978 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.782 7.412 -4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.533 9.841 -6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.359 9.176 -4.527 1.00 0.00 H new ATOM 439 N TYR A 27 7.385 3.841 -3.742 1.00 0.00 N ATOM 440 CA TYR A 27 7.474 2.982 -2.538 1.00 0.00 C ATOM 441 C TYR A 27 7.182 1.499 -2.845 1.00 0.00 C ATOM 442 O TYR A 27 8.086 0.652 -2.742 1.00 0.00 O ATOM 443 CB TYR A 27 6.520 3.500 -1.424 1.00 0.00 C ATOM 444 CG TYR A 27 6.721 4.971 -1.046 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.935 5.430 -0.533 1.00 0.00 C ATOM 446 CD2 TYR A 27 5.693 5.900 -1.195 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.106 6.757 -0.184 1.00 0.00 C ATOM 448 CE2 TYR A 27 5.863 7.223 -0.853 1.00 0.00 C ATOM 449 CZ TYR A 27 7.066 7.646 -0.344 1.00 0.00 C ATOM 450 OH TYR A 27 7.226 8.964 0.014 1.00 0.00 O ATOM 0 H TYR A 27 6.520 3.731 -4.271 1.00 0.00 H new ATOM 0 HA TYR A 27 8.504 3.040 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.490 3.360 -1.752 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.657 2.887 -0.533 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.754 4.738 -0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.741 5.575 -1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.052 7.095 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.053 7.925 -0.985 1.00 0.00 H new ATOM 0 HH TYR A 27 6.397 9.455 -0.165 1.00 0.00 H new ATOM 460 N LEU A 28 5.911 1.199 -3.197 1.00 0.00 N ATOM 461 CA LEU A 28 5.397 -0.188 -3.310 1.00 0.00 C ATOM 462 C LEU A 28 6.191 -1.013 -4.341 1.00 0.00 C ATOM 463 O LEU A 28 6.674 -2.109 -4.031 1.00 0.00 O ATOM 464 CB LEU A 28 3.871 -0.176 -3.638 1.00 0.00 C ATOM 465 CG LEU A 28 3.168 -1.585 -3.813 1.00 0.00 C ATOM 466 CD1 LEU A 28 1.732 -1.585 -3.260 1.00 0.00 C ATOM 467 CD2 LEU A 28 3.153 -2.045 -5.292 1.00 0.00 C ATOM 0 H LEU A 28 5.212 1.910 -3.411 1.00 0.00 H new ATOM 0 HA LEU A 28 5.536 -0.677 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.357 0.364 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.725 0.393 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 28 3.763 -2.291 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.288 -2.570 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.751 -1.344 -2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.138 -0.840 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.662 -3.015 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.610 -1.316 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.176 -2.127 -5.658 1.00 0.00 H new ATOM 479 N SER A 29 6.315 -0.468 -5.562 1.00 0.00 N ATOM 480 CA SER A 29 7.032 -1.116 -6.674 1.00 0.00 C ATOM 481 C SER A 29 8.549 -1.227 -6.403 1.00 0.00 C ATOM 482 O SER A 29 9.231 -2.094 -6.963 1.00 0.00 O ATOM 483 CB SER A 29 6.764 -0.327 -7.973 1.00 0.00 C ATOM 484 OG SER A 29 7.224 1.013 -7.870 1.00 0.00 O ATOM 0 H SER A 29 5.919 0.439 -5.807 1.00 0.00 H new ATOM 0 HA SER A 29 6.659 -2.135 -6.777 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.260 -0.820 -8.809 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.696 -0.331 -8.189 1.00 0.00 H new ATOM 0 HG SER A 29 6.603 1.530 -7.316 1.00 0.00 H new ATOM 490 N LYS A 30 9.054 -0.358 -5.509 1.00 0.00 N ATOM 491 CA LYS A 30 10.478 -0.313 -5.140 1.00 0.00 C ATOM 492 C LYS A 30 10.786 -1.239 -3.952 1.00 0.00 C ATOM 493 O LYS A 30 11.954 -1.393 -3.593 1.00 0.00 O ATOM 494 CB LYS A 30 10.906 1.138 -4.812 1.00 0.00 C ATOM 495 CG LYS A 30 10.938 2.078 -6.038 1.00 0.00 C ATOM 496 CD LYS A 30 11.593 3.444 -5.727 1.00 0.00 C ATOM 497 CE LYS A 30 13.035 3.313 -5.207 1.00 0.00 C ATOM 498 NZ LYS A 30 13.698 4.636 -5.064 1.00 0.00 N ATOM 0 H LYS A 30 8.484 0.334 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 30 11.051 -0.668 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.221 1.549 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.896 1.119 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.484 1.594 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.920 2.240 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.592 4.055 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.991 3.969 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.028 2.805 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.612 2.690 -5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.667 4.502 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.728 5.111 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.163 5.222 -4.392 1.00 0.00 H new ATOM 512 N GLY A 31 9.739 -1.850 -3.360 1.00 0.00 N ATOM 513 CA GLY A 31 9.904 -2.770 -2.229 1.00 0.00 C ATOM 514 C GLY A 31 10.553 -2.135 -1.002 1.00 0.00 C ATOM 515 O GLY A 31 11.303 -2.795 -0.271 1.00 0.00 O ATOM 0 H GLY A 31 8.770 -1.719 -3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.927 -3.163 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.509 -3.618 -2.549 1.00 0.00 H new ATOM 519 N VAL A 32 10.286 -0.829 -0.791 1.00 0.00 N ATOM 520 CA VAL A 32 10.764 -0.094 0.402 1.00 0.00 C ATOM 521 C VAL A 32 9.621 0.067 1.426 1.00 0.00 C ATOM 522 O VAL A 32 9.746 0.806 2.411 1.00 0.00 O ATOM 523 CB VAL A 32 11.405 1.297 0.019 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.560 1.117 -0.997 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.357 2.302 -0.497 1.00 0.00 C ATOM 0 H VAL A 32 9.739 -0.258 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 32 11.556 -0.683 0.865 1.00 0.00 H new ATOM 0 HB VAL A 32 11.821 1.719 0.934 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.983 2.091 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.333 0.485 -0.560 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.177 0.648 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.847 3.243 -0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.872 1.898 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.609 2.477 0.276 1.00 0.00 H new ATOM 535 N VAL A 33 8.511 -0.669 1.183 1.00 0.00 N ATOM 536 CA VAL A 33 7.358 -0.755 2.096 1.00 0.00 C ATOM 537 C VAL A 33 7.444 -2.052 2.909 1.00 0.00 C ATOM 538 O VAL A 33 7.508 -3.143 2.333 1.00 0.00 O ATOM 539 CB VAL A 33 5.993 -0.733 1.304 1.00 0.00 C ATOM 540 CG1 VAL A 33 4.772 -0.746 2.254 1.00 0.00 C ATOM 541 CG2 VAL A 33 5.931 0.465 0.354 1.00 0.00 C ATOM 0 H VAL A 33 8.394 -1.225 0.336 1.00 0.00 H new ATOM 0 HA VAL A 33 7.387 0.111 2.758 1.00 0.00 H new ATOM 0 HB VAL A 33 5.951 -1.646 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.854 -0.730 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.796 -1.648 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.804 0.131 2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.981 0.457 -0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.018 1.388 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.750 0.404 -0.363 1.00 0.00 H new ATOM 551 N ASP A 34 7.457 -1.921 4.240 1.00 0.00 N ATOM 552 CA ASP A 34 7.464 -3.060 5.174 1.00 0.00 C ATOM 553 C ASP A 34 6.060 -3.659 5.263 1.00 0.00 C ATOM 554 O ASP A 34 5.882 -4.879 5.221 1.00 0.00 O ATOM 555 CB ASP A 34 7.904 -2.582 6.591 1.00 0.00 C ATOM 556 CG ASP A 34 7.992 -3.712 7.645 1.00 0.00 C ATOM 557 OD1 ASP A 34 9.023 -4.419 7.692 1.00 0.00 O ATOM 558 OD2 ASP A 34 7.032 -3.897 8.424 1.00 0.00 O ATOM 0 H ASP A 34 7.463 -1.014 4.707 1.00 0.00 H new ATOM 0 HA ASP A 34 8.164 -3.812 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.877 -2.098 6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.200 -1.828 6.942 1.00 0.00 H new ATOM 563 N ARG A 35 5.083 -2.754 5.403 1.00 0.00 N ATOM 564 CA ARG A 35 3.706 -3.085 5.761 1.00 0.00 C ATOM 565 C ARG A 35 2.778 -1.902 5.413 1.00 0.00 C ATOM 566 O ARG A 35 3.238 -0.781 5.183 1.00 0.00 O ATOM 567 CB ARG A 35 3.685 -3.385 7.289 1.00 0.00 C ATOM 568 CG ARG A 35 2.310 -3.665 7.923 1.00 0.00 C ATOM 569 CD ARG A 35 2.367 -3.638 9.451 1.00 0.00 C ATOM 570 NE ARG A 35 2.818 -2.330 9.952 1.00 0.00 N ATOM 571 CZ ARG A 35 3.695 -2.135 10.940 1.00 0.00 C ATOM 572 NH1 ARG A 35 4.262 -3.167 11.568 1.00 0.00 N ATOM 573 NH2 ARG A 35 3.985 -0.904 11.303 1.00 0.00 N ATOM 0 H ARG A 35 5.234 -1.754 5.267 1.00 0.00 H new ATOM 0 HA ARG A 35 3.350 -3.954 5.207 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.326 -4.246 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.132 -2.537 7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.592 -2.923 7.574 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.949 -4.638 7.591 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.381 -3.864 9.857 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.043 -4.417 9.805 1.00 0.00 H new ATOM 0 HE ARG A 35 2.427 -1.500 9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.027 -4.121 11.295 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.930 -3.001 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.542 -0.115 10.831 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.653 -0.738 12.056 1.00 0.00 H new ATOM 587 N LEU A 36 1.475 -2.176 5.340 1.00 0.00 N ATOM 588 CA LEU A 36 0.413 -1.174 5.227 1.00 0.00 C ATOM 589 C LEU A 36 -0.519 -1.324 6.425 1.00 0.00 C ATOM 590 O LEU A 36 -0.838 -2.442 6.821 1.00 0.00 O ATOM 591 CB LEU A 36 -0.361 -1.371 3.899 1.00 0.00 C ATOM 592 CG LEU A 36 0.458 -1.068 2.617 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.343 -1.409 1.345 1.00 0.00 C ATOM 594 CD2 LEU A 36 0.961 0.393 2.611 1.00 0.00 C ATOM 0 H LEU A 36 1.118 -3.131 5.358 1.00 0.00 H new ATOM 0 HA LEU A 36 0.838 -0.170 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.716 -2.400 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.242 -0.730 3.910 1.00 0.00 H new ATOM 0 HG LEU A 36 1.337 -1.712 2.620 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.259 -1.185 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.599 -2.468 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.257 -0.815 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.532 0.578 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.109 1.071 2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.598 0.562 3.479 1.00 0.00 H new ATOM 606 N GLU A 37 -0.927 -0.199 7.021 1.00 0.00 N ATOM 607 CA GLU A 37 -1.835 -0.184 8.186 1.00 0.00 C ATOM 608 C GLU A 37 -3.104 0.594 7.834 1.00 0.00 C ATOM 609 O GLU A 37 -3.060 1.816 7.694 1.00 0.00 O ATOM 610 CB GLU A 37 -1.117 0.451 9.407 1.00 0.00 C ATOM 611 CG GLU A 37 0.084 -0.359 9.928 1.00 0.00 C ATOM 612 CD GLU A 37 0.852 0.346 11.058 1.00 0.00 C ATOM 613 OE1 GLU A 37 1.788 1.120 10.760 1.00 0.00 O ATOM 614 OE2 GLU A 37 0.528 0.130 12.244 1.00 0.00 O ATOM 0 H GLU A 37 -0.640 0.730 6.714 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.114 -1.205 8.447 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.776 1.450 9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.838 0.571 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.268 -1.326 10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.767 -0.554 9.101 1.00 0.00 H new ATOM 621 N VAL A 38 -4.234 -0.116 7.718 1.00 0.00 N ATOM 622 CA VAL A 38 -5.509 0.489 7.311 1.00 0.00 C ATOM 623 C VAL A 38 -6.230 0.953 8.577 1.00 0.00 C ATOM 624 O VAL A 38 -6.975 0.187 9.201 1.00 0.00 O ATOM 625 CB VAL A 38 -6.404 -0.519 6.502 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.658 0.179 5.934 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.596 -1.214 5.391 1.00 0.00 C ATOM 0 H VAL A 38 -4.291 -1.118 7.902 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.315 1.332 6.647 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.743 -1.291 7.193 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.257 -0.544 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.249 0.588 6.753 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.355 0.986 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.242 -1.905 4.849 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.206 -0.465 4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.767 -1.765 5.835 1.00 0.00 H new ATOM 637 N VAL A 39 -5.989 2.209 8.962 1.00 0.00 N ATOM 638 CA VAL A 39 -6.462 2.749 10.232 1.00 0.00 C ATOM 639 C VAL A 39 -7.876 3.312 10.052 1.00 0.00 C ATOM 640 O VAL A 39 -8.100 4.223 9.235 1.00 0.00 O ATOM 641 CB VAL A 39 -5.476 3.839 10.782 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.948 4.406 12.143 1.00 0.00 C ATOM 643 CG2 VAL A 39 -4.033 3.278 10.871 1.00 0.00 C ATOM 0 H VAL A 39 -5.461 2.877 8.400 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.497 1.948 10.970 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.473 4.670 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.239 5.157 12.490 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.931 4.862 12.026 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.007 3.599 12.873 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.366 4.050 11.255 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.017 2.419 11.541 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.700 2.971 9.880 1.00 0.00 H new ATOM 653 N ASN A 40 -8.810 2.723 10.809 1.00 0.00 N ATOM 654 CA ASN A 40 -10.242 3.060 10.820 1.00 0.00 C ATOM 655 C ASN A 40 -10.925 2.928 9.442 1.00 0.00 C ATOM 656 O ASN A 40 -12.028 3.454 9.258 1.00 0.00 O ATOM 657 CB ASN A 40 -10.471 4.485 11.418 1.00 0.00 C ATOM 658 CG ASN A 40 -10.034 4.620 12.884 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.077 3.985 13.325 1.00 0.00 O ATOM 660 ND2 ASN A 40 -10.741 5.432 13.654 1.00 0.00 N ATOM 0 H ASN A 40 -8.582 1.969 11.457 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.719 2.319 11.462 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.925 5.213 10.818 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.529 4.736 11.339 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.497 5.543 14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.530 5.947 13.263 1.00 0.00 H new ATOM 667 N LYS A 41 -10.277 2.202 8.489 1.00 0.00 N ATOM 668 CA LYS A 41 -10.713 2.108 7.073 1.00 0.00 C ATOM 669 C LYS A 41 -10.716 3.472 6.330 1.00 0.00 C ATOM 670 O LYS A 41 -11.099 3.534 5.154 1.00 0.00 O ATOM 671 CB LYS A 41 -12.109 1.428 6.971 1.00 0.00 C ATOM 672 CG LYS A 41 -12.137 -0.058 7.379 1.00 0.00 C ATOM 673 CD LYS A 41 -13.568 -0.643 7.375 1.00 0.00 C ATOM 674 CE LYS A 41 -13.592 -2.128 7.758 1.00 0.00 C ATOM 675 NZ LYS A 41 -12.974 -2.387 9.088 1.00 0.00 N ATOM 0 H LYS A 41 -9.433 1.664 8.686 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.970 1.489 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.811 1.976 7.600 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.465 1.515 5.945 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.511 -0.632 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.706 -0.167 8.374 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.190 -0.081 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.006 -0.519 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.623 -2.481 7.766 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.064 -2.704 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.136 -3.378 9.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.951 -2.205 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.403 -1.760 9.798 1.00 0.00 H new ATOM 689 N ARG A 42 -10.281 4.545 7.009 1.00 0.00 N ATOM 690 CA ARG A 42 -10.307 5.917 6.472 1.00 0.00 C ATOM 691 C ARG A 42 -9.119 6.130 5.534 1.00 0.00 C ATOM 692 O ARG A 42 -9.252 6.692 4.432 1.00 0.00 O ATOM 693 CB ARG A 42 -10.255 6.929 7.651 1.00 0.00 C ATOM 694 CG ARG A 42 -10.232 8.415 7.237 1.00 0.00 C ATOM 695 CD ARG A 42 -10.138 9.363 8.444 1.00 0.00 C ATOM 696 NE ARG A 42 -10.142 10.774 8.018 1.00 0.00 N ATOM 697 CZ ARG A 42 -10.217 11.830 8.842 1.00 0.00 C ATOM 698 NH1 ARG A 42 -10.296 11.659 10.160 1.00 0.00 N ATOM 699 NH2 ARG A 42 -10.216 13.056 8.352 1.00 0.00 N ATOM 0 H ARG A 42 -9.898 4.486 7.953 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.226 6.073 5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.120 6.760 8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.368 6.721 8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.384 8.591 6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.134 8.644 6.669 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.976 9.182 9.118 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.227 9.153 9.004 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.083 10.963 7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.300 10.718 10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.353 12.469 10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.158 13.202 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.273 13.857 8.981 1.00 0.00 H new ATOM 713 N PHE A 43 -7.972 5.622 5.976 1.00 0.00 N ATOM 714 CA PHE A 43 -6.693 5.812 5.302 1.00 0.00 C ATOM 715 C PHE A 43 -5.788 4.618 5.590 1.00 0.00 C ATOM 716 O PHE A 43 -6.091 3.779 6.454 1.00 0.00 O ATOM 717 CB PHE A 43 -6.017 7.142 5.758 1.00 0.00 C ATOM 718 CG PHE A 43 -5.620 7.190 7.235 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.546 7.554 8.206 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.324 6.865 7.647 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.199 7.591 9.537 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.979 6.899 8.982 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.916 7.265 9.925 1.00 0.00 C ATOM 0 H PHE A 43 -7.905 5.059 6.824 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.863 5.881 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.126 7.306 5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.698 7.968 5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.553 7.812 7.911 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.585 6.584 6.912 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.931 7.875 10.278 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.976 6.639 9.288 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.645 7.297 10.970 1.00 0.00 H new ATOM 733 N VAL A 44 -4.667 4.570 4.875 1.00 0.00 N ATOM 734 CA VAL A 44 -3.651 3.533 5.012 1.00 0.00 C ATOM 735 C VAL A 44 -2.298 4.215 5.182 1.00 0.00 C ATOM 736 O VAL A 44 -1.971 5.138 4.432 1.00 0.00 O ATOM 737 CB VAL A 44 -3.616 2.591 3.755 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.505 1.533 3.869 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.985 1.924 3.535 1.00 0.00 C ATOM 0 H VAL A 44 -4.436 5.268 4.168 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.887 2.914 5.878 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.391 3.210 2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.512 0.901 2.981 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.538 2.029 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.677 0.919 4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.938 1.276 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.246 1.331 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.743 2.692 3.378 1.00 0.00 H new ATOM 749 N ARG A 45 -1.506 3.752 6.158 1.00 0.00 N ATOM 750 CA ARG A 45 -0.161 4.267 6.387 1.00 0.00 C ATOM 751 C ARG A 45 0.850 3.311 5.757 1.00 0.00 C ATOM 752 O ARG A 45 0.778 2.093 5.949 1.00 0.00 O ATOM 753 CB ARG A 45 0.141 4.464 7.895 1.00 0.00 C ATOM 754 CG ARG A 45 1.619 4.846 8.175 1.00 0.00 C ATOM 755 CD ARG A 45 1.867 5.345 9.597 1.00 0.00 C ATOM 756 NE ARG A 45 1.240 6.656 9.841 1.00 0.00 N ATOM 757 CZ ARG A 45 1.686 7.572 10.707 1.00 0.00 C ATOM 758 NH1 ARG A 45 2.772 7.338 11.441 1.00 0.00 N ATOM 759 NH2 ARG A 45 1.054 8.715 10.837 1.00 0.00 N ATOM 0 H ARG A 45 -1.783 3.014 6.805 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.085 5.250 5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.511 5.243 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.098 3.545 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.251 3.977 7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.925 5.619 7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.476 4.618 10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.940 5.418 9.773 1.00 0.00 H new ATOM 0 HE ARG A 45 0.400 6.882 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.271 6.454 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.105 8.043 12.099 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.223 8.905 10.277 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.394 9.414 11.498 1.00 0.00 H new ATOM 773 N VAL A 46 1.779 3.900 5.016 1.00 0.00 N ATOM 774 CA VAL A 46 2.902 3.198 4.421 1.00 0.00 C ATOM 775 C VAL A 46 3.994 3.075 5.485 1.00 0.00 C ATOM 776 O VAL A 46 4.605 4.080 5.883 1.00 0.00 O ATOM 777 CB VAL A 46 3.457 3.971 3.171 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.571 3.178 2.458 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.317 4.352 2.205 1.00 0.00 C ATOM 0 H VAL A 46 1.770 4.899 4.809 1.00 0.00 H new ATOM 0 HA VAL A 46 2.579 2.214 4.081 1.00 0.00 H new ATOM 0 HB VAL A 46 3.908 4.897 3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.929 3.746 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.396 3.008 3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.177 2.220 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.729 4.886 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.814 3.448 1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.601 4.992 2.721 1.00 0.00 H new ATOM 789 N THR A 47 4.205 1.853 5.967 1.00 0.00 N ATOM 790 CA THR A 47 5.311 1.546 6.863 1.00 0.00 C ATOM 791 C THR A 47 6.555 1.337 5.985 1.00 0.00 C ATOM 792 O THR A 47 6.491 0.579 5.025 1.00 0.00 O ATOM 793 CB THR A 47 5.019 0.253 7.701 1.00 0.00 C ATOM 794 OG1 THR A 47 3.705 0.320 8.286 1.00 0.00 O ATOM 795 CG2 THR A 47 6.055 0.039 8.814 1.00 0.00 C ATOM 0 H THR A 47 3.614 1.051 5.747 1.00 0.00 H new ATOM 0 HA THR A 47 5.459 2.361 7.572 1.00 0.00 H new ATOM 0 HB THR A 47 5.079 -0.590 7.013 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.164 -0.430 7.962 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.812 -0.868 9.368 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.047 -0.059 8.374 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.042 0.892 9.492 1.00 0.00 H new ATOM 803 N PHE A 48 7.638 2.060 6.266 1.00 0.00 N ATOM 804 CA PHE A 48 8.913 1.919 5.548 1.00 0.00 C ATOM 805 C PHE A 48 9.726 0.781 6.141 1.00 0.00 C ATOM 806 O PHE A 48 9.845 0.689 7.357 1.00 0.00 O ATOM 807 CB PHE A 48 9.711 3.235 5.640 1.00 0.00 C ATOM 808 CG PHE A 48 9.036 4.413 4.948 1.00 0.00 C ATOM 809 CD1 PHE A 48 8.420 4.243 3.707 1.00 0.00 C ATOM 810 CD2 PHE A 48 9.030 5.684 5.519 1.00 0.00 C ATOM 811 CE1 PHE A 48 7.818 5.301 3.069 1.00 0.00 C ATOM 812 CE2 PHE A 48 8.426 6.741 4.873 1.00 0.00 C ATOM 813 CZ PHE A 48 7.822 6.550 3.650 1.00 0.00 C ATOM 0 H PHE A 48 7.660 2.766 7.002 1.00 0.00 H new ATOM 0 HA PHE A 48 8.706 1.696 4.501 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.866 3.483 6.690 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.696 3.083 5.200 1.00 0.00 H new ATOM 0 HD1 PHE A 48 8.416 3.268 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.503 5.842 6.477 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.341 5.153 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.426 7.721 5.327 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.351 7.381 3.146 1.00 0.00 H new ATOM 823 N THR A 49 10.273 -0.083 5.278 1.00 0.00 N ATOM 824 CA THR A 49 11.152 -1.170 5.704 1.00 0.00 C ATOM 825 C THR A 49 12.499 -0.596 6.198 1.00 0.00 C ATOM 826 O THR A 49 13.043 0.323 5.559 1.00 0.00 O ATOM 827 CB THR A 49 11.390 -2.208 4.539 1.00 0.00 C ATOM 828 OG1 THR A 49 10.420 -2.039 3.506 1.00 0.00 O ATOM 829 CG2 THR A 49 11.320 -3.661 5.018 1.00 0.00 C ATOM 0 H THR A 49 10.118 -0.046 4.271 1.00 0.00 H new ATOM 0 HA THR A 49 10.666 -1.699 6.524 1.00 0.00 H new ATOM 0 HB THR A 49 12.394 -2.010 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.585 -2.690 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.491 -4.331 4.175 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.083 -3.831 5.777 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.336 -3.857 5.443 1.00 0.00 H new ATOM 837 N PRO A 50 13.042 -1.108 7.347 1.00 0.00 N ATOM 838 CA PRO A 50 14.360 -0.678 7.865 1.00 0.00 C ATOM 839 C PRO A 50 15.483 -0.983 6.853 1.00 0.00 C ATOM 840 O PRO A 50 15.500 -2.071 6.254 1.00 0.00 O ATOM 841 CB PRO A 50 14.515 -1.511 9.170 1.00 0.00 C ATOM 842 CG PRO A 50 13.595 -2.680 9.005 1.00 0.00 C ATOM 843 CD PRO A 50 12.421 -2.141 8.232 1.00 0.00 C ATOM 0 HA PRO A 50 14.426 0.396 8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.546 -1.838 9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.248 -0.921 10.047 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.082 -3.494 8.468 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.283 -3.077 9.971 1.00 0.00 H new ATOM 0 HD2 PRO A 50 11.926 -2.922 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.669 -1.707 8.891 1.00 0.00 H new ATOM 851 N GLY A 51 16.380 -0.004 6.628 1.00 0.00 N ATOM 852 CA GLY A 51 17.484 -0.145 5.659 1.00 0.00 C ATOM 853 C GLY A 51 17.085 0.256 4.237 1.00 0.00 C ATOM 854 O GLY A 51 17.817 0.990 3.560 1.00 0.00 O ATOM 0 H GLY A 51 16.361 0.897 7.106 1.00 0.00 H new ATOM 0 HA2 GLY A 51 18.324 0.470 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.828 -1.179 5.656 1.00 0.00 H new ATOM 858 N LYS A 52 15.918 -0.254 3.787 1.00 0.00 N ATOM 859 CA LYS A 52 15.302 0.113 2.497 1.00 0.00 C ATOM 860 C LYS A 52 15.023 1.627 2.433 1.00 0.00 C ATOM 861 O LYS A 52 15.223 2.268 1.402 1.00 0.00 O ATOM 862 CB LYS A 52 13.976 -0.665 2.302 1.00 0.00 C ATOM 863 CG LYS A 52 14.124 -2.189 2.128 1.00 0.00 C ATOM 864 CD LYS A 52 14.820 -2.573 0.810 1.00 0.00 C ATOM 865 CE LYS A 52 14.929 -4.091 0.621 1.00 0.00 C ATOM 866 NZ LYS A 52 15.587 -4.445 -0.667 1.00 0.00 N ATOM 0 H LYS A 52 15.374 -0.937 4.314 1.00 0.00 H new ATOM 0 HA LYS A 52 15.999 -0.148 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.333 -0.475 3.162 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.465 -0.264 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.693 -2.592 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.138 -2.652 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.267 -2.145 -0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.818 -2.135 0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.495 -4.520 1.448 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.933 -4.533 0.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.641 -5.480 -0.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.033 -4.058 -1.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.547 -4.045 -0.688 1.00 0.00 H new ATOM 880 N THR A 53 14.555 2.165 3.562 1.00 0.00 N ATOM 881 CA THR A 53 14.316 3.596 3.755 1.00 0.00 C ATOM 882 C THR A 53 14.866 3.993 5.134 1.00 0.00 C ATOM 883 O THR A 53 14.700 3.216 6.094 1.00 0.00 O ATOM 884 CB THR A 53 12.781 3.926 3.668 1.00 0.00 C ATOM 885 OG1 THR A 53 12.237 3.400 2.448 1.00 0.00 O ATOM 886 CG2 THR A 53 12.490 5.439 3.732 1.00 0.00 C ATOM 0 H THR A 53 14.327 1.606 4.384 1.00 0.00 H new ATOM 0 HA THR A 53 14.819 4.160 2.969 1.00 0.00 H new ATOM 0 HB THR A 53 12.311 3.460 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.962 3.245 1.807 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.415 5.606 3.667 1.00 0.00 H new ATOM 0 HG22 THR A 53 12.864 5.842 4.673 1.00 0.00 H new ATOM 0 HG23 THR A 53 12.985 5.940 2.901 1.00 0.00 H new ATOM 894 N PRO A 54 15.569 5.169 5.265 1.00 0.00 N ATOM 895 CA PRO A 54 15.962 5.703 6.583 1.00 0.00 C ATOM 896 C PRO A 54 14.716 5.970 7.463 1.00 0.00 C ATOM 897 O PRO A 54 13.748 6.590 7.007 1.00 0.00 O ATOM 898 CB PRO A 54 16.727 7.019 6.244 1.00 0.00 C ATOM 899 CG PRO A 54 16.317 7.364 4.844 1.00 0.00 C ATOM 900 CD PRO A 54 16.074 6.037 4.159 1.00 0.00 C ATOM 0 HA PRO A 54 16.577 5.010 7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.465 7.817 6.939 1.00 0.00 H new ATOM 0 HB3 PRO A 54 17.805 6.877 6.315 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.418 7.980 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.096 7.932 4.335 1.00 0.00 H new ATOM 0 HD2 PRO A 54 15.345 6.127 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 54 16.988 5.638 3.719 1.00 0.00 H new ATOM 908 N VAL A 55 14.760 5.476 8.713 1.00 0.00 N ATOM 909 CA VAL A 55 13.684 5.676 9.716 1.00 0.00 C ATOM 910 C VAL A 55 13.645 7.160 10.171 1.00 0.00 C ATOM 911 O VAL A 55 12.666 7.630 10.766 1.00 0.00 O ATOM 912 CB VAL A 55 13.902 4.716 10.948 1.00 0.00 C ATOM 913 CG1 VAL A 55 12.719 4.769 11.945 1.00 0.00 C ATOM 914 CG2 VAL A 55 14.164 3.267 10.474 1.00 0.00 C ATOM 0 H VAL A 55 15.543 4.924 9.063 1.00 0.00 H new ATOM 0 HA VAL A 55 12.724 5.433 9.260 1.00 0.00 H new ATOM 0 HB VAL A 55 14.784 5.069 11.482 1.00 0.00 H new ATOM 0 HG11 VAL A 55 12.914 4.092 12.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.607 5.785 12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.802 4.467 11.438 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.312 2.622 11.340 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.309 2.912 9.899 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.056 3.245 9.849 1.00 0.00 H new ATOM 924 N ASP A 56 14.747 7.877 9.873 1.00 0.00 N ATOM 925 CA ASP A 56 14.855 9.342 10.008 1.00 0.00 C ATOM 926 C ASP A 56 13.819 10.043 9.106 1.00 0.00 C ATOM 927 O ASP A 56 13.247 11.075 9.481 1.00 0.00 O ATOM 928 CB ASP A 56 16.296 9.791 9.640 1.00 0.00 C ATOM 929 CG ASP A 56 16.538 11.307 9.778 1.00 0.00 C ATOM 930 OD1 ASP A 56 16.532 11.822 10.918 1.00 0.00 O ATOM 931 OD2 ASP A 56 16.728 11.991 8.750 1.00 0.00 O ATOM 0 H ASP A 56 15.603 7.445 9.525 1.00 0.00 H new ATOM 0 HA ASP A 56 14.649 9.624 11.040 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.004 9.262 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.507 9.492 8.613 1.00 0.00 H new ATOM 936 N GLY A 57 13.583 9.449 7.917 1.00 0.00 N ATOM 937 CA GLY A 57 12.536 9.902 6.999 1.00 0.00 C ATOM 938 C GLY A 57 11.140 9.616 7.554 1.00 0.00 C ATOM 939 O GLY A 57 10.851 8.477 7.936 1.00 0.00 O ATOM 0 H GLY A 57 14.113 8.648 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.645 10.972 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.655 9.404 6.036 1.00 0.00 H new ATOM 943 N GLN A 58 10.292 10.661 7.627 1.00 0.00 N ATOM 944 CA GLN A 58 8.939 10.581 8.210 1.00 0.00 C ATOM 945 C GLN A 58 8.040 9.656 7.386 1.00 0.00 C ATOM 946 O GLN A 58 8.082 9.690 6.154 1.00 0.00 O ATOM 947 CB GLN A 58 8.303 11.991 8.316 1.00 0.00 C ATOM 948 CG GLN A 58 9.097 12.978 9.181 1.00 0.00 C ATOM 949 CD GLN A 58 8.502 14.384 9.170 1.00 0.00 C ATOM 950 OE1 GLN A 58 8.846 15.197 8.316 1.00 0.00 O ATOM 951 NE2 GLN A 58 7.607 14.674 10.102 1.00 0.00 N ATOM 0 H GLN A 58 10.529 11.591 7.280 1.00 0.00 H new ATOM 0 HA GLN A 58 9.032 10.164 9.213 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.199 12.406 7.314 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.298 11.894 8.726 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.130 12.610 10.207 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.126 13.021 8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.346 13.972 10.795 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.178 15.599 10.127 1.00 0.00 H new ATOM 960 N TYR A 59 7.237 8.848 8.080 1.00 0.00 N ATOM 961 CA TYR A 59 6.324 7.883 7.458 1.00 0.00 C ATOM 962 C TYR A 59 5.200 8.602 6.719 1.00 0.00 C ATOM 963 O TYR A 59 4.708 9.647 7.162 1.00 0.00 O ATOM 964 CB TYR A 59 5.775 6.895 8.516 1.00 0.00 C ATOM 965 CG TYR A 59 6.838 5.904 9.015 1.00 0.00 C ATOM 966 CD1 TYR A 59 7.940 6.332 9.764 1.00 0.00 C ATOM 967 CD2 TYR A 59 6.756 4.542 8.720 1.00 0.00 C ATOM 968 CE1 TYR A 59 8.908 5.445 10.199 1.00 0.00 C ATOM 969 CE2 TYR A 59 7.723 3.651 9.157 1.00 0.00 C ATOM 970 CZ TYR A 59 8.795 4.104 9.892 1.00 0.00 C ATOM 971 OH TYR A 59 9.753 3.211 10.328 1.00 0.00 O ATOM 0 H TYR A 59 7.200 8.844 9.099 1.00 0.00 H new ATOM 0 HA TYR A 59 6.879 7.302 6.721 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.384 7.458 9.363 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.940 6.340 8.089 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.037 7.380 10.008 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.922 4.175 8.140 1.00 0.00 H new ATOM 0 HE1 TYR A 59 9.749 5.800 10.776 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.636 2.601 8.921 1.00 0.00 H new ATOM 0 HH TYR A 59 9.520 2.308 10.026 1.00 0.00 H new ATOM 981 N VAL A 60 4.809 8.029 5.582 1.00 0.00 N ATOM 982 CA VAL A 60 3.800 8.613 4.705 1.00 0.00 C ATOM 983 C VAL A 60 2.510 7.803 4.802 1.00 0.00 C ATOM 984 O VAL A 60 2.513 6.661 5.276 1.00 0.00 O ATOM 985 CB VAL A 60 4.292 8.696 3.210 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.539 9.595 3.067 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.558 7.305 2.623 1.00 0.00 C ATOM 0 H VAL A 60 5.185 7.144 5.243 1.00 0.00 H new ATOM 0 HA VAL A 60 3.615 9.635 5.035 1.00 0.00 H new ATOM 0 HB VAL A 60 3.484 9.152 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.847 9.626 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.301 10.603 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.350 9.191 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.895 7.404 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.327 6.803 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.640 6.717 2.650 1.00 0.00 H new ATOM 997 N TRP A 61 1.412 8.416 4.377 1.00 0.00 N ATOM 998 CA TRP A 61 0.073 7.817 4.435 1.00 0.00 C ATOM 999 C TRP A 61 -0.798 8.422 3.336 1.00 0.00 C ATOM 1000 O TRP A 61 -0.491 9.494 2.822 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.571 8.053 5.833 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.836 9.510 6.162 1.00 0.00 C ATOM 1003 CD1 TRP A 61 0.063 10.433 6.615 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.090 10.195 6.053 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.556 11.643 6.789 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -1.877 11.519 6.454 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.374 9.809 5.656 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -2.896 12.462 6.464 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.389 10.743 5.669 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.146 12.060 6.071 1.00 0.00 C ATOM 0 H TRP A 61 1.420 9.354 3.977 1.00 0.00 H new ATOM 0 HA TRP A 61 0.154 6.741 4.279 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.512 7.505 5.884 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.084 7.634 6.597 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.108 10.238 6.808 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.105 12.498 7.115 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.568 8.794 5.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.710 13.480 6.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.384 10.453 5.365 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.957 12.773 6.072 1.00 0.00 H new ATOM 1021 N PHE A 62 -1.900 7.754 3.009 1.00 0.00 N ATOM 1022 CA PHE A 62 -2.832 8.206 1.966 1.00 0.00 C ATOM 1023 C PHE A 62 -4.252 7.783 2.339 1.00 0.00 C ATOM 1024 O PHE A 62 -4.451 6.702 2.895 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.419 7.640 0.574 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.314 6.111 0.502 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.190 5.448 0.997 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.344 5.341 -0.038 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.099 4.070 0.950 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.247 3.965 -0.086 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.130 3.330 0.410 1.00 0.00 C ATOM 0 H PHE A 62 -2.178 6.881 3.457 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.797 9.293 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.144 7.975 -0.168 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.457 8.069 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.379 6.020 1.423 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.228 5.827 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.221 3.573 1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.050 3.384 -0.514 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.061 2.253 0.376 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.228 8.633 2.009 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.647 8.362 2.278 1.00 0.00 C ATOM 1043 C ASN A 63 -7.184 7.412 1.211 1.00 0.00 C ATOM 1044 O ASN A 63 -6.871 7.569 0.028 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.464 9.683 2.322 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.323 10.522 1.045 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -6.376 11.301 0.909 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -8.258 10.382 0.118 1.00 0.00 N ATOM 0 H ASN A 63 -5.060 9.527 1.549 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.748 7.890 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.516 9.447 2.480 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.139 10.276 3.177 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.209 10.928 -0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.027 9.728 0.264 1.00 0.00 H new ATOM 1055 N ILE A 64 -7.963 6.402 1.627 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.546 5.428 0.688 1.00 0.00 C ATOM 1057 C ILE A 64 -10.055 5.649 0.548 1.00 0.00 C ATOM 1058 O ILE A 64 -10.579 5.627 -0.570 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.238 3.938 1.083 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.777 3.579 2.505 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.722 3.672 0.987 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.747 2.099 2.833 1.00 0.00 C ATOM 0 H ILE A 64 -8.204 6.237 2.604 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.070 5.600 -0.277 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.761 3.293 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.188 4.115 3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.803 3.937 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.516 2.638 1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.385 3.850 -0.034 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.192 4.340 1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.138 1.941 3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.360 1.555 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.721 1.736 2.782 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.744 5.904 1.680 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.203 5.994 1.703 1.00 0.00 C ATOM 1076 C GLY A 65 -12.865 4.667 1.334 1.00 0.00 C ATOM 1077 O GLY A 65 -13.250 3.891 2.214 1.00 0.00 O ATOM 0 H GLY A 65 -10.303 6.050 2.588 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.532 6.299 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.529 6.767 1.008 1.00 0.00 H new ATOM 1081 N SER A 66 -12.956 4.405 0.022 1.00 0.00 N ATOM 1082 CA SER A 66 -13.445 3.142 -0.520 1.00 0.00 C ATOM 1083 C SER A 66 -12.365 2.062 -0.335 1.00 0.00 C ATOM 1084 O SER A 66 -11.384 1.997 -1.092 1.00 0.00 O ATOM 1085 CB SER A 66 -13.814 3.313 -2.004 1.00 0.00 C ATOM 1086 OG SER A 66 -14.790 4.332 -2.181 1.00 0.00 O ATOM 0 H SER A 66 -12.687 5.077 -0.697 1.00 0.00 H new ATOM 0 HA SER A 66 -14.344 2.832 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.920 3.560 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.194 2.370 -2.397 1.00 0.00 H new ATOM 0 HG SER A 66 -15.003 4.419 -3.134 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.535 1.285 0.737 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.662 0.155 1.092 1.00 0.00 C ATOM 1094 C VAL A 67 -11.647 -0.901 -0.025 1.00 0.00 C ATOM 1095 O VAL A 67 -10.626 -1.559 -0.254 1.00 0.00 O ATOM 1096 CB VAL A 67 -12.121 -0.505 2.442 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -11.121 -1.581 2.915 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -12.340 0.566 3.529 1.00 0.00 C ATOM 0 H VAL A 67 -13.299 1.424 1.399 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.652 0.546 1.217 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.073 -1.003 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.470 -2.016 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.042 -2.362 2.159 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.143 -1.126 3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.657 0.086 4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.409 1.106 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -13.109 1.265 3.201 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.799 -1.052 -0.705 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.954 -1.933 -1.874 1.00 0.00 C ATOM 1110 C ASP A 68 -11.954 -1.564 -2.980 1.00 0.00 C ATOM 1111 O ASP A 68 -11.364 -2.448 -3.620 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.406 -1.828 -2.425 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.492 -2.113 -1.374 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.817 -1.198 -0.584 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -16.028 -3.243 -1.327 1.00 0.00 O ATOM 0 H ASP A 68 -13.656 -0.560 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.755 -2.957 -1.558 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.559 -0.828 -2.830 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.522 -2.528 -3.252 1.00 0.00 H new ATOM 1120 N THR A 69 -11.769 -0.244 -3.181 1.00 0.00 N ATOM 1121 CA THR A 69 -10.829 0.279 -4.171 1.00 0.00 C ATOM 1122 C THR A 69 -9.384 -0.050 -3.755 1.00 0.00 C ATOM 1123 O THR A 69 -8.615 -0.548 -4.575 1.00 0.00 O ATOM 1124 CB THR A 69 -10.999 1.820 -4.382 1.00 0.00 C ATOM 1125 OG1 THR A 69 -12.378 2.118 -4.620 1.00 0.00 O ATOM 1126 CG2 THR A 69 -10.154 2.349 -5.556 1.00 0.00 C ATOM 0 H THR A 69 -12.267 0.479 -2.661 1.00 0.00 H new ATOM 0 HA THR A 69 -11.048 -0.205 -5.123 1.00 0.00 H new ATOM 0 HB THR A 69 -10.649 2.314 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.486 3.083 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.308 3.423 -5.660 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.100 2.150 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.456 1.848 -6.476 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.051 0.183 -2.464 1.00 0.00 N ATOM 1135 CA PHE A 70 -7.721 -0.144 -1.908 1.00 0.00 C ATOM 1136 C PHE A 70 -7.343 -1.612 -2.192 1.00 0.00 C ATOM 1137 O PHE A 70 -6.294 -1.867 -2.770 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.660 0.137 -0.379 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.348 -0.309 0.287 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.143 0.323 -0.017 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.324 -1.374 1.192 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -3.960 -0.094 0.562 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.142 -1.785 1.770 1.00 0.00 C ATOM 1144 CZ PHE A 70 -3.960 -1.147 1.456 1.00 0.00 C ATOM 0 H PHE A 70 -9.690 0.598 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 70 -6.998 0.503 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.796 1.205 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.493 -0.371 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.134 1.148 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.244 -1.882 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.034 0.404 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.141 -2.608 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.035 -1.471 1.909 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.243 -2.531 -1.822 1.00 0.00 N ATOM 1155 CA GLU A 71 -8.031 -3.983 -1.955 1.00 0.00 C ATOM 1156 C GLU A 71 -7.789 -4.418 -3.409 1.00 0.00 C ATOM 1157 O GLU A 71 -6.740 -4.987 -3.728 1.00 0.00 O ATOM 1158 CB GLU A 71 -9.259 -4.748 -1.384 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.309 -4.816 0.145 1.00 0.00 C ATOM 1160 CD GLU A 71 -8.149 -5.641 0.727 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -8.196 -6.885 0.637 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -7.182 -5.053 1.260 1.00 0.00 O ATOM 0 H GLU A 71 -9.148 -2.289 -1.418 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.132 -4.227 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.169 -4.269 -1.744 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.255 -5.763 -1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -9.275 -3.806 0.553 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.257 -5.254 0.457 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.769 -4.131 -4.278 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.784 -4.630 -5.663 1.00 0.00 C ATOM 1171 C ARG A 72 -7.650 -4.015 -6.496 1.00 0.00 C ATOM 1172 O ARG A 72 -7.037 -4.717 -7.313 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.170 -4.383 -6.297 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.319 -5.128 -5.574 1.00 0.00 C ATOM 1175 CD ARG A 72 -12.701 -4.816 -6.169 1.00 0.00 C ATOM 1176 NE ARG A 72 -13.043 -3.382 -6.071 1.00 0.00 N ATOM 1177 CZ ARG A 72 -14.280 -2.880 -5.906 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -15.347 -3.682 -5.814 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -14.439 -1.564 -5.842 1.00 0.00 N ATOM 0 H ARG A 72 -9.572 -3.548 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.606 -5.705 -5.648 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.379 -3.313 -6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.145 -4.696 -7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.140 -6.202 -5.628 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.314 -4.857 -4.518 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.721 -5.121 -7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -13.458 -5.404 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.274 -2.715 -6.134 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.231 -4.694 -5.869 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.277 -3.282 -5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.629 -0.948 -5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.371 -1.168 -5.717 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.340 -2.721 -6.250 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.187 -2.052 -6.894 1.00 0.00 C ATOM 1195 C ASN A 73 -4.890 -2.727 -6.447 1.00 0.00 C ATOM 1196 O ASN A 73 -4.135 -3.186 -7.276 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.124 -0.528 -6.573 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.229 0.326 -7.217 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -6.995 1.476 -7.574 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.439 -0.197 -7.338 1.00 0.00 N ATOM 0 H ASN A 73 -7.869 -2.123 -5.615 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.314 -2.149 -7.972 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.172 -0.399 -5.492 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.156 -0.145 -6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.197 0.358 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -8.613 -1.155 -7.035 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.718 -2.844 -5.116 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.509 -3.396 -4.455 1.00 0.00 C ATOM 1209 C LEU A 74 -3.119 -4.791 -4.993 1.00 0.00 C ATOM 1210 O LEU A 74 -1.976 -5.013 -5.396 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.779 -3.491 -2.930 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.613 -3.966 -2.016 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.455 -2.954 -2.011 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -3.124 -4.239 -0.584 1.00 0.00 C ATOM 0 H LEU A 74 -5.432 -2.551 -4.449 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.676 -2.726 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.097 -2.507 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.620 -4.168 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.225 -4.900 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.657 -3.317 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.072 -2.834 -3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.813 -1.993 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.295 -4.570 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.549 -3.325 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.889 -5.015 -0.612 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.092 -5.709 -4.982 1.00 0.00 N ATOM 1227 CA GLU A 75 -3.876 -7.112 -5.369 1.00 0.00 C ATOM 1228 C GLU A 75 -3.577 -7.268 -6.870 1.00 0.00 C ATOM 1229 O GLU A 75 -2.625 -7.968 -7.233 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.087 -7.966 -4.951 1.00 0.00 C ATOM 1231 CG GLU A 75 -5.359 -7.971 -3.437 1.00 0.00 C ATOM 1232 CD GLU A 75 -4.180 -8.515 -2.608 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -4.073 -9.747 -2.448 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -3.361 -7.711 -2.097 1.00 0.00 O ATOM 0 H GLU A 75 -5.052 -5.503 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.991 -7.468 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.973 -7.598 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.927 -8.992 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.585 -6.955 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.244 -8.574 -3.236 1.00 0.00 H new ATOM 1241 N THR A 76 -4.363 -6.582 -7.735 1.00 0.00 N ATOM 1242 CA THR A 76 -4.155 -6.643 -9.194 1.00 0.00 C ATOM 1243 C THR A 76 -2.788 -6.025 -9.564 1.00 0.00 C ATOM 1244 O THR A 76 -2.037 -6.595 -10.338 1.00 0.00 O ATOM 1245 CB THR A 76 -5.298 -5.922 -9.962 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.567 -6.429 -9.513 1.00 0.00 O ATOM 1247 CG2 THR A 76 -5.195 -6.115 -11.486 1.00 0.00 C ATOM 0 H THR A 76 -5.139 -5.986 -7.447 1.00 0.00 H new ATOM 0 HA THR A 76 -4.165 -7.692 -9.490 1.00 0.00 H new ATOM 0 HB THR A 76 -5.207 -4.856 -9.754 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.865 -5.919 -8.731 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.017 -5.592 -11.975 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.246 -5.712 -11.840 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.249 -7.178 -11.723 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.517 -4.860 -8.951 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.218 -4.142 -8.982 1.00 0.00 C ATOM 1257 C LEU A 77 -0.022 -5.080 -8.719 1.00 0.00 C ATOM 1258 O LEU A 77 0.945 -5.088 -9.487 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.250 -3.022 -7.914 1.00 0.00 C ATOM 1260 CG LEU A 77 -0.040 -2.064 -7.830 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.085 -1.228 -9.115 1.00 0.00 C ATOM 1262 CD2 LEU A 77 -0.158 -1.169 -6.578 1.00 0.00 C ATOM 0 H LEU A 77 -3.219 -4.369 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.082 -3.725 -9.980 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.141 -2.419 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.370 -3.494 -6.939 1.00 0.00 H new ATOM 0 HG LEU A 77 0.872 -2.654 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.943 -0.561 -9.033 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.221 -1.892 -9.969 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.821 -0.638 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.699 -0.498 -6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.075 -0.583 -6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.182 -1.794 -5.685 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.135 -5.900 -7.651 1.00 0.00 N ATOM 1275 CA GLN A 78 0.893 -6.891 -7.278 1.00 0.00 C ATOM 1276 C GLN A 78 1.082 -7.947 -8.389 1.00 0.00 C ATOM 1277 O GLN A 78 2.210 -8.267 -8.754 1.00 0.00 O ATOM 1278 CB GLN A 78 0.535 -7.577 -5.928 1.00 0.00 C ATOM 1279 CG GLN A 78 0.729 -6.674 -4.685 1.00 0.00 C ATOM 1280 CD GLN A 78 0.316 -7.329 -3.357 1.00 0.00 C ATOM 1281 OE1 GLN A 78 0.911 -7.057 -2.309 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -0.722 -8.165 -3.373 1.00 0.00 N ATOM 0 H GLN A 78 -0.941 -5.892 -7.026 1.00 0.00 H new ATOM 0 HA GLN A 78 1.837 -6.359 -7.155 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.503 -7.906 -5.965 1.00 0.00 H new ATOM 0 HB3 GLN A 78 1.149 -8.470 -5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.777 -6.382 -4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.151 -5.760 -4.821 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.196 -8.373 -4.252 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.042 -8.597 -2.506 1.00 0.00 H new ATOM 1291 N GLN A 79 -0.034 -8.429 -8.954 1.00 0.00 N ATOM 1292 CA GLN A 79 -0.026 -9.458 -10.015 1.00 0.00 C ATOM 1293 C GLN A 79 0.634 -8.924 -11.303 1.00 0.00 C ATOM 1294 O GLN A 79 1.423 -9.625 -11.941 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.470 -9.926 -10.313 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.219 -10.541 -9.105 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.721 -10.764 -9.344 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -4.312 -11.698 -8.807 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -4.353 -9.894 -10.130 1.00 0.00 N ATOM 0 H GLN A 79 -0.970 -8.119 -8.692 1.00 0.00 H new ATOM 0 HA GLN A 79 0.560 -10.306 -9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.043 -9.076 -10.682 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.439 -10.662 -11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.757 -11.495 -8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.093 -9.887 -8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.836 -9.128 -10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.354 -9.993 -10.300 1.00 0.00 H new ATOM 1308 N GLU A 80 0.313 -7.665 -11.647 1.00 0.00 N ATOM 1309 CA GLU A 80 0.824 -6.991 -12.852 1.00 0.00 C ATOM 1310 C GLU A 80 2.335 -6.711 -12.737 1.00 0.00 C ATOM 1311 O GLU A 80 3.080 -6.890 -13.705 1.00 0.00 O ATOM 1312 CB GLU A 80 0.018 -5.680 -13.092 1.00 0.00 C ATOM 1313 CG GLU A 80 -1.483 -5.911 -13.388 1.00 0.00 C ATOM 1314 CD GLU A 80 -2.291 -4.610 -13.524 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -2.598 -3.981 -12.487 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -2.614 -4.202 -14.665 1.00 0.00 O ATOM 0 H GLU A 80 -0.313 -7.082 -11.092 1.00 0.00 H new ATOM 0 HA GLU A 80 0.689 -7.648 -13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.111 -5.042 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.464 -5.139 -13.927 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.579 -6.486 -14.309 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.914 -6.514 -12.589 1.00 0.00 H new ATOM 1323 N LEU A 81 2.776 -6.297 -11.536 1.00 0.00 N ATOM 1324 CA LEU A 81 4.200 -6.013 -11.249 1.00 0.00 C ATOM 1325 C LEU A 81 5.023 -7.298 -11.010 1.00 0.00 C ATOM 1326 O LEU A 81 6.260 -7.255 -11.053 1.00 0.00 O ATOM 1327 CB LEU A 81 4.311 -5.050 -10.035 1.00 0.00 C ATOM 1328 CG LEU A 81 3.747 -3.606 -10.249 1.00 0.00 C ATOM 1329 CD1 LEU A 81 3.799 -2.788 -8.939 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.489 -2.879 -11.397 1.00 0.00 C ATOM 0 H LEU A 81 2.160 -6.149 -10.737 1.00 0.00 H new ATOM 0 HA LEU A 81 4.625 -5.533 -12.131 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.789 -5.501 -9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.361 -4.970 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 81 2.701 -3.697 -10.540 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.401 -1.789 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.201 -3.286 -8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.832 -2.711 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.075 -1.878 -11.522 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.549 -2.805 -11.156 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.366 -3.441 -12.323 1.00 0.00 H new ATOM 1342 N GLY A 82 4.338 -8.437 -10.779 1.00 0.00 N ATOM 1343 CA GLY A 82 5.005 -9.718 -10.503 1.00 0.00 C ATOM 1344 C GLY A 82 5.353 -9.916 -9.028 1.00 0.00 C ATOM 1345 O GLY A 82 6.132 -10.808 -8.688 1.00 0.00 O ATOM 0 H GLY A 82 3.319 -8.491 -10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.359 -10.533 -10.829 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.918 -9.779 -11.095 1.00 0.00 H new ATOM 1349 N ILE A 83 4.774 -9.069 -8.159 1.00 0.00 N ATOM 1350 CA ILE A 83 4.948 -9.127 -6.701 1.00 0.00 C ATOM 1351 C ILE A 83 4.193 -10.355 -6.148 1.00 0.00 C ATOM 1352 O ILE A 83 2.955 -10.373 -6.113 1.00 0.00 O ATOM 1353 CB ILE A 83 4.435 -7.790 -6.035 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.247 -6.566 -6.571 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.483 -7.851 -4.496 1.00 0.00 C ATOM 1356 CD1 ILE A 83 4.793 -5.211 -6.052 1.00 0.00 C ATOM 0 H ILE A 83 4.161 -8.311 -8.459 1.00 0.00 H new ATOM 0 HA ILE A 83 6.006 -9.230 -6.460 1.00 0.00 H new ATOM 0 HB ILE A 83 3.389 -7.666 -6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.296 -6.704 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.187 -6.559 -7.659 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.121 -6.909 -4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.853 -8.668 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.510 -8.019 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.418 -4.429 -6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.754 -5.042 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.881 -5.189 -4.966 1.00 0.00 H new ATOM 1368 N GLU A 84 4.960 -11.375 -5.728 1.00 0.00 N ATOM 1369 CA GLU A 84 4.430 -12.690 -5.319 1.00 0.00 C ATOM 1370 C GLU A 84 5.153 -13.196 -4.055 1.00 0.00 C ATOM 1371 O GLU A 84 6.312 -12.833 -3.807 1.00 0.00 O ATOM 1372 CB GLU A 84 4.589 -13.713 -6.488 1.00 0.00 C ATOM 1373 CG GLU A 84 6.045 -13.921 -6.964 1.00 0.00 C ATOM 1374 CD GLU A 84 6.213 -15.018 -8.036 1.00 0.00 C ATOM 1375 OE1 GLU A 84 5.688 -16.138 -7.846 1.00 0.00 O ATOM 1376 OE2 GLU A 84 6.923 -14.793 -9.041 1.00 0.00 O ATOM 0 H GLU A 84 5.976 -11.311 -5.662 1.00 0.00 H new ATOM 0 HA GLU A 84 3.371 -12.585 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.183 -14.674 -6.171 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.988 -13.376 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.422 -12.979 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.664 -14.173 -6.103 1.00 0.00 H new ATOM 1383 N GLY A 85 4.431 -14.011 -3.255 1.00 0.00 N ATOM 1384 CA GLY A 85 4.996 -14.678 -2.080 1.00 0.00 C ATOM 1385 C GLY A 85 5.450 -13.713 -0.987 1.00 0.00 C ATOM 1386 O GLY A 85 4.640 -12.945 -0.458 1.00 0.00 O ATOM 0 H GLY A 85 3.445 -14.219 -3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.252 -15.358 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.845 -15.286 -2.391 1.00 0.00 H new ATOM 1390 N GLU A 86 6.762 -13.752 -0.676 1.00 0.00 N ATOM 1391 CA GLU A 86 7.393 -12.911 0.372 1.00 0.00 C ATOM 1392 C GLU A 86 7.307 -11.413 0.029 1.00 0.00 C ATOM 1393 O GLU A 86 7.245 -10.564 0.919 1.00 0.00 O ATOM 1394 CB GLU A 86 8.886 -13.317 0.550 1.00 0.00 C ATOM 1395 CG GLU A 86 9.755 -13.088 -0.711 1.00 0.00 C ATOM 1396 CD GLU A 86 11.223 -13.503 -0.544 1.00 0.00 C ATOM 1397 OE1 GLU A 86 11.979 -12.777 0.135 1.00 0.00 O ATOM 1398 OE2 GLU A 86 11.639 -14.540 -1.102 1.00 0.00 O ATOM 0 H GLU A 86 7.422 -14.372 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 86 6.848 -13.078 1.301 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.310 -12.750 1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.935 -14.370 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.323 -13.645 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.715 -12.032 -0.980 1.00 0.00 H new ATOM 1405 N ASN A 87 7.287 -11.117 -1.279 1.00 0.00 N ATOM 1406 CA ASN A 87 7.398 -9.740 -1.804 1.00 0.00 C ATOM 1407 C ASN A 87 6.096 -8.946 -1.552 1.00 0.00 C ATOM 1408 O ASN A 87 6.103 -7.710 -1.529 1.00 0.00 O ATOM 1409 CB ASN A 87 7.745 -9.811 -3.321 1.00 0.00 C ATOM 1410 CG ASN A 87 8.477 -8.583 -3.909 1.00 0.00 C ATOM 1411 OD1 ASN A 87 9.382 -8.741 -4.724 1.00 0.00 O ATOM 1412 ND2 ASN A 87 8.098 -7.362 -3.550 1.00 0.00 N ATOM 0 H ASN A 87 7.193 -11.825 -2.008 1.00 0.00 H new ATOM 0 HA ASN A 87 8.194 -9.209 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.363 -10.693 -3.491 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.820 -9.958 -3.878 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.559 -6.546 -3.952 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.345 -7.240 -2.872 1.00 0.00 H new ATOM 1419 N ARG A 88 4.983 -9.676 -1.351 1.00 0.00 N ATOM 1420 CA ARG A 88 3.655 -9.077 -1.128 1.00 0.00 C ATOM 1421 C ARG A 88 3.626 -8.326 0.200 1.00 0.00 C ATOM 1422 O ARG A 88 4.323 -8.698 1.152 1.00 0.00 O ATOM 1423 CB ARG A 88 2.547 -10.155 -1.177 1.00 0.00 C ATOM 1424 CG ARG A 88 2.566 -10.975 -2.474 1.00 0.00 C ATOM 1425 CD ARG A 88 1.500 -12.073 -2.501 1.00 0.00 C ATOM 1426 NE ARG A 88 0.146 -11.519 -2.605 1.00 0.00 N ATOM 1427 CZ ARG A 88 -0.696 -11.709 -3.636 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -0.327 -12.445 -4.676 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -1.899 -11.162 -3.619 1.00 0.00 N ATOM 0 H ARG A 88 4.980 -10.696 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 88 3.462 -8.364 -1.930 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.664 -10.827 -0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.575 -9.674 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.414 -10.307 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.550 -11.428 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.686 -12.738 -3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.577 -12.676 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.184 -10.942 -1.831 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.600 -12.870 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.970 -12.586 -5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.190 -10.595 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.536 -11.307 -4.402 1.00 0.00 H new ATOM 1443 N VAL A 89 2.800 -7.280 0.253 1.00 0.00 N ATOM 1444 CA VAL A 89 2.827 -6.300 1.353 1.00 0.00 C ATOM 1445 C VAL A 89 1.841 -6.724 2.468 1.00 0.00 C ATOM 1446 O VAL A 89 0.653 -6.870 2.191 1.00 0.00 O ATOM 1447 CB VAL A 89 2.470 -4.851 0.838 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.713 -3.802 1.945 1.00 0.00 C ATOM 1449 CG2 VAL A 89 3.256 -4.506 -0.453 1.00 0.00 C ATOM 0 H VAL A 89 2.095 -7.084 -0.458 1.00 0.00 H new ATOM 0 HA VAL A 89 3.839 -6.276 1.757 1.00 0.00 H new ATOM 0 HB VAL A 89 1.409 -4.832 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.461 -2.811 1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.088 -4.032 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.762 -3.822 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.989 -3.502 -0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.326 -4.549 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.006 -5.224 -1.234 1.00 0.00 H new ATOM 1459 N PRO A 90 2.321 -6.974 3.735 1.00 0.00 N ATOM 1460 CA PRO A 90 1.434 -7.284 4.896 1.00 0.00 C ATOM 1461 C PRO A 90 0.478 -6.121 5.196 1.00 0.00 C ATOM 1462 O PRO A 90 0.926 -4.999 5.385 1.00 0.00 O ATOM 1463 CB PRO A 90 2.441 -7.512 6.064 1.00 0.00 C ATOM 1464 CG PRO A 90 3.729 -7.857 5.379 1.00 0.00 C ATOM 1465 CD PRO A 90 3.750 -7.004 4.135 1.00 0.00 C ATOM 0 HA PRO A 90 0.787 -8.143 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.545 -6.619 6.680 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.112 -8.317 6.722 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.586 -7.644 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.773 -8.918 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.135 -6.004 4.336 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.379 -7.437 3.357 1.00 0.00 H new ATOM 1473 N VAL A 91 -0.835 -6.382 5.206 1.00 0.00 N ATOM 1474 CA VAL A 91 -1.854 -5.331 5.393 1.00 0.00 C ATOM 1475 C VAL A 91 -2.629 -5.584 6.699 1.00 0.00 C ATOM 1476 O VAL A 91 -3.292 -6.611 6.845 1.00 0.00 O ATOM 1477 CB VAL A 91 -2.824 -5.261 4.160 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -3.869 -4.148 4.331 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.033 -5.070 2.848 1.00 0.00 C ATOM 0 H VAL A 91 -1.223 -7.318 5.086 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.354 -4.365 5.467 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.356 -6.211 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.524 -4.127 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.461 -4.339 5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.364 -3.187 4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.727 -5.024 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.463 -4.142 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.350 -5.908 2.709 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.541 -4.629 7.637 1.00 0.00 N ATOM 1490 CA VAL A 92 -3.088 -4.755 8.995 1.00 0.00 C ATOM 1491 C VAL A 92 -4.237 -3.761 9.179 1.00 0.00 C ATOM 1492 O VAL A 92 -4.005 -2.555 9.299 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.975 -4.489 10.078 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.528 -4.604 11.519 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.775 -5.430 9.862 1.00 0.00 C ATOM 0 H VAL A 92 -2.081 -3.734 7.470 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.457 -5.772 9.126 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.633 -3.462 9.954 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.727 -4.413 12.233 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.324 -3.873 11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.924 -5.607 11.678 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.016 -5.232 10.619 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.106 -6.466 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.353 -5.259 8.872 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.471 -4.277 9.177 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.671 -3.480 9.446 1.00 0.00 C ATOM 1507 C TYR A 93 -6.773 -3.184 10.949 1.00 0.00 C ATOM 1508 O TYR A 93 -6.757 -4.097 11.780 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.939 -4.211 8.929 1.00 0.00 C ATOM 1510 CG TYR A 93 -8.147 -4.069 7.416 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.258 -4.642 6.505 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -9.217 -3.332 6.899 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.426 -4.483 5.145 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -9.387 -3.181 5.546 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.491 -3.750 4.673 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.661 -3.576 3.323 1.00 0.00 O ATOM 0 H TYR A 93 -5.665 -5.260 8.988 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.597 -2.532 8.913 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.868 -5.269 9.181 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.813 -3.818 9.447 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.423 -5.221 6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.922 -2.874 7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.726 -4.931 4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.225 -2.615 5.167 1.00 0.00 H new ATOM 0 HH TYR A 93 -7.979 -4.087 2.839 1.00 0.00 H new ATOM 1526 N ILE A 94 -6.842 -1.895 11.270 1.00 0.00 N ATOM 1527 CA ILE A 94 -6.923 -1.375 12.638 1.00 0.00 C ATOM 1528 C ILE A 94 -8.238 -0.585 12.772 1.00 0.00 C ATOM 1529 O ILE A 94 -8.628 0.109 11.832 1.00 0.00 O ATOM 1530 CB ILE A 94 -5.689 -0.434 12.935 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -4.334 -1.143 12.584 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -5.701 0.041 14.406 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -3.092 -0.282 12.761 1.00 0.00 C ATOM 0 H ILE A 94 -6.843 -1.158 10.565 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.904 -2.196 13.355 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.778 0.444 12.295 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.234 -2.031 13.208 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.377 -1.484 11.549 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.842 0.687 14.587 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.619 0.594 14.602 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.650 -0.823 15.068 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.207 -0.860 12.494 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.162 0.594 12.116 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.016 0.038 13.800 1.00 0.00 H new ATOM 1545 N ALA A 95 -8.926 -0.707 13.916 1.00 0.00 N ATOM 1546 CA ALA A 95 -10.164 0.045 14.186 1.00 0.00 C ATOM 1547 C ALA A 95 -10.055 0.790 15.522 1.00 0.00 C ATOM 1548 O ALA A 95 -10.432 0.267 16.575 1.00 0.00 O ATOM 1549 CB ALA A 95 -11.382 -0.902 14.160 1.00 0.00 C ATOM 0 H ALA A 95 -8.644 -1.325 14.677 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.306 0.790 13.403 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.290 -0.333 14.361 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.457 -1.371 13.179 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.260 -1.672 14.922 1.00 0.00 H new ATOM 1555 N GLU A 96 -9.480 1.996 15.471 1.00 0.00 N ATOM 1556 CA GLU A 96 -9.428 2.910 16.623 1.00 0.00 C ATOM 1557 C GLU A 96 -10.678 3.815 16.624 1.00 0.00 C ATOM 1558 O GLU A 96 -11.566 3.657 15.779 1.00 0.00 O ATOM 1559 CB GLU A 96 -8.119 3.758 16.580 1.00 0.00 C ATOM 1560 CG GLU A 96 -6.817 2.927 16.508 1.00 0.00 C ATOM 1561 CD GLU A 96 -6.664 1.909 17.659 1.00 0.00 C ATOM 1562 OE1 GLU A 96 -6.189 2.289 18.750 1.00 0.00 O ATOM 1563 OE2 GLU A 96 -7.007 0.720 17.474 1.00 0.00 O ATOM 0 H GLU A 96 -9.037 2.368 14.631 1.00 0.00 H new ATOM 0 HA GLU A 96 -9.421 2.330 17.546 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.159 4.421 15.716 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.082 4.391 17.467 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.789 2.394 15.558 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.963 3.605 16.519 1.00 0.00 H new ATOM 1570 N SER A 97 -10.734 4.762 17.568 1.00 0.00 N ATOM 1571 CA SER A 97 -11.839 5.719 17.683 1.00 0.00 C ATOM 1572 C SER A 97 -11.324 7.013 18.334 1.00 0.00 C ATOM 1573 O SER A 97 -11.451 7.223 19.549 1.00 0.00 O ATOM 1574 CB SER A 97 -13.014 5.090 18.474 1.00 0.00 C ATOM 1575 OG SER A 97 -14.155 5.936 18.480 1.00 0.00 O ATOM 0 H SER A 97 -10.011 4.886 18.276 1.00 0.00 H new ATOM 0 HA SER A 97 -12.221 5.970 16.693 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.276 4.128 18.033 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.700 4.895 19.499 1.00 0.00 H new ATOM 0 HG SER A 97 -14.877 5.508 18.986 1.00 0.00 H new ATOM 1581 N ASP A 98 -10.675 7.852 17.510 1.00 0.00 N ATOM 1582 CA ASP A 98 -10.159 9.158 17.937 1.00 0.00 C ATOM 1583 C ASP A 98 -11.240 10.227 17.742 1.00 0.00 C ATOM 1584 O ASP A 98 -11.480 10.690 16.616 1.00 0.00 O ATOM 1585 CB ASP A 98 -8.869 9.516 17.159 1.00 0.00 C ATOM 1586 CG ASP A 98 -8.262 10.873 17.580 1.00 0.00 C ATOM 1587 OD1 ASP A 98 -7.706 10.961 18.697 1.00 0.00 O ATOM 1588 OD2 ASP A 98 -8.336 11.850 16.799 1.00 0.00 O ATOM 0 H ASP A 98 -10.494 7.641 16.528 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.902 9.113 18.995 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.129 8.731 17.314 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.090 9.540 16.092 1.00 0.00 H new ATOM 1593 N GLY A 99 -11.939 10.550 18.835 1.00 0.00 N ATOM 1594 CA GLY A 99 -12.924 11.632 18.854 1.00 0.00 C ATOM 1595 C GLY A 99 -14.278 11.166 19.390 1.00 0.00 C ATOM 1596 O GLY A 99 -14.470 11.177 20.622 1.00 0.00 O ATOM 1597 OXT GLY A 99 -15.159 10.784 18.594 1.00 0.00 O ATOM 0 H GLY A 99 -11.837 10.069 19.729 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.552 12.450 19.471 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.050 12.025 17.845 1.00 0.00 H new TER 1601 GLY A 99