USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 930 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 -10 SER OG : rot -59:sc= 1.37 USER MOD Set 1.2: A -15 HIS : no HE2:sc= 1.16 K(o=2.5,f=-6!) USER MOD Set 2.1: A 40 TYR OH : rot -164:sc= 0.158 USER MOD Set 2.2: A 74 THR OG1 : rot 96:sc= 2.16 USER MOD Set 2.3: A 92 ASN : amide:sc= 0.889 K(o=3.2,f=-8.7!) USER MOD Single : A 0 MET CE :methyl -155:sc= -1.22 (180deg=-2.99!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.263 (180deg=-0.625) USER MOD Single : A 3 LYS NZ :NH3+ -161:sc= -0.0578 (180deg=-0.371) USER MOD Single : A 5 THR OG1 : rot -170:sc= 1.03 USER MOD Single : A -1 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A -2 SER OG : rot 42:sc= -0.116 USER MOD Single : A -9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0.595 K(o=0.59,f=-1.1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.49) USER MOD Single : A 21 THR OG1 : rot 173:sc= -3.28! USER MOD Single : A 24 MET CE :methyl 178:sc= -1.44 (180deg=-1.5) USER MOD Single : A 25 CYS SG : rot 14:sc= -0.594 USER MOD Single : A 33 ASN : amide:sc= -0.692 X(o=-0.69,f=-1) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0612 USER MOD Single : A 42 MET CE :methyl 136:sc= -0.409 (180deg=-1.29) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -130:sc= 1.22 USER MOD Single : A 56 SER OG : rot -79:sc= 1.77 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.73) USER MOD Single : A 87 HIS : no HD1:sc= 0.898 K(o=0.9,f=-4.8!) USER MOD Single : A 97 THR OG1 : rot -50:sc= 1.29 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0304 USER MOD Single : A -11 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A -12 HIS : no HD1:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A -13 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.0028) USER MOD Single : A -14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -16 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A -17 SER OG : rot 180:sc= 0.234 USER MOD Single : A -18 SER OG : rot 180:sc= 0 USER MOD Single : A -20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -20 MET N :NH3+ -166:sc= -0.044 (180deg=-0.286) USER MOD Single : A 102 SER OG : rot 180:sc=-0.00842 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -20 71.023 31.713 -13.250 1.00 0.00 N ATOM 2 CA MET A -20 71.744 30.508 -12.782 1.00 0.00 C ATOM 3 C MET A -20 70.832 29.631 -11.937 1.00 0.00 C ATOM 4 O MET A -20 70.330 30.057 -10.895 1.00 0.00 O ATOM 5 CB MET A -20 72.974 30.896 -11.953 1.00 0.00 C ATOM 6 CG MET A -20 73.982 31.749 -12.702 1.00 0.00 C ATOM 7 SD MET A -20 75.354 32.278 -11.661 1.00 0.00 S ATOM 8 CE MET A -20 76.260 33.302 -12.816 1.00 0.00 C ATOM 0 H1 MET A -20 71.570 32.173 -14.006 1.00 0.00 H new ATOM 0 H2 MET A -20 70.089 31.438 -13.616 1.00 0.00 H new ATOM 0 H3 MET A -20 70.903 32.376 -12.457 1.00 0.00 H new ATOM 0 HA MET A -20 72.065 29.953 -13.664 1.00 0.00 H new ATOM 0 HB2 MET A -20 72.645 31.436 -11.065 1.00 0.00 H new ATOM 0 HB3 MET A -20 73.468 29.988 -11.608 1.00 0.00 H new ATOM 0 HG2 MET A -20 74.371 31.185 -13.550 1.00 0.00 H new ATOM 0 HG3 MET A -20 73.479 32.627 -13.107 1.00 0.00 H new ATOM 0 HE1 MET A -20 77.144 33.709 -12.325 1.00 0.00 H new ATOM 0 HE2 MET A -20 76.565 32.702 -13.673 1.00 0.00 H new ATOM 0 HE3 MET A -20 75.624 34.120 -13.154 1.00 0.00 H new ATOM 20 N GLY A -19 70.611 28.411 -12.396 1.00 0.00 N ATOM 21 CA GLY A -19 69.861 27.447 -11.622 1.00 0.00 C ATOM 22 C GLY A -19 70.776 26.405 -11.026 1.00 0.00 C ATOM 23 O GLY A -19 70.645 26.030 -9.861 1.00 0.00 O ATOM 0 H GLY A -19 70.941 28.069 -13.299 1.00 0.00 H new ATOM 0 HA2 GLY A -19 69.318 27.957 -10.827 1.00 0.00 H new ATOM 0 HA3 GLY A -19 69.118 26.964 -12.257 1.00 0.00 H new ATOM 27 N SER A -18 71.714 25.946 -11.837 1.00 0.00 N ATOM 28 CA SER A -18 72.718 24.999 -11.400 1.00 0.00 C ATOM 29 C SER A -18 74.071 25.423 -11.959 1.00 0.00 C ATOM 30 O SER A -18 74.330 25.277 -13.153 1.00 0.00 O ATOM 31 CB SER A -18 72.353 23.589 -11.875 1.00 0.00 C ATOM 32 OG SER A -18 71.009 23.269 -11.537 1.00 0.00 O ATOM 0 H SER A -18 71.798 26.221 -12.816 1.00 0.00 H new ATOM 0 HA SER A -18 72.767 24.986 -10.311 1.00 0.00 H new ATOM 0 HB2 SER A -18 72.487 23.519 -12.955 1.00 0.00 H new ATOM 0 HB3 SER A -18 73.028 22.863 -11.423 1.00 0.00 H new ATOM 0 HG SER A -18 70.799 22.365 -11.852 1.00 0.00 H new ATOM 38 N SER A -17 74.915 25.977 -11.097 1.00 0.00 N ATOM 39 CA SER A -17 76.195 26.530 -11.520 1.00 0.00 C ATOM 40 C SER A -17 77.119 25.449 -12.075 1.00 0.00 C ATOM 41 O SER A -17 76.890 24.248 -11.880 1.00 0.00 O ATOM 42 CB SER A -17 76.872 27.242 -10.347 1.00 0.00 C ATOM 43 OG SER A -17 77.119 26.344 -9.278 1.00 0.00 O ATOM 0 H SER A -17 74.734 26.055 -10.096 1.00 0.00 H new ATOM 0 HA SER A -17 76.000 27.246 -12.318 1.00 0.00 H new ATOM 0 HB2 SER A -17 77.811 27.684 -10.679 1.00 0.00 H new ATOM 0 HB3 SER A -17 76.240 28.060 -10.000 1.00 0.00 H new ATOM 0 HG SER A -17 77.554 26.823 -8.542 1.00 0.00 H new ATOM 49 N HIS A -16 78.180 25.886 -12.743 1.00 0.00 N ATOM 50 CA HIS A -16 79.146 24.976 -13.346 1.00 0.00 C ATOM 51 C HIS A -16 79.958 24.291 -12.251 1.00 0.00 C ATOM 52 O HIS A -16 80.606 23.272 -12.479 1.00 0.00 O ATOM 53 CB HIS A -16 80.065 25.756 -14.293 1.00 0.00 C ATOM 54 CG HIS A -16 80.788 24.907 -15.294 1.00 0.00 C ATOM 55 ND1 HIS A -16 80.330 24.714 -16.577 1.00 0.00 N ATOM 56 CD2 HIS A -16 81.953 24.221 -15.206 1.00 0.00 C ATOM 57 CE1 HIS A -16 81.177 23.945 -17.233 1.00 0.00 C ATOM 58 NE2 HIS A -16 82.177 23.632 -16.427 1.00 0.00 N ATOM 0 H HIS A -16 78.394 26.874 -12.881 1.00 0.00 H new ATOM 0 HA HIS A -16 78.622 24.212 -13.920 1.00 0.00 H new ATOM 0 HB2 HIS A -16 79.471 26.498 -14.826 1.00 0.00 H new ATOM 0 HB3 HIS A -16 80.799 26.301 -13.700 1.00 0.00 H new ATOM 0 HD2 HIS A -16 82.589 24.150 -14.336 1.00 0.00 H new ATOM 0 HE1 HIS A -16 81.071 23.624 -18.259 1.00 0.00 H new ATOM 0 HE2 HIS A -16 82.979 23.051 -16.670 1.00 0.00 H new ATOM 67 N HIS A -15 79.909 24.870 -11.058 1.00 0.00 N ATOM 68 CA HIS A -15 80.568 24.298 -9.893 1.00 0.00 C ATOM 69 C HIS A -15 79.650 23.292 -9.202 1.00 0.00 C ATOM 70 O HIS A -15 80.115 22.290 -8.659 1.00 0.00 O ATOM 71 CB HIS A -15 80.982 25.409 -8.920 1.00 0.00 C ATOM 72 CG HIS A -15 81.536 24.914 -7.617 1.00 0.00 C ATOM 73 ND1 HIS A -15 82.743 24.258 -7.506 1.00 0.00 N ATOM 74 CD2 HIS A -15 81.035 24.985 -6.362 1.00 0.00 C ATOM 75 CE1 HIS A -15 82.959 23.946 -6.242 1.00 0.00 C ATOM 76 NE2 HIS A -15 81.937 24.375 -5.528 1.00 0.00 N ATOM 0 H HIS A -15 79.415 25.743 -10.872 1.00 0.00 H new ATOM 0 HA HIS A -15 81.465 23.773 -10.221 1.00 0.00 H new ATOM 0 HB2 HIS A -15 81.729 26.039 -9.403 1.00 0.00 H new ATOM 0 HB3 HIS A -15 80.116 26.039 -8.717 1.00 0.00 H new ATOM 0 HD1 HIS A -15 83.372 24.046 -8.281 1.00 0.00 H new ATOM 0 HD2 HIS A -15 80.099 25.438 -6.071 1.00 0.00 H new ATOM 0 HE1 HIS A -15 83.825 23.428 -5.858 1.00 0.00 H new ATOM 85 N HIS A -14 78.348 23.568 -9.217 1.00 0.00 N ATOM 86 CA HIS A -14 77.375 22.650 -8.637 1.00 0.00 C ATOM 87 C HIS A -14 77.328 21.362 -9.450 1.00 0.00 C ATOM 88 O HIS A -14 77.109 20.279 -8.908 1.00 0.00 O ATOM 89 CB HIS A -14 75.983 23.288 -8.563 1.00 0.00 C ATOM 90 CG HIS A -14 74.957 22.409 -7.911 1.00 0.00 C ATOM 91 ND1 HIS A -14 74.863 22.244 -6.547 1.00 0.00 N ATOM 92 CD2 HIS A -14 73.985 21.635 -8.446 1.00 0.00 C ATOM 93 CE1 HIS A -14 73.879 21.412 -6.271 1.00 0.00 C ATOM 94 NE2 HIS A -14 73.329 21.026 -7.407 1.00 0.00 N ATOM 0 H HIS A -14 77.946 24.414 -9.622 1.00 0.00 H new ATOM 0 HA HIS A -14 77.688 22.419 -7.619 1.00 0.00 H new ATOM 0 HB2 HIS A -14 76.050 24.226 -8.011 1.00 0.00 H new ATOM 0 HB3 HIS A -14 75.651 23.535 -9.571 1.00 0.00 H new ATOM 0 HD2 HIS A -14 73.766 21.518 -9.497 1.00 0.00 H new ATOM 0 HE1 HIS A -14 73.574 21.099 -5.283 1.00 0.00 H new ATOM 0 HE2 HIS A -14 72.544 20.380 -7.497 1.00 0.00 H new ATOM 103 N HIS A -13 77.519 21.488 -10.757 1.00 0.00 N ATOM 104 CA HIS A -13 77.703 20.319 -11.602 1.00 0.00 C ATOM 105 C HIS A -13 79.040 19.686 -11.252 1.00 0.00 C ATOM 106 O HIS A -13 80.061 20.372 -11.222 1.00 0.00 O ATOM 107 CB HIS A -13 77.674 20.688 -13.090 1.00 0.00 C ATOM 108 CG HIS A -13 76.341 21.166 -13.586 1.00 0.00 C ATOM 109 ND1 HIS A -13 75.212 20.376 -13.601 1.00 0.00 N ATOM 110 CD2 HIS A -13 75.966 22.359 -14.103 1.00 0.00 C ATOM 111 CE1 HIS A -13 74.205 21.060 -14.107 1.00 0.00 C ATOM 112 NE2 HIS A -13 74.633 22.268 -14.419 1.00 0.00 N ATOM 0 H HIS A -13 77.550 22.380 -11.250 1.00 0.00 H new ATOM 0 HA HIS A -13 76.886 19.620 -11.425 1.00 0.00 H new ATOM 0 HB2 HIS A -13 78.416 21.465 -13.273 1.00 0.00 H new ATOM 0 HB3 HIS A -13 77.974 19.817 -13.673 1.00 0.00 H new ATOM 0 HD2 HIS A -13 76.599 23.223 -14.242 1.00 0.00 H new ATOM 0 HE1 HIS A -13 73.198 20.693 -14.243 1.00 0.00 H new ATOM 0 HE2 HIS A -13 74.067 23.012 -14.828 1.00 0.00 H new ATOM 121 N HIS A -12 79.044 18.388 -10.977 1.00 0.00 N ATOM 122 CA HIS A -12 80.258 17.729 -10.508 1.00 0.00 C ATOM 123 C HIS A -12 81.235 17.464 -11.649 1.00 0.00 C ATOM 124 O HIS A -12 81.457 16.327 -12.061 1.00 0.00 O ATOM 125 CB HIS A -12 79.930 16.448 -9.734 1.00 0.00 C ATOM 126 CG HIS A -12 79.502 16.716 -8.320 1.00 0.00 C ATOM 127 ND1 HIS A -12 79.463 15.748 -7.341 1.00 0.00 N ATOM 128 CD2 HIS A -12 79.118 17.868 -7.718 1.00 0.00 C ATOM 129 CE1 HIS A -12 79.076 16.293 -6.201 1.00 0.00 C ATOM 130 NE2 HIS A -12 78.863 17.582 -6.401 1.00 0.00 N ATOM 0 H HIS A -12 78.233 17.777 -11.069 1.00 0.00 H new ATOM 0 HA HIS A -12 80.754 18.411 -9.818 1.00 0.00 H new ATOM 0 HB2 HIS A -12 79.137 15.908 -10.253 1.00 0.00 H new ATOM 0 HB3 HIS A -12 80.806 15.799 -9.727 1.00 0.00 H new ATOM 0 HD2 HIS A -12 79.029 18.835 -8.190 1.00 0.00 H new ATOM 0 HE1 HIS A -12 78.954 15.772 -5.263 1.00 0.00 H new ATOM 0 HE2 HIS A -12 78.560 18.252 -5.694 1.00 0.00 H new ATOM 139 N HIS A -11 81.765 18.558 -12.177 1.00 0.00 N ATOM 140 CA HIS A -11 82.842 18.543 -13.160 1.00 0.00 C ATOM 141 C HIS A -11 83.848 19.614 -12.761 1.00 0.00 C ATOM 142 O HIS A -11 84.694 20.030 -13.552 1.00 0.00 O ATOM 143 CB HIS A -11 82.318 18.848 -14.572 1.00 0.00 C ATOM 144 CG HIS A -11 81.412 17.802 -15.148 1.00 0.00 C ATOM 145 ND1 HIS A -11 81.836 16.859 -16.057 1.00 0.00 N ATOM 146 CD2 HIS A -11 80.092 17.570 -14.960 1.00 0.00 C ATOM 147 CE1 HIS A -11 80.819 16.094 -16.405 1.00 0.00 C ATOM 148 NE2 HIS A -11 79.749 16.504 -15.752 1.00 0.00 N ATOM 0 H HIS A -11 81.454 19.498 -11.931 1.00 0.00 H new ATOM 0 HA HIS A -11 83.297 17.553 -13.179 1.00 0.00 H new ATOM 0 HB2 HIS A -11 81.784 19.798 -14.548 1.00 0.00 H new ATOM 0 HB3 HIS A -11 83.170 18.978 -15.240 1.00 0.00 H new ATOM 0 HD2 HIS A -11 79.431 18.122 -14.308 1.00 0.00 H new ATOM 0 HE1 HIS A -11 80.856 15.272 -17.105 1.00 0.00 H new ATOM 0 HE2 HIS A -11 78.818 16.095 -15.824 1.00 0.00 H new ATOM 157 N SER A -10 83.746 20.039 -11.506 1.00 0.00 N ATOM 158 CA SER A -10 84.463 21.206 -11.018 1.00 0.00 C ATOM 159 C SER A -10 85.911 20.882 -10.647 1.00 0.00 C ATOM 160 O SER A -10 86.330 21.067 -9.503 1.00 0.00 O ATOM 161 CB SER A -10 83.719 21.801 -9.814 1.00 0.00 C ATOM 162 OG SER A -10 84.367 22.962 -9.318 1.00 0.00 O ATOM 0 H SER A -10 83.165 19.584 -10.802 1.00 0.00 H new ATOM 0 HA SER A -10 84.499 21.938 -11.825 1.00 0.00 H new ATOM 0 HB2 SER A -10 82.698 22.050 -10.104 1.00 0.00 H new ATOM 0 HB3 SER A -10 83.653 21.055 -9.022 1.00 0.00 H new ATOM 0 HG SER A -10 85.280 22.735 -9.044 1.00 0.00 H new ATOM 168 N SER A -9 86.674 20.399 -11.614 1.00 0.00 N ATOM 169 CA SER A -9 88.104 20.243 -11.434 1.00 0.00 C ATOM 170 C SER A -9 88.769 21.612 -11.522 1.00 0.00 C ATOM 171 O SER A -9 89.039 22.111 -12.616 1.00 0.00 O ATOM 172 CB SER A -9 88.681 19.293 -12.488 1.00 0.00 C ATOM 173 OG SER A -9 88.124 17.994 -12.369 1.00 0.00 O ATOM 0 H SER A -9 86.326 20.110 -12.528 1.00 0.00 H new ATOM 0 HA SER A -9 88.300 19.809 -10.454 1.00 0.00 H new ATOM 0 HB2 SER A -9 88.481 19.687 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A -9 89.764 19.238 -12.378 1.00 0.00 H new ATOM 0 HG SER A -9 88.509 17.409 -13.055 1.00 0.00 H new ATOM 179 N GLY A -8 88.987 22.237 -10.374 1.00 0.00 N ATOM 180 CA GLY A -8 89.524 23.581 -10.356 1.00 0.00 C ATOM 181 C GLY A -8 90.981 23.631 -9.954 1.00 0.00 C ATOM 182 O GLY A -8 91.866 23.377 -10.771 1.00 0.00 O ATOM 0 H GLY A -8 88.801 21.837 -9.454 1.00 0.00 H new ATOM 0 HA2 GLY A -8 89.411 24.025 -11.345 1.00 0.00 H new ATOM 0 HA3 GLY A -8 88.941 24.190 -9.665 1.00 0.00 H new ATOM 186 N LEU A -7 91.227 23.947 -8.691 1.00 0.00 N ATOM 187 CA LEU A -7 92.585 24.144 -8.198 1.00 0.00 C ATOM 188 C LEU A -7 93.071 22.925 -7.428 1.00 0.00 C ATOM 189 O LEU A -7 94.263 22.792 -7.147 1.00 0.00 O ATOM 190 CB LEU A -7 92.647 25.383 -7.300 1.00 0.00 C ATOM 191 CG LEU A -7 92.253 26.699 -7.974 1.00 0.00 C ATOM 192 CD1 LEU A -7 92.258 27.834 -6.963 1.00 0.00 C ATOM 193 CD2 LEU A -7 93.193 27.011 -9.131 1.00 0.00 C ATOM 0 H LEU A -7 90.501 24.073 -7.985 1.00 0.00 H new ATOM 0 HA LEU A -7 93.237 24.289 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A -7 91.993 25.223 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A -7 93.661 25.481 -6.914 1.00 0.00 H new ATOM 0 HG LEU A -7 91.244 26.594 -8.372 1.00 0.00 H new ATOM 0 HD11 LEU A -7 91.976 28.763 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU A -7 91.546 27.616 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A -7 93.256 27.938 -6.538 1.00 0.00 H new ATOM 0 HD21 LEU A -7 92.897 27.950 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A -7 94.213 27.097 -8.758 1.00 0.00 H new ATOM 0 HD23 LEU A -7 93.143 26.209 -9.867 1.00 0.00 H new ATOM 205 N VAL A -6 92.143 22.040 -7.086 1.00 0.00 N ATOM 206 CA VAL A -6 92.477 20.838 -6.334 1.00 0.00 C ATOM 207 C VAL A -6 93.350 19.894 -7.161 1.00 0.00 C ATOM 208 O VAL A -6 93.105 19.689 -8.354 1.00 0.00 O ATOM 209 CB VAL A -6 91.212 20.090 -5.851 1.00 0.00 C ATOM 210 CG1 VAL A -6 90.485 20.903 -4.790 1.00 0.00 C ATOM 211 CG2 VAL A -6 90.282 19.781 -7.016 1.00 0.00 C ATOM 0 H VAL A -6 91.154 22.132 -7.317 1.00 0.00 H new ATOM 0 HA VAL A -6 93.037 21.163 -5.457 1.00 0.00 H new ATOM 0 HB VAL A -6 91.526 19.144 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A -6 89.598 20.362 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A -6 91.147 21.065 -3.939 1.00 0.00 H new ATOM 0 HG13 VAL A -6 90.189 21.865 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A -6 89.401 19.255 -6.649 1.00 0.00 H new ATOM 0 HG22 VAL A -6 89.976 20.712 -7.494 1.00 0.00 H new ATOM 0 HG23 VAL A -6 90.802 19.155 -7.741 1.00 0.00 H new ATOM 221 N PRO A -5 94.400 19.337 -6.537 1.00 0.00 N ATOM 222 CA PRO A -5 95.315 18.399 -7.195 1.00 0.00 C ATOM 223 C PRO A -5 94.604 17.133 -7.660 1.00 0.00 C ATOM 224 O PRO A -5 94.086 16.360 -6.852 1.00 0.00 O ATOM 225 CB PRO A -5 96.348 18.066 -6.110 1.00 0.00 C ATOM 226 CG PRO A -5 96.230 19.169 -5.115 1.00 0.00 C ATOM 227 CD PRO A -5 94.791 19.591 -5.142 1.00 0.00 C ATOM 0 HA PRO A -5 95.756 18.830 -8.094 1.00 0.00 H new ATOM 0 HB2 PRO A -5 96.142 17.098 -5.653 1.00 0.00 H new ATOM 0 HB3 PRO A -5 97.354 18.015 -6.525 1.00 0.00 H new ATOM 0 HG2 PRO A -5 96.520 18.831 -4.120 1.00 0.00 H new ATOM 0 HG3 PRO A -5 96.886 20.000 -5.373 1.00 0.00 H new ATOM 0 HD2 PRO A -5 94.187 19.013 -4.442 1.00 0.00 H new ATOM 0 HD3 PRO A -5 94.673 20.641 -4.874 1.00 0.00 H new ATOM 235 N ARG A -4 94.576 16.938 -8.971 1.00 0.00 N ATOM 236 CA ARG A -4 93.925 15.782 -9.567 1.00 0.00 C ATOM 237 C ARG A -4 94.823 14.554 -9.456 1.00 0.00 C ATOM 238 O ARG A -4 94.373 13.417 -9.617 1.00 0.00 O ATOM 239 CB ARG A -4 93.605 16.079 -11.033 1.00 0.00 C ATOM 240 CG ARG A -4 92.603 15.126 -11.663 1.00 0.00 C ATOM 241 CD ARG A -4 92.299 15.528 -13.098 1.00 0.00 C ATOM 242 NE ARG A -4 91.872 16.927 -13.190 1.00 0.00 N ATOM 243 CZ ARG A -4 92.471 17.838 -13.964 1.00 0.00 C ATOM 244 NH1 ARG A -4 93.490 17.487 -14.737 1.00 0.00 N ATOM 245 NH2 ARG A -4 92.055 19.100 -13.961 1.00 0.00 N ATOM 0 H ARG A -4 95.001 17.573 -9.647 1.00 0.00 H new ATOM 0 HA ARG A -4 92.997 15.576 -9.033 1.00 0.00 H new ATOM 0 HB2 ARG A -4 93.219 17.095 -11.109 1.00 0.00 H new ATOM 0 HB3 ARG A -4 94.530 16.046 -11.608 1.00 0.00 H new ATOM 0 HG2 ARG A -4 92.998 14.110 -11.642 1.00 0.00 H new ATOM 0 HG3 ARG A -4 91.682 15.122 -11.079 1.00 0.00 H new ATOM 0 HD2 ARG A -4 93.186 15.377 -13.714 1.00 0.00 H new ATOM 0 HD3 ARG A -4 91.518 14.882 -13.499 1.00 0.00 H new ATOM 0 HE ARG A -4 91.072 17.223 -12.631 1.00 0.00 H new ATOM 0 HH11 ARG A -4 93.818 16.521 -14.742 1.00 0.00 H new ATOM 0 HH12 ARG A -4 93.946 18.183 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A -4 91.275 19.378 -13.366 1.00 0.00 H new ATOM 0 HH22 ARG A -4 92.516 19.790 -14.554 1.00 0.00 H new ATOM 259 N GLY A -3 96.096 14.792 -9.176 1.00 0.00 N ATOM 260 CA GLY A -3 97.042 13.707 -9.025 1.00 0.00 C ATOM 261 C GLY A -3 97.090 13.185 -7.603 1.00 0.00 C ATOM 262 O GLY A -3 97.617 13.847 -6.707 1.00 0.00 O ATOM 0 H GLY A -3 96.492 15.724 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A -3 96.772 12.895 -9.700 1.00 0.00 H new ATOM 0 HA3 GLY A -3 98.034 14.049 -9.319 1.00 0.00 H new ATOM 266 N SER A -2 96.521 12.008 -7.393 1.00 0.00 N ATOM 267 CA SER A -2 96.533 11.371 -6.085 1.00 0.00 C ATOM 268 C SER A -2 97.963 11.036 -5.665 1.00 0.00 C ATOM 269 O SER A -2 98.623 10.211 -6.294 1.00 0.00 O ATOM 270 CB SER A -2 95.670 10.108 -6.125 1.00 0.00 C ATOM 271 OG SER A -2 95.957 9.336 -7.281 1.00 0.00 O ATOM 0 H SER A -2 96.042 11.472 -8.117 1.00 0.00 H new ATOM 0 HA SER A -2 96.120 12.059 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A -2 95.849 9.512 -5.230 1.00 0.00 H new ATOM 0 HB3 SER A -2 94.615 10.383 -6.119 1.00 0.00 H new ATOM 0 HG SER A -2 96.926 9.311 -7.425 1.00 0.00 H new ATOM 277 N HIS A -1 98.437 11.690 -4.607 1.00 0.00 N ATOM 278 CA HIS A -1 99.808 11.504 -4.137 1.00 0.00 C ATOM 279 C HIS A -1 99.987 10.132 -3.497 1.00 0.00 C ATOM 280 O HIS A -1 101.100 9.613 -3.414 1.00 0.00 O ATOM 281 CB HIS A -1 100.196 12.609 -3.153 1.00 0.00 C ATOM 282 CG HIS A -1 100.283 13.966 -3.784 1.00 0.00 C ATOM 283 ND1 HIS A -1 100.061 15.140 -3.097 1.00 0.00 N ATOM 284 CD2 HIS A -1 100.571 14.329 -5.055 1.00 0.00 C ATOM 285 CE1 HIS A -1 100.206 16.161 -3.920 1.00 0.00 C ATOM 286 NE2 HIS A -1 100.516 15.698 -5.116 1.00 0.00 N ATOM 0 H HIS A -1 97.891 12.354 -4.058 1.00 0.00 H new ATOM 0 HA HIS A -1 100.469 11.563 -5.001 1.00 0.00 H new ATOM 0 HB2 HIS A -1 99.465 12.639 -2.345 1.00 0.00 H new ATOM 0 HB3 HIS A -1 101.158 12.363 -2.704 1.00 0.00 H new ATOM 0 HD2 HIS A -1 100.802 13.662 -5.873 1.00 0.00 H new ATOM 0 HE1 HIS A -1 100.090 17.202 -3.658 1.00 0.00 H new ATOM 0 HE2 HIS A -1 100.686 16.264 -5.947 1.00 0.00 H new ATOM 295 N MET A 0 98.888 9.556 -3.041 1.00 0.00 N ATOM 296 CA MET A 0 98.885 8.191 -2.546 1.00 0.00 C ATOM 297 C MET A 0 97.639 7.499 -3.075 1.00 0.00 C ATOM 298 O MET A 0 96.542 8.057 -3.013 1.00 0.00 O ATOM 299 CB MET A 0 98.933 8.165 -1.013 1.00 0.00 C ATOM 300 CG MET A 0 99.343 6.817 -0.434 1.00 0.00 C ATOM 301 SD MET A 0 98.017 5.599 -0.443 1.00 0.00 S ATOM 302 CE MET A 0 96.906 6.317 0.761 1.00 0.00 C ATOM 0 H MET A 0 97.979 10.018 -3.004 1.00 0.00 H new ATOM 0 HA MET A 0 99.772 7.663 -2.896 1.00 0.00 H new ATOM 0 HB2 MET A 0 99.633 8.926 -0.668 1.00 0.00 H new ATOM 0 HB3 MET A 0 97.951 8.434 -0.623 1.00 0.00 H new ATOM 0 HG2 MET A 0 100.187 6.428 -1.003 1.00 0.00 H new ATOM 0 HG3 MET A 0 99.688 6.960 0.590 1.00 0.00 H new ATOM 0 HE1 MET A 0 96.290 5.533 1.201 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.485 6.806 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 0 96.265 7.051 0.272 1.00 0.00 H new ATOM 312 N MET A 1 97.807 6.306 -3.617 1.00 0.00 N ATOM 313 CA MET A 1 96.735 5.658 -4.356 1.00 0.00 C ATOM 314 C MET A 1 96.203 4.420 -3.647 1.00 0.00 C ATOM 315 O MET A 1 96.483 3.294 -4.055 1.00 0.00 O ATOM 316 CB MET A 1 97.210 5.280 -5.762 1.00 0.00 C ATOM 317 CG MET A 1 97.674 6.465 -6.591 1.00 0.00 C ATOM 318 SD MET A 1 98.267 5.985 -8.226 1.00 0.00 S ATOM 319 CE MET A 1 96.790 5.255 -8.929 1.00 0.00 C ATOM 0 H MET A 1 98.671 5.767 -3.561 1.00 0.00 H new ATOM 0 HA MET A 1 95.918 6.377 -4.421 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.028 4.564 -5.679 1.00 0.00 H new ATOM 0 HB3 MET A 1 96.398 4.777 -6.287 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.850 7.170 -6.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 98.470 6.985 -6.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 96.919 5.138 -10.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 96.616 4.279 -8.476 1.00 0.00 H new ATOM 0 HE3 MET A 1 95.936 5.903 -8.734 1.00 0.00 H new ATOM 329 N PHE A 2 95.451 4.622 -2.581 1.00 0.00 N ATOM 330 CA PHE A 2 94.700 3.533 -1.982 1.00 0.00 C ATOM 331 C PHE A 2 93.255 3.643 -2.441 1.00 0.00 C ATOM 332 O PHE A 2 92.496 4.478 -1.951 1.00 0.00 O ATOM 333 CB PHE A 2 94.788 3.558 -0.452 1.00 0.00 C ATOM 334 CG PHE A 2 94.178 2.349 0.206 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.939 1.214 0.428 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.847 2.344 0.599 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.388 0.098 1.027 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.290 1.229 1.200 1.00 0.00 C ATOM 339 CZ PHE A 2 93.064 0.106 1.413 1.00 0.00 C ATOM 0 H PHE A 2 95.344 5.523 -2.115 1.00 0.00 H new ATOM 0 HA PHE A 2 95.126 2.583 -2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.835 3.632 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.289 4.454 -0.082 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.977 1.201 0.129 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.239 3.221 0.434 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.994 -0.781 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.253 1.237 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.633 -0.766 1.882 1.00 0.00 H new ATOM 349 N LYS A 3 92.892 2.824 -3.408 1.00 0.00 N ATOM 350 CA LYS A 3 91.593 2.939 -4.045 1.00 0.00 C ATOM 351 C LYS A 3 90.585 1.984 -3.430 1.00 0.00 C ATOM 352 O LYS A 3 90.684 0.770 -3.592 1.00 0.00 O ATOM 353 CB LYS A 3 91.706 2.690 -5.549 1.00 0.00 C ATOM 354 CG LYS A 3 92.431 3.799 -6.290 1.00 0.00 C ATOM 355 CD LYS A 3 92.457 3.548 -7.787 1.00 0.00 C ATOM 356 CE LYS A 3 92.991 4.754 -8.538 1.00 0.00 C ATOM 357 NZ LYS A 3 92.089 5.931 -8.415 1.00 0.00 N ATOM 0 H LYS A 3 93.477 2.071 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 3 91.237 3.956 -3.882 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.230 1.749 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.706 2.577 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 3 91.942 4.752 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 3 93.452 3.880 -5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 3 93.078 2.679 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.451 3.315 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 3 93.978 5.012 -8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 3 93.114 4.500 -9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 92.300 6.611 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 91.100 5.620 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 92.236 6.386 -7.492 1.00 0.00 H new ATOM 371 N LEU A 4 89.634 2.550 -2.712 1.00 0.00 N ATOM 372 CA LEU A 4 88.527 1.789 -2.167 1.00 0.00 C ATOM 373 C LEU A 4 87.369 1.854 -3.157 1.00 0.00 C ATOM 374 O LEU A 4 86.789 2.922 -3.366 1.00 0.00 O ATOM 375 CB LEU A 4 88.114 2.373 -0.807 1.00 0.00 C ATOM 376 CG LEU A 4 87.543 1.376 0.209 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.279 2.068 1.537 1.00 0.00 C ATOM 378 CD2 LEU A 4 86.270 0.729 -0.311 1.00 0.00 C ATOM 0 H LEU A 4 89.607 3.545 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 4 88.817 0.750 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 4 88.984 2.856 -0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.371 3.151 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 4 88.282 0.590 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 4 86.874 1.348 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.212 2.477 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 4 86.562 2.876 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 4 85.889 0.027 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 4 85.522 1.499 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 4 86.485 0.196 -1.237 1.00 0.00 H new ATOM 390 N THR A 5 87.056 0.728 -3.786 1.00 0.00 N ATOM 391 CA THR A 5 86.018 0.695 -4.805 1.00 0.00 C ATOM 392 C THR A 5 84.649 1.020 -4.207 1.00 0.00 C ATOM 393 O THR A 5 84.327 0.577 -3.103 1.00 0.00 O ATOM 394 CB THR A 5 85.970 -0.674 -5.518 1.00 0.00 C ATOM 395 OG1 THR A 5 85.841 -1.734 -4.560 1.00 0.00 O ATOM 396 CG2 THR A 5 87.224 -0.892 -6.353 1.00 0.00 C ATOM 0 H THR A 5 87.505 -0.171 -3.608 1.00 0.00 H new ATOM 0 HA THR A 5 86.268 1.458 -5.543 1.00 0.00 H new ATOM 0 HB THR A 5 85.102 -0.679 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 5 85.964 -2.597 -5.008 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.169 -1.862 -6.846 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.301 -0.107 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.101 -0.863 -5.707 1.00 0.00 H new ATOM 404 N PRO A 6 83.832 1.814 -4.926 1.00 0.00 N ATOM 405 CA PRO A 6 82.487 2.199 -4.472 1.00 0.00 C ATOM 406 C PRO A 6 81.620 0.988 -4.140 1.00 0.00 C ATOM 407 O PRO A 6 80.728 1.059 -3.293 1.00 0.00 O ATOM 408 CB PRO A 6 81.908 2.959 -5.670 1.00 0.00 C ATOM 409 CG PRO A 6 83.097 3.458 -6.413 1.00 0.00 C ATOM 410 CD PRO A 6 84.166 2.416 -6.230 1.00 0.00 C ATOM 0 HA PRO A 6 82.520 2.787 -3.555 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.296 2.307 -6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.270 3.781 -5.346 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.866 3.599 -7.469 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.423 4.423 -6.026 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.149 1.677 -7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 6 85.162 2.858 -6.226 1.00 0.00 H new ATOM 418 N ALA A 7 81.901 -0.124 -4.805 1.00 0.00 N ATOM 419 CA ALA A 7 81.188 -1.366 -4.557 1.00 0.00 C ATOM 420 C ALA A 7 81.524 -1.914 -3.173 1.00 0.00 C ATOM 421 O ALA A 7 80.645 -2.379 -2.448 1.00 0.00 O ATOM 422 CB ALA A 7 81.526 -2.387 -5.632 1.00 0.00 C ATOM 0 H ALA A 7 82.622 -0.190 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 7 80.117 -1.164 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.986 -3.314 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.236 -1.997 -6.608 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.598 -2.583 -5.624 1.00 0.00 H new ATOM 428 N ALA A 8 82.799 -1.832 -2.805 1.00 0.00 N ATOM 429 CA ALA A 8 83.257 -2.321 -1.511 1.00 0.00 C ATOM 430 C ALA A 8 82.928 -1.324 -0.408 1.00 0.00 C ATOM 431 O ALA A 8 82.671 -1.709 0.733 1.00 0.00 O ATOM 432 CB ALA A 8 84.753 -2.598 -1.548 1.00 0.00 C ATOM 0 H ALA A 8 83.534 -1.430 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 8 82.735 -3.253 -1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.080 -2.963 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 8 84.965 -3.351 -2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.287 -1.679 -1.789 1.00 0.00 H new ATOM 438 N ALA A 9 82.932 -0.041 -0.761 1.00 0.00 N ATOM 439 CA ALA A 9 82.610 1.024 0.184 1.00 0.00 C ATOM 440 C ALA A 9 81.222 0.826 0.781 1.00 0.00 C ATOM 441 O ALA A 9 80.989 1.124 1.953 1.00 0.00 O ATOM 442 CB ALA A 9 82.707 2.384 -0.496 1.00 0.00 C ATOM 0 H ALA A 9 83.156 0.287 -1.700 1.00 0.00 H new ATOM 0 HA ALA A 9 83.335 0.986 0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 9 82.464 3.168 0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 9 83.721 2.534 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.006 2.425 -1.329 1.00 0.00 H new ATOM 448 N GLU A 10 80.309 0.305 -0.031 1.00 0.00 N ATOM 449 CA GLU A 10 78.950 0.035 0.414 1.00 0.00 C ATOM 450 C GLU A 10 78.933 -1.080 1.458 1.00 0.00 C ATOM 451 O GLU A 10 78.206 -1.001 2.450 1.00 0.00 O ATOM 452 CB GLU A 10 78.070 -0.339 -0.778 1.00 0.00 C ATOM 453 CG GLU A 10 76.630 -0.638 -0.399 1.00 0.00 C ATOM 454 CD GLU A 10 75.759 -0.908 -1.604 1.00 0.00 C ATOM 455 OE1 GLU A 10 75.917 -1.973 -2.235 1.00 0.00 O ATOM 456 OE2 GLU A 10 74.904 -0.055 -1.926 1.00 0.00 O ATOM 0 H GLU A 10 80.488 0.061 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 10 78.553 0.939 0.875 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.085 0.477 -1.501 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.495 -1.212 -1.274 1.00 0.00 H new ATOM 0 HG2 GLU A 10 76.604 -1.502 0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 10 76.222 0.205 0.159 1.00 0.00 H new ATOM 463 N GLN A 11 79.747 -2.111 1.242 1.00 0.00 N ATOM 464 CA GLN A 11 79.840 -3.217 2.190 1.00 0.00 C ATOM 465 C GLN A 11 80.390 -2.714 3.519 1.00 0.00 C ATOM 466 O GLN A 11 79.917 -3.108 4.587 1.00 0.00 O ATOM 467 CB GLN A 11 80.728 -4.339 1.640 1.00 0.00 C ATOM 468 CG GLN A 11 80.762 -5.575 2.531 1.00 0.00 C ATOM 469 CD GLN A 11 81.672 -6.663 1.993 1.00 0.00 C ATOM 470 OE1 GLN A 11 81.862 -6.788 0.787 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.232 -7.467 2.886 1.00 0.00 N ATOM 0 H GLN A 11 80.348 -2.203 0.423 1.00 0.00 H new ATOM 0 HA GLN A 11 78.840 -3.623 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.371 -4.623 0.650 1.00 0.00 H new ATOM 0 HB3 GLN A 11 81.743 -3.961 1.516 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.096 -5.289 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.752 -5.971 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 11 82.049 -7.331 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.845 -8.222 2.579 1.00 0.00 H new ATOM 480 N VAL A 12 81.383 -1.833 3.441 1.00 0.00 N ATOM 481 CA VAL A 12 81.953 -1.205 4.629 1.00 0.00 C ATOM 482 C VAL A 12 80.882 -0.410 5.371 1.00 0.00 C ATOM 483 O VAL A 12 80.741 -0.525 6.588 1.00 0.00 O ATOM 484 CB VAL A 12 83.125 -0.263 4.268 1.00 0.00 C ATOM 485 CG1 VAL A 12 83.705 0.385 5.516 1.00 0.00 C ATOM 486 CG2 VAL A 12 84.206 -1.016 3.510 1.00 0.00 C ATOM 0 H VAL A 12 81.811 -1.537 2.564 1.00 0.00 H new ATOM 0 HA VAL A 12 82.334 -2.002 5.268 1.00 0.00 H new ATOM 0 HB VAL A 12 82.736 0.525 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 12 84.528 1.043 5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 12 82.931 0.966 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 12 84.073 -0.389 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.021 -0.335 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 12 84.586 -1.829 4.129 1.00 0.00 H new ATOM 0 HG23 VAL A 12 83.788 -1.425 2.591 1.00 0.00 H new ATOM 496 N LEU A 13 80.121 0.377 4.617 1.00 0.00 N ATOM 497 CA LEU A 13 79.043 1.187 5.175 1.00 0.00 C ATOM 498 C LEU A 13 78.023 0.312 5.897 1.00 0.00 C ATOM 499 O LEU A 13 77.626 0.604 7.025 1.00 0.00 O ATOM 500 CB LEU A 13 78.355 1.981 4.059 1.00 0.00 C ATOM 501 CG LEU A 13 77.196 2.875 4.506 1.00 0.00 C ATOM 502 CD1 LEU A 13 77.693 3.981 5.424 1.00 0.00 C ATOM 503 CD2 LEU A 13 76.484 3.464 3.296 1.00 0.00 C ATOM 0 H LEU A 13 80.233 0.471 3.608 1.00 0.00 H new ATOM 0 HA LEU A 13 79.473 1.880 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 13 79.102 2.603 3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 13 77.983 1.279 3.313 1.00 0.00 H new ATOM 0 HG LEU A 13 76.486 2.264 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 13 76.853 4.605 5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 13 78.158 3.540 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 13 78.425 4.592 4.895 1.00 0.00 H new ATOM 0 HD21 LEU A 13 75.662 4.097 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 13 77.188 4.059 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 13 76.092 2.658 2.676 1.00 0.00 H new ATOM 515 N LYS A 14 77.611 -0.768 5.243 1.00 0.00 N ATOM 516 CA LYS A 14 76.620 -1.677 5.804 1.00 0.00 C ATOM 517 C LYS A 14 77.168 -2.359 7.058 1.00 0.00 C ATOM 518 O LYS A 14 76.468 -2.484 8.065 1.00 0.00 O ATOM 519 CB LYS A 14 76.210 -2.710 4.750 1.00 0.00 C ATOM 520 CG LYS A 14 75.026 -3.579 5.149 1.00 0.00 C ATOM 521 CD LYS A 14 74.477 -4.338 3.950 1.00 0.00 C ATOM 522 CE LYS A 14 73.242 -5.152 4.304 1.00 0.00 C ATOM 523 NZ LYS A 14 73.564 -6.329 5.152 1.00 0.00 N ATOM 0 H LYS A 14 77.950 -1.036 4.319 1.00 0.00 H new ATOM 0 HA LYS A 14 75.737 -1.108 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 14 75.967 -2.189 3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.063 -3.354 4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.332 -4.285 5.921 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.242 -2.956 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 14 74.230 -3.632 3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.248 -5.002 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 14 72.528 -4.515 4.827 1.00 0.00 H new ATOM 0 HE3 LYS A 14 72.757 -5.489 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 72.691 -6.852 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.225 -6.952 4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 74.002 -6.008 6.039 1.00 0.00 H new ATOM 537 N ALA A 15 78.428 -2.778 6.997 1.00 0.00 N ATOM 538 CA ALA A 15 79.079 -3.426 8.131 1.00 0.00 C ATOM 539 C ALA A 15 79.211 -2.468 9.311 1.00 0.00 C ATOM 540 O ALA A 15 79.076 -2.869 10.468 1.00 0.00 O ATOM 541 CB ALA A 15 80.445 -3.960 7.725 1.00 0.00 C ATOM 0 H ALA A 15 79.020 -2.680 6.172 1.00 0.00 H new ATOM 0 HA ALA A 15 78.455 -4.263 8.445 1.00 0.00 H new ATOM 0 HB1 ALA A 15 80.917 -4.440 8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 15 80.327 -4.687 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.070 -3.136 7.381 1.00 0.00 H new ATOM 547 N ALA A 16 79.473 -1.201 9.015 1.00 0.00 N ATOM 548 CA ALA A 16 79.573 -0.181 10.048 1.00 0.00 C ATOM 549 C ALA A 16 78.202 0.128 10.633 1.00 0.00 C ATOM 550 O ALA A 16 78.062 0.376 11.832 1.00 0.00 O ATOM 551 CB ALA A 16 80.210 1.083 9.488 1.00 0.00 C ATOM 0 H ALA A 16 79.620 -0.856 8.066 1.00 0.00 H new ATOM 0 HA ALA A 16 80.208 -0.564 10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.277 1.835 10.274 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.210 0.854 9.119 1.00 0.00 H new ATOM 0 HB3 ALA A 16 79.600 1.466 8.670 1.00 0.00 H new ATOM 557 N LYS A 17 77.188 0.089 9.778 1.00 0.00 N ATOM 558 CA LYS A 17 75.819 0.376 10.188 1.00 0.00 C ATOM 559 C LYS A 17 75.284 -0.712 11.118 1.00 0.00 C ATOM 560 O LYS A 17 74.355 -0.476 11.893 1.00 0.00 O ATOM 561 CB LYS A 17 74.922 0.524 8.954 1.00 0.00 C ATOM 562 CG LYS A 17 73.489 0.910 9.277 1.00 0.00 C ATOM 563 CD LYS A 17 72.743 1.364 8.035 1.00 0.00 C ATOM 564 CE LYS A 17 71.313 1.757 8.360 1.00 0.00 C ATOM 565 NZ LYS A 17 70.690 2.526 7.253 1.00 0.00 N ATOM 0 H LYS A 17 77.289 -0.140 8.789 1.00 0.00 H new ATOM 0 HA LYS A 17 75.815 1.316 10.741 1.00 0.00 H new ATOM 0 HB2 LYS A 17 75.351 1.278 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 17 74.919 -0.417 8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 17 72.973 0.059 9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.484 1.709 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 17 73.262 2.211 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 17 72.743 0.563 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 17 70.725 0.861 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 17 71.298 2.354 9.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.714 2.777 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.237 3.394 7.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 70.682 1.947 6.389 1.00 0.00 H new ATOM 579 N GLN A 18 75.881 -1.900 11.047 1.00 0.00 N ATOM 580 CA GLN A 18 75.513 -3.000 11.941 1.00 0.00 C ATOM 581 C GLN A 18 75.746 -2.616 13.402 1.00 0.00 C ATOM 582 O GLN A 18 75.069 -3.118 14.303 1.00 0.00 O ATOM 583 CB GLN A 18 76.318 -4.258 11.615 1.00 0.00 C ATOM 584 CG GLN A 18 76.200 -4.710 10.171 1.00 0.00 C ATOM 585 CD GLN A 18 74.771 -4.994 9.757 1.00 0.00 C ATOM 586 OE1 GLN A 18 73.944 -5.423 10.564 1.00 0.00 O ATOM 587 NE2 GLN A 18 74.467 -4.746 8.496 1.00 0.00 N ATOM 0 H GLN A 18 76.620 -2.127 10.382 1.00 0.00 H new ATOM 0 HA GLN A 18 74.453 -3.204 11.790 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.368 -4.074 11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 18 75.988 -5.067 12.266 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.616 -3.941 9.520 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.800 -5.608 10.027 1.00 0.00 H new ATOM 0 HE21 GLN A 18 75.181 -4.391 7.860 1.00 0.00 H new ATOM 0 HE22 GLN A 18 73.518 -4.909 8.159 1.00 0.00 H new ATOM 596 N GLY A 19 76.710 -1.732 13.631 1.00 0.00 N ATOM 597 CA GLY A 19 77.010 -1.288 14.977 1.00 0.00 C ATOM 598 C GLY A 19 78.476 -1.451 15.317 1.00 0.00 C ATOM 599 O GLY A 19 79.207 -2.141 14.605 1.00 0.00 O ATOM 0 H GLY A 19 77.291 -1.314 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.728 -0.241 15.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 76.408 -1.855 15.688 1.00 0.00 H new ATOM 603 N GLY A 20 78.914 -0.802 16.386 1.00 0.00 N ATOM 604 CA GLY A 20 80.290 -0.924 16.828 1.00 0.00 C ATOM 605 C GLY A 20 81.229 -0.012 16.065 1.00 0.00 C ATOM 606 O GLY A 20 81.915 0.821 16.651 1.00 0.00 O ATOM 0 H GLY A 20 78.336 -0.188 16.960 1.00 0.00 H new ATOM 0 HA2 GLY A 20 80.348 -0.692 17.891 1.00 0.00 H new ATOM 0 HA3 GLY A 20 80.616 -1.957 16.709 1.00 0.00 H new ATOM 610 N THR A 21 81.245 -0.162 14.751 1.00 0.00 N ATOM 611 CA THR A 21 82.138 0.607 13.905 1.00 0.00 C ATOM 612 C THR A 21 81.423 1.822 13.314 1.00 0.00 C ATOM 613 O THR A 21 81.971 2.542 12.475 1.00 0.00 O ATOM 614 CB THR A 21 82.705 -0.275 12.780 1.00 0.00 C ATOM 615 OG1 THR A 21 81.634 -0.924 12.086 1.00 0.00 O ATOM 616 CG2 THR A 21 83.649 -1.325 13.345 1.00 0.00 C ATOM 0 H THR A 21 80.645 -0.814 14.246 1.00 0.00 H new ATOM 0 HA THR A 21 82.963 0.963 14.522 1.00 0.00 H new ATOM 0 HB THR A 21 83.259 0.361 12.090 1.00 0.00 H new ATOM 0 HG1 THR A 21 81.989 -1.393 11.302 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.039 -1.938 12.533 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.476 -0.833 13.857 1.00 0.00 H new ATOM 0 HG23 THR A 21 83.110 -1.957 14.050 1.00 0.00 H new ATOM 624 N GLU A 22 80.202 2.051 13.775 1.00 0.00 N ATOM 625 CA GLU A 22 79.408 3.183 13.326 1.00 0.00 C ATOM 626 C GLU A 22 79.977 4.489 13.870 1.00 0.00 C ATOM 627 O GLU A 22 80.010 4.706 15.081 1.00 0.00 O ATOM 628 CB GLU A 22 77.956 3.014 13.773 1.00 0.00 C ATOM 629 CG GLU A 22 77.072 4.206 13.451 1.00 0.00 C ATOM 630 CD GLU A 22 75.643 3.997 13.892 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.332 4.265 15.074 1.00 0.00 O ATOM 632 OE2 GLU A 22 74.827 3.552 13.066 1.00 0.00 O ATOM 0 H GLU A 22 79.737 1.462 14.466 1.00 0.00 H new ATOM 0 HA GLU A 22 79.443 3.220 12.237 1.00 0.00 H new ATOM 0 HB2 GLU A 22 77.540 2.126 13.297 1.00 0.00 H new ATOM 0 HB3 GLU A 22 77.935 2.838 14.849 1.00 0.00 H new ATOM 0 HG2 GLU A 22 77.473 5.095 13.938 1.00 0.00 H new ATOM 0 HG3 GLU A 22 77.095 4.393 12.377 1.00 0.00 H new ATOM 639 N GLY A 23 80.435 5.347 12.968 1.00 0.00 N ATOM 640 CA GLY A 23 81.001 6.619 13.374 1.00 0.00 C ATOM 641 C GLY A 23 82.502 6.540 13.538 1.00 0.00 C ATOM 642 O GLY A 23 83.147 7.511 13.935 1.00 0.00 O ATOM 0 H GLY A 23 80.425 5.185 11.961 1.00 0.00 H new ATOM 0 HA2 GLY A 23 80.756 7.379 12.632 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.549 6.934 14.314 1.00 0.00 H new ATOM 646 N MET A 24 83.056 5.377 13.232 1.00 0.00 N ATOM 647 CA MET A 24 84.489 5.159 13.344 1.00 0.00 C ATOM 648 C MET A 24 85.193 5.565 12.057 1.00 0.00 C ATOM 649 O MET A 24 84.546 5.868 11.051 1.00 0.00 O ATOM 650 CB MET A 24 84.777 3.689 13.661 1.00 0.00 C ATOM 651 CG MET A 24 84.207 3.227 14.995 1.00 0.00 C ATOM 652 SD MET A 24 85.061 3.949 16.408 1.00 0.00 S ATOM 653 CE MET A 24 86.691 3.244 16.190 1.00 0.00 C ATOM 0 H MET A 24 82.532 4.566 12.903 1.00 0.00 H new ATOM 0 HA MET A 24 84.870 5.777 14.157 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.366 3.068 12.866 1.00 0.00 H new ATOM 0 HB3 MET A 24 85.856 3.532 13.663 1.00 0.00 H new ATOM 0 HG2 MET A 24 83.150 3.488 15.043 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.270 2.140 15.055 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.357 3.620 16.967 1.00 0.00 H new ATOM 0 HE2 MET A 24 86.630 2.158 16.259 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.080 3.524 15.211 1.00 0.00 H new ATOM 663 N CYS A 25 86.513 5.575 12.092 1.00 0.00 N ATOM 664 CA CYS A 25 87.305 5.917 10.925 1.00 0.00 C ATOM 665 C CYS A 25 88.114 4.706 10.487 1.00 0.00 C ATOM 666 O CYS A 25 88.494 3.877 11.315 1.00 0.00 O ATOM 667 CB CYS A 25 88.233 7.095 11.243 1.00 0.00 C ATOM 668 SG CYS A 25 89.222 7.678 9.845 1.00 0.00 S ATOM 0 H CYS A 25 87.062 5.349 12.921 1.00 0.00 H new ATOM 0 HA CYS A 25 86.641 6.213 10.113 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.631 7.924 11.615 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.906 6.802 12.049 1.00 0.00 H new ATOM 0 HG CYS A 25 88.753 7.175 8.742 1.00 0.00 H new ATOM 674 N LEU A 26 88.361 4.584 9.194 1.00 0.00 N ATOM 675 CA LEU A 26 89.139 3.471 8.689 1.00 0.00 C ATOM 676 C LEU A 26 90.622 3.775 8.836 1.00 0.00 C ATOM 677 O LEU A 26 91.116 4.781 8.326 1.00 0.00 O ATOM 678 CB LEU A 26 88.795 3.181 7.226 1.00 0.00 C ATOM 679 CG LEU A 26 89.358 1.866 6.682 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.801 0.687 7.465 1.00 0.00 C ATOM 681 CD2 LEU A 26 89.044 1.717 5.202 1.00 0.00 C ATOM 0 H LEU A 26 88.036 5.237 8.481 1.00 0.00 H new ATOM 0 HA LEU A 26 88.896 2.583 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.710 3.168 7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 26 89.166 4.001 6.611 1.00 0.00 H new ATOM 0 HG LEU A 26 90.441 1.882 6.801 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.211 -0.241 7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.078 0.784 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.715 0.672 7.376 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.453 0.775 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.964 1.724 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.489 2.545 4.650 1.00 0.00 H new ATOM 693 N ARG A 27 91.323 2.918 9.552 1.00 0.00 N ATOM 694 CA ARG A 27 92.734 3.120 9.799 1.00 0.00 C ATOM 695 C ARG A 27 93.531 1.938 9.272 1.00 0.00 C ATOM 696 O ARG A 27 93.171 0.779 9.494 1.00 0.00 O ATOM 697 CB ARG A 27 92.983 3.329 11.291 1.00 0.00 C ATOM 698 CG ARG A 27 94.416 3.702 11.627 1.00 0.00 C ATOM 699 CD ARG A 27 94.513 4.305 13.019 1.00 0.00 C ATOM 700 NE ARG A 27 95.864 4.770 13.328 1.00 0.00 N ATOM 701 CZ ARG A 27 96.443 5.828 12.754 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.826 6.497 11.790 1.00 0.00 N ATOM 703 NH2 ARG A 27 97.649 6.220 13.138 1.00 0.00 N ATOM 0 H ARG A 27 90.936 2.074 9.973 1.00 0.00 H new ATOM 0 HA ARG A 27 93.064 4.015 9.272 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.319 4.113 11.654 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.720 2.416 11.825 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.049 2.817 11.566 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.792 4.414 10.892 1.00 0.00 H new ATOM 0 HD2 ARG A 27 93.816 5.139 13.101 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.209 3.562 13.757 1.00 0.00 H new ATOM 0 HE ARG A 27 96.399 4.254 14.026 1.00 0.00 H new ATOM 0 HH11 ARG A 27 94.899 6.205 11.479 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.278 7.303 11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 27 98.139 5.713 13.875 1.00 0.00 H new ATOM 0 HH22 ARG A 27 98.087 7.029 12.697 1.00 0.00 H new ATOM 717 N LEU A 28 94.603 2.237 8.560 1.00 0.00 N ATOM 718 CA LEU A 28 95.411 1.205 7.936 1.00 0.00 C ATOM 719 C LEU A 28 96.795 1.149 8.566 1.00 0.00 C ATOM 720 O LEU A 28 97.474 2.170 8.700 1.00 0.00 O ATOM 721 CB LEU A 28 95.532 1.466 6.435 1.00 0.00 C ATOM 722 CG LEU A 28 94.210 1.506 5.669 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.452 1.883 4.219 1.00 0.00 C ATOM 724 CD2 LEU A 28 93.499 0.165 5.756 1.00 0.00 C ATOM 0 H LEU A 28 94.935 3.188 8.399 1.00 0.00 H new ATOM 0 HA LEU A 28 94.920 0.245 8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 28 96.046 2.416 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 28 96.162 0.692 5.998 1.00 0.00 H new ATOM 0 HG LEU A 28 93.571 2.263 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.502 1.907 3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.920 2.866 4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 95.109 1.146 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 28 92.560 0.214 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 28 94.132 -0.611 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 28 93.294 -0.071 6.800 1.00 0.00 H new ATOM 736 N ALA A 29 97.199 -0.046 8.959 1.00 0.00 N ATOM 737 CA ALA A 29 98.518 -0.264 9.520 1.00 0.00 C ATOM 738 C ALA A 29 99.360 -1.087 8.556 1.00 0.00 C ATOM 739 O ALA A 29 98.958 -2.173 8.143 1.00 0.00 O ATOM 740 CB ALA A 29 98.417 -0.958 10.870 1.00 0.00 C ATOM 0 H ALA A 29 96.625 -0.887 8.898 1.00 0.00 H new ATOM 0 HA ALA A 29 99.000 0.702 9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 29 99.417 -1.113 11.275 1.00 0.00 H new ATOM 0 HB2 ALA A 29 97.840 -0.338 11.556 1.00 0.00 H new ATOM 0 HB3 ALA A 29 97.922 -1.921 10.748 1.00 0.00 H new ATOM 746 N ALA A 30 100.510 -0.555 8.183 1.00 0.00 N ATOM 747 CA ALA A 30 101.396 -1.233 7.254 1.00 0.00 C ATOM 748 C ALA A 30 102.726 -1.548 7.919 1.00 0.00 C ATOM 749 O ALA A 30 103.325 -0.690 8.571 1.00 0.00 O ATOM 750 CB ALA A 30 101.608 -0.384 6.012 1.00 0.00 C ATOM 0 H ALA A 30 100.853 0.348 8.511 1.00 0.00 H new ATOM 0 HA ALA A 30 100.932 -2.173 6.956 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.274 -0.905 5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 30 100.649 -0.207 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 30 102.053 0.570 6.295 1.00 0.00 H new ATOM 756 N GLY A 31 103.170 -2.781 7.769 1.00 0.00 N ATOM 757 CA GLY A 31 104.430 -3.197 8.342 1.00 0.00 C ATOM 758 C GLY A 31 105.119 -4.226 7.479 1.00 0.00 C ATOM 759 O GLY A 31 104.783 -4.377 6.305 1.00 0.00 O ATOM 0 H GLY A 31 102.675 -3.510 7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 31 105.079 -2.330 8.464 1.00 0.00 H new ATOM 0 HA3 GLY A 31 104.260 -3.610 9.336 1.00 0.00 H new ATOM 763 N ARG A 32 106.067 -4.948 8.048 1.00 0.00 N ATOM 764 CA ARG A 32 106.817 -5.935 7.289 1.00 0.00 C ATOM 765 C ARG A 32 106.715 -7.308 7.932 1.00 0.00 C ATOM 766 O ARG A 32 106.557 -7.428 9.146 1.00 0.00 O ATOM 767 CB ARG A 32 108.293 -5.544 7.188 1.00 0.00 C ATOM 768 CG ARG A 32 108.544 -4.178 6.574 1.00 0.00 C ATOM 769 CD ARG A 32 110.031 -3.935 6.365 1.00 0.00 C ATOM 770 NE ARG A 32 110.571 -4.737 5.260 1.00 0.00 N ATOM 771 CZ ARG A 32 111.297 -5.848 5.417 1.00 0.00 C ATOM 772 NH1 ARG A 32 111.572 -6.315 6.629 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.750 -6.496 4.348 1.00 0.00 N ATOM 0 H ARG A 32 106.336 -4.871 9.029 1.00 0.00 H new ATOM 0 HA ARG A 32 106.383 -5.970 6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 32 108.730 -5.565 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 32 108.815 -6.296 6.596 1.00 0.00 H new ATOM 0 HG2 ARG A 32 108.023 -4.104 5.620 1.00 0.00 H new ATOM 0 HG3 ARG A 32 108.134 -3.404 7.222 1.00 0.00 H new ATOM 0 HD2 ARG A 32 110.200 -2.878 6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 32 110.569 -4.173 7.282 1.00 0.00 H new ATOM 0 HE ARG A 32 110.379 -4.425 4.308 1.00 0.00 H new ATOM 0 HH11 ARG A 32 111.228 -5.825 7.455 1.00 0.00 H new ATOM 0 HH12 ARG A 32 112.127 -7.164 6.735 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.543 -6.145 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 32 112.305 -7.344 4.463 1.00 0.00 H new ATOM 787 N ASN A 33 106.803 -8.333 7.107 1.00 0.00 N ATOM 788 CA ASN A 33 106.874 -9.702 7.587 1.00 0.00 C ATOM 789 C ASN A 33 108.329 -10.155 7.577 1.00 0.00 C ATOM 790 O ASN A 33 109.095 -9.744 6.703 1.00 0.00 O ATOM 791 CB ASN A 33 106.005 -10.629 6.729 1.00 0.00 C ATOM 792 CG ASN A 33 104.518 -10.431 6.968 1.00 0.00 C ATOM 793 OD1 ASN A 33 104.086 -10.134 8.083 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.723 -10.584 5.919 1.00 0.00 N ATOM 0 H ASN A 33 106.827 -8.243 6.091 1.00 0.00 H new ATOM 0 HA ASN A 33 106.489 -9.748 8.606 1.00 0.00 H new ATOM 0 HB2 ASN A 33 106.225 -10.454 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 33 106.268 -11.665 6.942 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.716 -10.455 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.118 -10.830 5.011 1.00 0.00 H new ATOM 801 N PRO A 34 108.714 -11.000 8.550 1.00 0.00 N ATOM 802 CA PRO A 34 110.108 -11.390 8.810 1.00 0.00 C ATOM 803 C PRO A 34 110.992 -11.553 7.575 1.00 0.00 C ATOM 804 O PRO A 34 112.044 -10.917 7.486 1.00 0.00 O ATOM 805 CB PRO A 34 109.949 -12.717 9.539 1.00 0.00 C ATOM 806 CG PRO A 34 108.691 -12.561 10.317 1.00 0.00 C ATOM 807 CD PRO A 34 107.796 -11.651 9.509 1.00 0.00 C ATOM 0 HA PRO A 34 110.627 -10.608 9.365 1.00 0.00 H new ATOM 0 HB2 PRO A 34 109.883 -13.550 8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 34 110.799 -12.916 10.192 1.00 0.00 H new ATOM 0 HG2 PRO A 34 108.214 -13.527 10.481 1.00 0.00 H new ATOM 0 HG3 PRO A 34 108.893 -12.134 11.299 1.00 0.00 H new ATOM 0 HD2 PRO A 34 107.016 -12.213 8.995 1.00 0.00 H new ATOM 0 HD3 PRO A 34 107.296 -10.918 10.143 1.00 0.00 H new ATOM 815 N ASP A 35 110.600 -12.390 6.627 1.00 0.00 N ATOM 816 CA ASP A 35 111.459 -12.630 5.478 1.00 0.00 C ATOM 817 C ASP A 35 110.745 -12.372 4.162 1.00 0.00 C ATOM 818 O ASP A 35 110.175 -13.276 3.549 1.00 0.00 O ATOM 819 CB ASP A 35 112.045 -14.043 5.491 1.00 0.00 C ATOM 820 CG ASP A 35 113.056 -14.242 4.376 1.00 0.00 C ATOM 821 OD1 ASP A 35 113.903 -13.343 4.166 1.00 0.00 O ATOM 822 OD2 ASP A 35 113.006 -15.293 3.697 1.00 0.00 O ATOM 0 H ASP A 35 109.718 -12.902 6.627 1.00 0.00 H new ATOM 0 HA ASP A 35 112.279 -11.917 5.560 1.00 0.00 H new ATOM 0 HB2 ASP A 35 112.523 -14.230 6.453 1.00 0.00 H new ATOM 0 HB3 ASP A 35 111.241 -14.771 5.387 1.00 0.00 H new ATOM 827 N GLY A 36 110.736 -11.111 3.773 1.00 0.00 N ATOM 828 CA GLY A 36 110.375 -10.748 2.412 1.00 0.00 C ATOM 829 C GLY A 36 108.884 -10.750 2.151 1.00 0.00 C ATOM 830 O GLY A 36 108.418 -11.348 1.181 1.00 0.00 O ATOM 0 H GLY A 36 110.973 -10.323 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 36 110.771 -9.756 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 36 110.856 -11.442 1.722 1.00 0.00 H new ATOM 834 N SER A 37 108.133 -10.092 3.016 1.00 0.00 N ATOM 835 CA SER A 37 106.705 -9.907 2.809 1.00 0.00 C ATOM 836 C SER A 37 106.255 -8.631 3.507 1.00 0.00 C ATOM 837 O SER A 37 106.939 -8.143 4.410 1.00 0.00 O ATOM 838 CB SER A 37 105.918 -11.108 3.342 1.00 0.00 C ATOM 839 OG SER A 37 106.376 -12.326 2.774 1.00 0.00 O ATOM 0 H SER A 37 108.490 -9.674 3.875 1.00 0.00 H new ATOM 0 HA SER A 37 106.511 -9.825 1.740 1.00 0.00 H new ATOM 0 HB2 SER A 37 106.013 -11.153 4.427 1.00 0.00 H new ATOM 0 HB3 SER A 37 104.859 -10.978 3.120 1.00 0.00 H new ATOM 0 HG SER A 37 105.854 -13.072 3.136 1.00 0.00 H new ATOM 845 N ILE A 38 105.126 -8.090 3.091 1.00 0.00 N ATOM 846 CA ILE A 38 104.595 -6.879 3.694 1.00 0.00 C ATOM 847 C ILE A 38 103.328 -7.211 4.478 1.00 0.00 C ATOM 848 O ILE A 38 102.614 -8.154 4.142 1.00 0.00 O ATOM 849 CB ILE A 38 104.295 -5.803 2.624 1.00 0.00 C ATOM 850 CG1 ILE A 38 105.522 -5.586 1.733 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.886 -4.491 3.279 1.00 0.00 C ATOM 852 CD1 ILE A 38 105.306 -4.577 0.625 1.00 0.00 C ATOM 0 H ILE A 38 104.556 -8.470 2.335 1.00 0.00 H new ATOM 0 HA ILE A 38 105.347 -6.474 4.371 1.00 0.00 H new ATOM 0 HB ILE A 38 103.467 -6.154 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 38 106.355 -5.257 2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.811 -6.540 1.291 1.00 0.00 H new ATOM 0 HG21 ILE A 38 103.680 -3.748 2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.991 -4.648 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 38 104.694 -4.136 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 38 106.220 -4.479 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 38 104.495 -4.914 -0.021 1.00 0.00 H new ATOM 0 HD13 ILE A 38 105.048 -3.611 1.058 1.00 0.00 H new ATOM 864 N ASP A 39 103.069 -6.460 5.535 1.00 0.00 N ATOM 865 CA ASP A 39 101.903 -6.701 6.373 1.00 0.00 C ATOM 866 C ASP A 39 100.928 -5.534 6.287 1.00 0.00 C ATOM 867 O ASP A 39 101.280 -4.398 6.606 1.00 0.00 O ATOM 868 CB ASP A 39 102.332 -6.920 7.824 1.00 0.00 C ATOM 869 CG ASP A 39 101.155 -7.038 8.770 1.00 0.00 C ATOM 870 OD1 ASP A 39 100.390 -8.017 8.659 1.00 0.00 O ATOM 871 OD2 ASP A 39 101.005 -6.162 9.650 1.00 0.00 O ATOM 0 H ASP A 39 103.650 -5.677 5.835 1.00 0.00 H new ATOM 0 HA ASP A 39 101.401 -7.599 6.012 1.00 0.00 H new ATOM 0 HB2 ASP A 39 102.936 -7.825 7.887 1.00 0.00 H new ATOM 0 HB3 ASP A 39 102.965 -6.091 8.140 1.00 0.00 H new ATOM 876 N TYR A 40 99.715 -5.811 5.832 1.00 0.00 N ATOM 877 CA TYR A 40 98.681 -4.789 5.744 1.00 0.00 C ATOM 878 C TYR A 40 97.517 -5.122 6.672 1.00 0.00 C ATOM 879 O TYR A 40 96.900 -6.182 6.555 1.00 0.00 O ATOM 880 CB TYR A 40 98.170 -4.654 4.305 1.00 0.00 C ATOM 881 CG TYR A 40 99.231 -4.248 3.306 1.00 0.00 C ATOM 882 CD1 TYR A 40 99.806 -2.986 3.349 1.00 0.00 C ATOM 883 CD2 TYR A 40 99.651 -5.127 2.316 1.00 0.00 C ATOM 884 CE1 TYR A 40 100.772 -2.609 2.436 1.00 0.00 C ATOM 885 CE2 TYR A 40 100.618 -4.757 1.398 1.00 0.00 C ATOM 886 CZ TYR A 40 101.174 -3.497 1.463 1.00 0.00 C ATOM 887 OH TYR A 40 102.141 -3.126 0.557 1.00 0.00 O ATOM 0 H TYR A 40 99.422 -6.736 5.518 1.00 0.00 H new ATOM 0 HA TYR A 40 99.122 -3.841 6.052 1.00 0.00 H new ATOM 0 HB2 TYR A 40 97.739 -5.605 3.994 1.00 0.00 H new ATOM 0 HB3 TYR A 40 97.366 -3.918 4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 40 99.493 -2.286 4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 40 99.216 -6.114 2.262 1.00 0.00 H new ATOM 0 HE1 TYR A 40 101.210 -1.623 2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 40 100.936 -5.452 0.634 1.00 0.00 H new ATOM 0 HH TYR A 40 102.133 -3.745 -0.202 1.00 0.00 H new ATOM 897 N ARG A 41 97.229 -4.226 7.603 1.00 0.00 N ATOM 898 CA ARG A 41 96.096 -4.397 8.502 1.00 0.00 C ATOM 899 C ARG A 41 95.060 -3.303 8.278 1.00 0.00 C ATOM 900 O ARG A 41 95.382 -2.114 8.302 1.00 0.00 O ATOM 901 CB ARG A 41 96.548 -4.376 9.967 1.00 0.00 C ATOM 902 CG ARG A 41 95.386 -4.386 10.952 1.00 0.00 C ATOM 903 CD ARG A 41 95.851 -4.182 12.383 1.00 0.00 C ATOM 904 NE ARG A 41 94.729 -3.954 13.293 1.00 0.00 N ATOM 905 CZ ARG A 41 94.850 -3.452 14.522 1.00 0.00 C ATOM 906 NH1 ARG A 41 96.051 -3.219 15.037 1.00 0.00 N ATOM 907 NH2 ARG A 41 93.769 -3.208 15.249 1.00 0.00 N ATOM 0 H ARG A 41 97.764 -3.372 7.757 1.00 0.00 H new ATOM 0 HA ARG A 41 95.648 -5.366 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 41 97.185 -5.240 10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 41 97.156 -3.488 10.141 1.00 0.00 H new ATOM 0 HG2 ARG A 41 94.678 -3.601 10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 41 94.854 -5.334 10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 41 96.412 -5.057 12.711 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.532 -3.332 12.426 1.00 0.00 H new ATOM 0 HE ARG A 41 93.793 -4.195 12.966 1.00 0.00 H new ATOM 0 HH11 ARG A 41 96.888 -3.424 14.492 1.00 0.00 H new ATOM 0 HH12 ARG A 41 96.137 -2.835 15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 41 92.843 -3.404 14.868 1.00 0.00 H new ATOM 0 HH22 ARG A 41 93.863 -2.824 16.189 1.00 0.00 H new ATOM 921 N MET A 42 93.819 -3.711 8.058 1.00 0.00 N ATOM 922 CA MET A 42 92.715 -2.773 7.936 1.00 0.00 C ATOM 923 C MET A 42 91.796 -2.894 9.141 1.00 0.00 C ATOM 924 O MET A 42 91.309 -3.984 9.448 1.00 0.00 O ATOM 925 CB MET A 42 91.925 -3.030 6.652 1.00 0.00 C ATOM 926 CG MET A 42 90.734 -2.101 6.477 1.00 0.00 C ATOM 927 SD MET A 42 89.831 -2.399 4.946 1.00 0.00 S ATOM 928 CE MET A 42 89.301 -4.092 5.184 1.00 0.00 C ATOM 0 H MET A 42 93.551 -4.690 7.960 1.00 0.00 H new ATOM 0 HA MET A 42 93.124 -1.763 7.894 1.00 0.00 H new ATOM 0 HB2 MET A 42 92.591 -2.919 5.796 1.00 0.00 H new ATOM 0 HB3 MET A 42 91.574 -4.062 6.651 1.00 0.00 H new ATOM 0 HG2 MET A 42 90.057 -2.224 7.322 1.00 0.00 H new ATOM 0 HG3 MET A 42 91.080 -1.068 6.493 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.258 -4.193 4.882 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.919 -4.755 4.579 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.402 -4.360 6.236 1.00 0.00 H new ATOM 938 N GLY A 43 91.573 -1.785 9.828 1.00 0.00 N ATOM 939 CA GLY A 43 90.697 -1.797 10.976 1.00 0.00 C ATOM 940 C GLY A 43 89.999 -0.471 11.173 1.00 0.00 C ATOM 941 O GLY A 43 90.391 0.538 10.590 1.00 0.00 O ATOM 0 H GLY A 43 91.984 -0.877 9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.952 -2.584 10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.274 -2.039 11.869 1.00 0.00 H new ATOM 945 N PHE A 44 88.960 -0.469 11.987 1.00 0.00 N ATOM 946 CA PHE A 44 88.235 0.751 12.294 1.00 0.00 C ATOM 947 C PHE A 44 88.745 1.333 13.602 1.00 0.00 C ATOM 948 O PHE A 44 88.607 0.719 14.663 1.00 0.00 O ATOM 949 CB PHE A 44 86.732 0.483 12.382 1.00 0.00 C ATOM 950 CG PHE A 44 86.125 0.030 11.085 1.00 0.00 C ATOM 951 CD1 PHE A 44 86.090 -1.316 10.752 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.588 0.950 10.200 1.00 0.00 C ATOM 953 CE1 PHE A 44 85.530 -1.733 9.561 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.028 0.537 9.007 1.00 0.00 C ATOM 955 CZ PHE A 44 84.999 -0.807 8.688 1.00 0.00 C ATOM 0 H PHE A 44 88.597 -1.303 12.450 1.00 0.00 H new ATOM 0 HA PHE A 44 88.403 1.469 11.491 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.551 -0.276 13.143 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.228 1.392 12.712 1.00 0.00 H new ATOM 0 HD1 PHE A 44 86.505 -2.046 11.432 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.607 2.002 10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 44 85.508 -2.784 9.313 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.613 1.264 8.324 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.561 -1.132 7.756 1.00 0.00 H new ATOM 965 N ASP A 45 89.339 2.508 13.522 1.00 0.00 N ATOM 966 CA ASP A 45 89.966 3.131 14.675 1.00 0.00 C ATOM 967 C ASP A 45 89.553 4.599 14.757 1.00 0.00 C ATOM 968 O ASP A 45 88.581 5.007 14.115 1.00 0.00 O ATOM 969 CB ASP A 45 91.490 2.988 14.578 1.00 0.00 C ATOM 970 CG ASP A 45 92.177 3.106 15.923 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.159 2.119 16.691 1.00 0.00 O ATOM 972 OD2 ASP A 45 92.734 4.181 16.218 1.00 0.00 O ATOM 0 H ASP A 45 89.401 3.055 12.664 1.00 0.00 H new ATOM 0 HA ASP A 45 89.635 2.633 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.732 2.022 14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 45 91.880 3.753 13.907 1.00 0.00 H new ATOM 977 N ASP A 46 90.273 5.383 15.544 1.00 0.00 N ATOM 978 CA ASP A 46 89.911 6.777 15.767 1.00 0.00 C ATOM 979 C ASP A 46 90.397 7.650 14.609 1.00 0.00 C ATOM 980 O ASP A 46 91.257 7.240 13.827 1.00 0.00 O ATOM 981 CB ASP A 46 90.506 7.269 17.090 1.00 0.00 C ATOM 982 CG ASP A 46 89.764 8.464 17.658 1.00 0.00 C ATOM 983 OD1 ASP A 46 90.002 9.598 17.198 1.00 0.00 O ATOM 984 OD2 ASP A 46 88.941 8.271 18.577 1.00 0.00 O ATOM 0 H ASP A 46 91.111 5.079 16.039 1.00 0.00 H new ATOM 0 HA ASP A 46 88.825 6.850 15.820 1.00 0.00 H new ATOM 0 HB2 ASP A 46 90.487 6.456 17.816 1.00 0.00 H new ATOM 0 HB3 ASP A 46 91.552 7.535 16.936 1.00 0.00 H new ATOM 989 N LEU A 47 89.848 8.851 14.502 1.00 0.00 N ATOM 990 CA LEU A 47 90.198 9.763 13.424 1.00 0.00 C ATOM 991 C LEU A 47 91.196 10.794 13.937 1.00 0.00 C ATOM 992 O LEU A 47 90.908 11.537 14.876 1.00 0.00 O ATOM 993 CB LEU A 47 88.931 10.445 12.887 1.00 0.00 C ATOM 994 CG LEU A 47 89.009 10.986 11.453 1.00 0.00 C ATOM 995 CD1 LEU A 47 87.610 11.274 10.934 1.00 0.00 C ATOM 996 CD2 LEU A 47 89.861 12.248 11.378 1.00 0.00 C ATOM 0 H LEU A 47 89.154 9.218 15.153 1.00 0.00 H new ATOM 0 HA LEU A 47 90.659 9.209 12.607 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.109 9.731 12.940 1.00 0.00 H new ATOM 0 HB3 LEU A 47 88.679 11.271 13.552 1.00 0.00 H new ATOM 0 HG LEU A 47 89.481 10.225 10.831 1.00 0.00 H new ATOM 0 HD11 LEU A 47 87.672 11.658 9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.023 10.355 10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.130 12.016 11.573 1.00 0.00 H new ATOM 0 HD21 LEU A 47 89.895 12.604 10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 47 89.426 13.019 12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 47 90.872 12.025 11.718 1.00 0.00 H new ATOM 1008 N THR A 48 92.374 10.823 13.336 1.00 0.00 N ATOM 1009 CA THR A 48 93.427 11.725 13.770 1.00 0.00 C ATOM 1010 C THR A 48 93.893 12.610 12.608 1.00 0.00 C ATOM 1011 O THR A 48 94.269 12.107 11.551 1.00 0.00 O ATOM 1012 CB THR A 48 94.617 10.923 14.338 1.00 0.00 C ATOM 1013 OG1 THR A 48 94.130 9.876 15.190 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.552 11.820 15.134 1.00 0.00 C ATOM 0 H THR A 48 92.625 10.231 12.544 1.00 0.00 H new ATOM 0 HA THR A 48 93.028 12.367 14.555 1.00 0.00 H new ATOM 0 HB THR A 48 95.171 10.498 13.501 1.00 0.00 H new ATOM 0 HG1 THR A 48 94.887 9.367 15.548 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.381 11.228 15.522 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.940 12.607 14.487 1.00 0.00 H new ATOM 0 HG23 THR A 48 95.007 12.269 15.964 1.00 0.00 H new ATOM 1022 N GLU A 49 93.844 13.928 12.807 1.00 0.00 N ATOM 1023 CA GLU A 49 94.256 14.885 11.775 1.00 0.00 C ATOM 1024 C GLU A 49 95.767 14.867 11.564 1.00 0.00 C ATOM 1025 O GLU A 49 96.274 15.429 10.593 1.00 0.00 O ATOM 1026 CB GLU A 49 93.833 16.304 12.144 1.00 0.00 C ATOM 1027 CG GLU A 49 92.337 16.500 12.280 1.00 0.00 C ATOM 1028 CD GLU A 49 91.988 17.943 12.564 1.00 0.00 C ATOM 1029 OE1 GLU A 49 92.230 18.404 13.702 1.00 0.00 O ATOM 1030 OE2 GLU A 49 91.490 18.630 11.648 1.00 0.00 O ATOM 0 H GLU A 49 93.523 14.359 13.674 1.00 0.00 H new ATOM 0 HA GLU A 49 93.762 14.581 10.852 1.00 0.00 H new ATOM 0 HB2 GLU A 49 94.309 16.578 13.085 1.00 0.00 H new ATOM 0 HB3 GLU A 49 94.209 16.990 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 49 91.843 16.179 11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 49 91.958 15.869 13.084 1.00 0.00 H new ATOM 1037 N ASP A 50 96.481 14.252 12.494 1.00 0.00 N ATOM 1038 CA ASP A 50 97.927 14.104 12.374 1.00 0.00 C ATOM 1039 C ASP A 50 98.273 13.104 11.285 1.00 0.00 C ATOM 1040 O ASP A 50 99.419 13.026 10.835 1.00 0.00 O ATOM 1041 CB ASP A 50 98.543 13.666 13.703 1.00 0.00 C ATOM 1042 CG ASP A 50 98.723 14.823 14.661 1.00 0.00 C ATOM 1043 OD1 ASP A 50 97.788 15.115 15.438 1.00 0.00 O ATOM 1044 OD2 ASP A 50 99.801 15.454 14.634 1.00 0.00 O ATOM 0 H ASP A 50 96.084 13.846 13.342 1.00 0.00 H new ATOM 0 HA ASP A 50 98.342 15.075 12.104 1.00 0.00 H new ATOM 0 HB2 ASP A 50 97.907 12.911 14.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.510 13.198 13.516 1.00 0.00 H new ATOM 1049 N ASP A 51 97.272 12.347 10.870 1.00 0.00 N ATOM 1050 CA ASP A 51 97.425 11.374 9.806 1.00 0.00 C ATOM 1051 C ASP A 51 96.939 11.970 8.492 1.00 0.00 C ATOM 1052 O ASP A 51 96.156 12.922 8.491 1.00 0.00 O ATOM 1053 CB ASP A 51 96.628 10.109 10.129 1.00 0.00 C ATOM 1054 CG ASP A 51 97.149 9.381 11.353 1.00 0.00 C ATOM 1055 OD1 ASP A 51 96.985 9.889 12.479 1.00 0.00 O ATOM 1056 OD2 ASP A 51 97.709 8.277 11.195 1.00 0.00 O ATOM 0 H ASP A 51 96.331 12.391 11.262 1.00 0.00 H new ATOM 0 HA ASP A 51 98.479 11.112 9.715 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.583 10.375 10.288 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.659 9.437 9.272 1.00 0.00 H new ATOM 1061 N ILE A 52 97.395 11.416 7.381 1.00 0.00 N ATOM 1062 CA ILE A 52 96.995 11.908 6.072 1.00 0.00 C ATOM 1063 C ILE A 52 95.555 11.494 5.768 1.00 0.00 C ATOM 1064 O ILE A 52 95.175 10.338 5.958 1.00 0.00 O ATOM 1065 CB ILE A 52 97.942 11.410 4.959 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.365 11.918 5.222 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.454 11.869 3.589 1.00 0.00 C ATOM 1068 CD1 ILE A 52 100.355 11.565 4.133 1.00 0.00 C ATOM 0 H ILE A 52 98.041 10.627 7.358 1.00 0.00 H new ATOM 0 HA ILE A 52 97.057 12.996 6.095 1.00 0.00 H new ATOM 0 HB ILE A 52 97.948 10.320 4.966 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.338 13.002 5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.718 11.506 6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 52 98.136 11.507 2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.456 11.470 3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.421 12.958 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 52 101.337 11.959 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 52 100.414 10.481 4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 52 100.028 12.000 3.189 1.00 0.00 H new ATOM 1080 N ARG A 53 94.771 12.459 5.307 1.00 0.00 N ATOM 1081 CA ARG A 53 93.352 12.255 5.059 1.00 0.00 C ATOM 1082 C ARG A 53 93.115 11.656 3.678 1.00 0.00 C ATOM 1083 O ARG A 53 93.391 12.293 2.663 1.00 0.00 O ATOM 1084 CB ARG A 53 92.612 13.593 5.162 1.00 0.00 C ATOM 1085 CG ARG A 53 92.790 14.298 6.497 1.00 0.00 C ATOM 1086 CD ARG A 53 91.865 13.730 7.558 1.00 0.00 C ATOM 1087 NE ARG A 53 90.458 13.906 7.200 1.00 0.00 N ATOM 1088 CZ ARG A 53 89.689 14.903 7.646 1.00 0.00 C ATOM 1089 NH1 ARG A 53 90.195 15.849 8.430 1.00 0.00 N ATOM 1090 NH2 ARG A 53 88.418 14.961 7.285 1.00 0.00 N ATOM 0 H ARG A 53 95.100 13.401 5.095 1.00 0.00 H new ATOM 0 HA ARG A 53 92.974 11.560 5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.960 14.251 4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.549 13.422 4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 53 93.825 14.200 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 53 92.594 15.363 6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 53 92.076 12.669 7.694 1.00 0.00 H new ATOM 0 HD3 ARG A 53 92.062 14.219 8.512 1.00 0.00 H new ATOM 0 HE ARG A 53 90.037 13.224 6.569 1.00 0.00 H new ATOM 0 HH11 ARG A 53 91.179 15.818 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.599 16.606 8.765 1.00 0.00 H new ATOM 0 HH21 ARG A 53 88.030 14.247 6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.826 15.720 7.623 1.00 0.00 H new ATOM 1104 N LEU A 54 92.625 10.432 3.649 1.00 0.00 N ATOM 1105 CA LEU A 54 92.203 9.815 2.400 1.00 0.00 C ATOM 1106 C LEU A 54 90.701 9.579 2.446 1.00 0.00 C ATOM 1107 O LEU A 54 90.231 8.622 3.055 1.00 0.00 O ATOM 1108 CB LEU A 54 92.943 8.493 2.174 1.00 0.00 C ATOM 1109 CG LEU A 54 92.681 7.826 0.823 1.00 0.00 C ATOM 1110 CD1 LEU A 54 93.246 8.667 -0.311 1.00 0.00 C ATOM 1111 CD2 LEU A 54 93.280 6.431 0.796 1.00 0.00 C ATOM 0 H LEU A 54 92.508 9.843 4.474 1.00 0.00 H new ATOM 0 HA LEU A 54 92.443 10.480 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 54 94.014 8.673 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.663 7.798 2.965 1.00 0.00 H new ATOM 0 HG LEU A 54 91.603 7.745 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 54 93.049 8.174 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 54 92.773 9.649 -0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.322 8.781 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 54 93.085 5.970 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.356 6.494 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.830 5.826 1.583 1.00 0.00 H new ATOM 1123 N THR A 55 89.949 10.455 1.811 1.00 0.00 N ATOM 1124 CA THR A 55 88.502 10.415 1.905 1.00 0.00 C ATOM 1125 C THR A 55 87.875 9.934 0.602 1.00 0.00 C ATOM 1126 O THR A 55 88.043 10.553 -0.447 1.00 0.00 O ATOM 1127 CB THR A 55 87.948 11.810 2.259 1.00 0.00 C ATOM 1128 OG1 THR A 55 88.735 12.388 3.313 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.493 11.723 2.697 1.00 0.00 C ATOM 0 H THR A 55 90.315 11.204 1.224 1.00 0.00 H new ATOM 0 HA THR A 55 88.243 9.710 2.695 1.00 0.00 H new ATOM 0 HB THR A 55 88.003 12.438 1.370 1.00 0.00 H new ATOM 0 HG1 THR A 55 88.143 12.708 4.026 1.00 0.00 H new ATOM 0 HG21 THR A 55 86.126 12.720 2.941 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.894 11.304 1.888 1.00 0.00 H new ATOM 0 HG23 THR A 55 86.415 11.083 3.576 1.00 0.00 H new ATOM 1137 N SER A 56 87.168 8.812 0.670 1.00 0.00 N ATOM 1138 CA SER A 56 86.423 8.321 -0.479 1.00 0.00 C ATOM 1139 C SER A 56 85.013 8.906 -0.450 1.00 0.00 C ATOM 1140 O SER A 56 84.743 9.850 0.295 1.00 0.00 O ATOM 1141 CB SER A 56 86.376 6.788 -0.476 1.00 0.00 C ATOM 1142 OG SER A 56 85.690 6.295 0.664 1.00 0.00 O ATOM 0 H SER A 56 87.096 8.229 1.504 1.00 0.00 H new ATOM 0 HA SER A 56 86.922 8.636 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 56 85.881 6.436 -1.381 1.00 0.00 H new ATOM 0 HB3 SER A 56 87.391 6.391 -0.492 1.00 0.00 H new ATOM 0 HG SER A 56 86.286 6.322 1.441 1.00 0.00 H new ATOM 1148 N GLU A 57 84.112 8.339 -1.240 1.00 0.00 N ATOM 1149 CA GLU A 57 82.748 8.846 -1.318 1.00 0.00 C ATOM 1150 C GLU A 57 81.950 8.506 -0.062 1.00 0.00 C ATOM 1151 O GLU A 57 80.875 9.058 0.165 1.00 0.00 O ATOM 1152 CB GLU A 57 82.039 8.273 -2.540 1.00 0.00 C ATOM 1153 CG GLU A 57 82.771 8.531 -3.840 1.00 0.00 C ATOM 1154 CD GLU A 57 81.964 8.101 -5.039 1.00 0.00 C ATOM 1155 OE1 GLU A 57 82.085 6.935 -5.455 1.00 0.00 O ATOM 1156 OE2 GLU A 57 81.196 8.931 -5.571 1.00 0.00 O ATOM 0 H GLU A 57 84.299 7.531 -1.834 1.00 0.00 H new ATOM 0 HA GLU A 57 82.807 9.931 -1.404 1.00 0.00 H new ATOM 0 HB2 GLU A 57 81.917 7.198 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 57 81.039 8.702 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 57 83.002 9.593 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.721 7.997 -3.833 1.00 0.00 H new ATOM 1163 N GLY A 58 82.476 7.595 0.748 1.00 0.00 N ATOM 1164 CA GLY A 58 81.758 7.172 1.933 1.00 0.00 C ATOM 1165 C GLY A 58 82.664 6.931 3.123 1.00 0.00 C ATOM 1166 O GLY A 58 82.321 7.278 4.250 1.00 0.00 O ATOM 0 H GLY A 58 83.380 7.145 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.020 7.931 2.194 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.209 6.257 1.711 1.00 0.00 H new ATOM 1170 N VAL A 59 83.828 6.349 2.879 1.00 0.00 N ATOM 1171 CA VAL A 59 84.725 5.976 3.962 1.00 0.00 C ATOM 1172 C VAL A 59 85.945 6.889 3.996 1.00 0.00 C ATOM 1173 O VAL A 59 86.640 7.050 2.991 1.00 0.00 O ATOM 1174 CB VAL A 59 85.190 4.510 3.823 1.00 0.00 C ATOM 1175 CG1 VAL A 59 86.006 4.086 5.033 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.997 3.585 3.626 1.00 0.00 C ATOM 0 H VAL A 59 84.173 6.126 1.945 1.00 0.00 H new ATOM 0 HA VAL A 59 84.169 6.084 4.893 1.00 0.00 H new ATOM 0 HB VAL A 59 85.828 4.437 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.323 3.050 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.884 4.726 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.397 4.178 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.346 2.557 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.330 3.663 4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.460 3.872 2.722 1.00 0.00 H new ATOM 1186 N GLU A 60 86.198 7.492 5.145 1.00 0.00 N ATOM 1187 CA GLU A 60 87.369 8.331 5.314 1.00 0.00 C ATOM 1188 C GLU A 60 88.469 7.552 6.026 1.00 0.00 C ATOM 1189 O GLU A 60 88.234 6.929 7.066 1.00 0.00 O ATOM 1190 CB GLU A 60 87.017 9.605 6.082 1.00 0.00 C ATOM 1191 CG GLU A 60 88.187 10.561 6.238 1.00 0.00 C ATOM 1192 CD GLU A 60 87.750 11.952 6.633 1.00 0.00 C ATOM 1193 OE1 GLU A 60 87.431 12.173 7.816 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.715 12.839 5.755 1.00 0.00 O ATOM 0 H GLU A 60 85.608 7.416 5.973 1.00 0.00 H new ATOM 0 HA GLU A 60 87.734 8.626 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 60 86.205 10.118 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.646 9.333 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.872 10.172 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.739 10.610 5.300 1.00 0.00 H new ATOM 1201 N ILE A 61 89.654 7.577 5.442 1.00 0.00 N ATOM 1202 CA ILE A 61 90.787 6.817 5.940 1.00 0.00 C ATOM 1203 C ILE A 61 91.880 7.752 6.448 1.00 0.00 C ATOM 1204 O ILE A 61 92.231 8.726 5.780 1.00 0.00 O ATOM 1205 CB ILE A 61 91.367 5.924 4.819 1.00 0.00 C ATOM 1206 CG1 ILE A 61 90.260 5.070 4.192 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.484 5.042 5.354 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.713 4.274 2.987 1.00 0.00 C ATOM 0 H ILE A 61 89.858 8.126 4.607 1.00 0.00 H new ATOM 0 HA ILE A 61 90.438 6.192 6.762 1.00 0.00 H new ATOM 0 HB ILE A 61 91.786 6.570 4.048 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.873 4.384 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 61 89.435 5.719 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.877 4.423 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.283 5.668 5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 61 92.095 4.402 6.146 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.876 3.695 2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 61 91.073 4.955 2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 61 91.517 3.598 3.279 1.00 0.00 H new ATOM 1220 N VAL A 62 92.406 7.467 7.630 1.00 0.00 N ATOM 1221 CA VAL A 62 93.520 8.234 8.172 1.00 0.00 C ATOM 1222 C VAL A 62 94.783 7.379 8.214 1.00 0.00 C ATOM 1223 O VAL A 62 94.820 6.330 8.865 1.00 0.00 O ATOM 1224 CB VAL A 62 93.213 8.802 9.579 1.00 0.00 C ATOM 1225 CG1 VAL A 62 92.198 9.931 9.483 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.707 7.713 10.515 1.00 0.00 C ATOM 0 H VAL A 62 92.080 6.711 8.232 1.00 0.00 H new ATOM 0 HA VAL A 62 93.679 9.083 7.507 1.00 0.00 H new ATOM 0 HB VAL A 62 94.141 9.196 9.993 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.992 10.321 10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.599 10.729 8.857 1.00 0.00 H new ATOM 0 HG13 VAL A 62 91.275 9.554 9.043 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.500 8.143 11.495 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.793 7.280 10.109 1.00 0.00 H new ATOM 0 HG23 VAL A 62 93.465 6.936 10.612 1.00 0.00 H new ATOM 1236 N ILE A 63 95.810 7.815 7.497 1.00 0.00 N ATOM 1237 CA ILE A 63 97.046 7.050 7.394 1.00 0.00 C ATOM 1238 C ILE A 63 98.258 7.913 7.725 1.00 0.00 C ATOM 1239 O ILE A 63 98.502 8.929 7.074 1.00 0.00 O ATOM 1240 CB ILE A 63 97.234 6.469 5.976 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.999 5.673 5.549 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.473 5.586 5.932 1.00 0.00 C ATOM 1243 CD1 ILE A 63 96.049 5.199 4.113 1.00 0.00 C ATOM 0 H ILE A 63 95.812 8.693 6.978 1.00 0.00 H new ATOM 0 HA ILE A 63 96.968 6.235 8.113 1.00 0.00 H new ATOM 0 HB ILE A 63 97.365 7.296 5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.890 4.809 6.204 1.00 0.00 H new ATOM 0 HG13 ILE A 63 95.113 6.292 5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.596 5.181 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 63 99.350 6.177 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 63 98.361 4.766 6.642 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.141 4.642 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.126 6.059 3.448 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.916 4.553 3.973 1.00 0.00 H new ATOM 1255 N ALA A 64 99.005 7.511 8.742 1.00 0.00 N ATOM 1256 CA ALA A 64 100.245 8.188 9.092 1.00 0.00 C ATOM 1257 C ALA A 64 101.273 8.016 7.978 1.00 0.00 C ATOM 1258 O ALA A 64 101.336 6.957 7.347 1.00 0.00 O ATOM 1259 CB ALA A 64 100.793 7.650 10.405 1.00 0.00 C ATOM 0 H ALA A 64 98.774 6.718 9.340 1.00 0.00 H new ATOM 0 HA ALA A 64 100.037 9.251 9.215 1.00 0.00 H new ATOM 0 HB1 ALA A 64 101.720 8.167 10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 64 100.064 7.815 11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.988 6.582 10.307 1.00 0.00 H new ATOM 1265 N PRO A 65 102.094 9.053 7.729 1.00 0.00 N ATOM 1266 CA PRO A 65 103.102 9.048 6.654 1.00 0.00 C ATOM 1267 C PRO A 65 103.965 7.789 6.644 1.00 0.00 C ATOM 1268 O PRO A 65 104.363 7.309 5.583 1.00 0.00 O ATOM 1269 CB PRO A 65 103.955 10.278 6.969 1.00 0.00 C ATOM 1270 CG PRO A 65 103.029 11.202 7.681 1.00 0.00 C ATOM 1271 CD PRO A 65 102.100 10.327 8.476 1.00 0.00 C ATOM 0 HA PRO A 65 102.636 9.066 5.669 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.812 10.018 7.591 1.00 0.00 H new ATOM 0 HB3 PRO A 65 104.347 10.732 6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 65 103.580 11.880 8.333 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.474 11.819 6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 65 102.455 10.190 9.498 1.00 0.00 H new ATOM 0 HD3 PRO A 65 101.101 10.758 8.540 1.00 0.00 H new ATOM 1279 N ASP A 66 104.233 7.249 7.831 1.00 0.00 N ATOM 1280 CA ASP A 66 105.038 6.037 7.969 1.00 0.00 C ATOM 1281 C ASP A 66 104.415 4.862 7.222 1.00 0.00 C ATOM 1282 O ASP A 66 105.113 4.088 6.567 1.00 0.00 O ATOM 1283 CB ASP A 66 105.205 5.664 9.445 1.00 0.00 C ATOM 1284 CG ASP A 66 106.053 6.656 10.211 1.00 0.00 C ATOM 1285 OD1 ASP A 66 107.297 6.576 10.115 1.00 0.00 O ATOM 1286 OD2 ASP A 66 105.485 7.511 10.921 1.00 0.00 O ATOM 0 H ASP A 66 103.902 7.634 8.716 1.00 0.00 H new ATOM 0 HA ASP A 66 106.014 6.249 7.533 1.00 0.00 H new ATOM 0 HB2 ASP A 66 104.222 5.598 9.911 1.00 0.00 H new ATOM 0 HB3 ASP A 66 105.658 4.675 9.516 1.00 0.00 H new ATOM 1291 N TYR A 67 103.098 4.739 7.311 1.00 0.00 N ATOM 1292 CA TYR A 67 102.395 3.611 6.713 1.00 0.00 C ATOM 1293 C TYR A 67 102.132 3.866 5.232 1.00 0.00 C ATOM 1294 O TYR A 67 101.974 2.933 4.443 1.00 0.00 O ATOM 1295 CB TYR A 67 101.076 3.360 7.448 1.00 0.00 C ATOM 1296 CG TYR A 67 101.237 3.185 8.944 1.00 0.00 C ATOM 1297 CD1 TYR A 67 101.902 2.084 9.466 1.00 0.00 C ATOM 1298 CD2 TYR A 67 100.732 4.126 9.833 1.00 0.00 C ATOM 1299 CE1 TYR A 67 102.054 1.921 10.829 1.00 0.00 C ATOM 1300 CE2 TYR A 67 100.882 3.970 11.199 1.00 0.00 C ATOM 1301 CZ TYR A 67 101.546 2.866 11.692 1.00 0.00 C ATOM 1302 OH TYR A 67 101.699 2.705 13.051 1.00 0.00 O ATOM 0 H TYR A 67 102.494 5.406 7.791 1.00 0.00 H new ATOM 0 HA TYR A 67 103.024 2.725 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 67 100.400 4.194 7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 67 100.604 2.468 7.035 1.00 0.00 H new ATOM 0 HD1 TYR A 67 102.308 1.342 8.794 1.00 0.00 H new ATOM 0 HD2 TYR A 67 100.214 4.993 9.451 1.00 0.00 H new ATOM 0 HE1 TYR A 67 102.570 1.055 11.217 1.00 0.00 H new ATOM 0 HE2 TYR A 67 100.481 4.709 11.877 1.00 0.00 H new ATOM 0 HH TYR A 67 101.285 3.460 13.519 1.00 0.00 H new ATOM 1312 N VAL A 68 102.108 5.143 4.866 1.00 0.00 N ATOM 1313 CA VAL A 68 101.866 5.561 3.486 1.00 0.00 C ATOM 1314 C VAL A 68 102.896 4.960 2.530 1.00 0.00 C ATOM 1315 O VAL A 68 102.581 4.642 1.382 1.00 0.00 O ATOM 1316 CB VAL A 68 101.894 7.102 3.371 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.752 7.559 1.927 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.798 7.710 4.227 1.00 0.00 C ATOM 0 H VAL A 68 102.255 5.917 5.514 1.00 0.00 H new ATOM 0 HA VAL A 68 100.879 5.195 3.205 1.00 0.00 H new ATOM 0 HB VAL A 68 102.863 7.446 3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.776 8.648 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.574 7.155 1.335 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.805 7.202 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.827 8.796 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.828 7.344 3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.951 7.427 5.268 1.00 0.00 H new ATOM 1328 N SER A 69 104.114 4.773 3.028 1.00 0.00 N ATOM 1329 CA SER A 69 105.222 4.275 2.219 1.00 0.00 C ATOM 1330 C SER A 69 104.909 2.919 1.577 1.00 0.00 C ATOM 1331 O SER A 69 105.453 2.586 0.523 1.00 0.00 O ATOM 1332 CB SER A 69 106.473 4.157 3.090 1.00 0.00 C ATOM 1333 OG SER A 69 106.706 5.362 3.802 1.00 0.00 O ATOM 0 H SER A 69 104.361 4.961 4.000 1.00 0.00 H new ATOM 0 HA SER A 69 105.388 4.987 1.410 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.357 3.331 3.792 1.00 0.00 H new ATOM 0 HB3 SER A 69 107.336 3.925 2.466 1.00 0.00 H new ATOM 0 HG SER A 69 107.510 5.265 4.354 1.00 0.00 H new ATOM 1339 N LEU A 70 104.033 2.143 2.206 1.00 0.00 N ATOM 1340 CA LEU A 70 103.715 0.807 1.714 1.00 0.00 C ATOM 1341 C LEU A 70 102.315 0.751 1.105 1.00 0.00 C ATOM 1342 O LEU A 70 102.092 0.057 0.113 1.00 0.00 O ATOM 1343 CB LEU A 70 103.829 -0.213 2.850 1.00 0.00 C ATOM 1344 CG LEU A 70 105.222 -0.335 3.476 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.193 -1.287 4.660 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.233 -0.805 2.439 1.00 0.00 C ATOM 0 H LEU A 70 103.533 2.414 3.053 1.00 0.00 H new ATOM 0 HA LEU A 70 104.433 0.562 0.931 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.119 0.056 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.531 -1.191 2.471 1.00 0.00 H new ATOM 0 HG LEU A 70 105.526 0.649 3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.191 -1.361 5.092 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.499 -0.911 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.868 -2.273 4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.217 -0.886 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.932 -1.779 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 70 106.275 -0.087 1.620 1.00 0.00 H new ATOM 1358 N LEU A 71 101.391 1.513 1.683 1.00 0.00 N ATOM 1359 CA LEU A 71 99.979 1.449 1.300 1.00 0.00 C ATOM 1360 C LEU A 71 99.712 2.080 -0.065 1.00 0.00 C ATOM 1361 O LEU A 71 98.621 1.926 -0.620 1.00 0.00 O ATOM 1362 CB LEU A 71 99.120 2.133 2.364 1.00 0.00 C ATOM 1363 CG LEU A 71 99.067 1.410 3.710 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.430 2.295 4.764 1.00 0.00 C ATOM 1365 CD2 LEU A 71 98.296 0.105 3.581 1.00 0.00 C ATOM 0 H LEU A 71 101.594 2.186 2.422 1.00 0.00 H new ATOM 0 HA LEU A 71 99.714 0.394 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.501 3.142 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 71 98.104 2.233 1.981 1.00 0.00 H new ATOM 0 HG LEU A 71 100.087 1.183 4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.401 1.764 5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 71 99.016 3.207 4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.415 2.550 4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 71 98.267 -0.398 4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 71 97.279 0.315 3.251 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.789 -0.538 2.852 1.00 0.00 H new ATOM 1377 N ASP A 72 100.697 2.788 -0.601 1.00 0.00 N ATOM 1378 CA ASP A 72 100.558 3.411 -1.915 1.00 0.00 C ATOM 1379 C ASP A 72 100.302 2.367 -3.001 1.00 0.00 C ATOM 1380 O ASP A 72 100.889 1.284 -2.983 1.00 0.00 O ATOM 1381 CB ASP A 72 101.805 4.228 -2.257 1.00 0.00 C ATOM 1382 CG ASP A 72 101.795 4.705 -3.694 1.00 0.00 C ATOM 1383 OD1 ASP A 72 100.841 5.419 -4.085 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.740 4.361 -4.440 1.00 0.00 O ATOM 0 H ASP A 72 101.598 2.946 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 72 99.697 4.078 -1.875 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.869 5.088 -1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.694 3.622 -2.082 1.00 0.00 H new ATOM 1389 N GLN A 73 99.426 2.715 -3.942 1.00 0.00 N ATOM 1390 CA GLN A 73 99.018 1.821 -5.026 1.00 0.00 C ATOM 1391 C GLN A 73 98.444 0.514 -4.493 1.00 0.00 C ATOM 1392 O GLN A 73 98.985 -0.565 -4.728 1.00 0.00 O ATOM 1393 CB GLN A 73 100.166 1.543 -5.997 1.00 0.00 C ATOM 1394 CG GLN A 73 100.501 2.722 -6.892 1.00 0.00 C ATOM 1395 CD GLN A 73 101.520 2.365 -7.950 1.00 0.00 C ATOM 1396 OE1 GLN A 73 101.167 1.927 -9.047 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.787 2.559 -7.635 1.00 0.00 N ATOM 0 H GLN A 73 98.976 3.630 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 73 98.231 2.338 -5.575 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.053 1.265 -5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 73 99.906 0.687 -6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 73 99.591 3.081 -7.373 1.00 0.00 H new ATOM 0 HG3 GLN A 73 100.884 3.541 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 73 103.034 2.924 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.519 2.344 -8.312 1.00 0.00 H new ATOM 1406 N THR A 74 97.347 0.624 -3.769 1.00 0.00 N ATOM 1407 CA THR A 74 96.648 -0.540 -3.268 1.00 0.00 C ATOM 1408 C THR A 74 95.165 -0.429 -3.587 1.00 0.00 C ATOM 1409 O THR A 74 94.491 0.501 -3.143 1.00 0.00 O ATOM 1410 CB THR A 74 96.835 -0.700 -1.749 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.225 -0.630 -1.419 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.269 -2.029 -1.270 1.00 0.00 C ATOM 0 H THR A 74 96.920 1.514 -3.514 1.00 0.00 H new ATOM 0 HA THR A 74 97.069 -1.418 -3.758 1.00 0.00 H new ATOM 0 HB THR A 74 96.298 0.109 -1.253 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.452 0.285 -1.149 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.413 -2.119 -0.193 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.204 -2.075 -1.499 1.00 0.00 H new ATOM 0 HG23 THR A 74 96.784 -2.847 -1.774 1.00 0.00 H new ATOM 1420 N THR A 75 94.667 -1.356 -4.383 1.00 0.00 N ATOM 1421 CA THR A 75 93.259 -1.374 -4.724 1.00 0.00 C ATOM 1422 C THR A 75 92.507 -2.292 -3.770 1.00 0.00 C ATOM 1423 O THR A 75 92.767 -3.494 -3.719 1.00 0.00 O ATOM 1424 CB THR A 75 93.047 -1.839 -6.177 1.00 0.00 C ATOM 1425 OG1 THR A 75 93.938 -1.125 -7.043 1.00 0.00 O ATOM 1426 CG2 THR A 75 91.609 -1.606 -6.620 1.00 0.00 C ATOM 0 H THR A 75 95.216 -2.105 -4.805 1.00 0.00 H new ATOM 0 HA THR A 75 92.872 -0.359 -4.631 1.00 0.00 H new ATOM 0 HB THR A 75 93.254 -2.908 -6.231 1.00 0.00 H new ATOM 0 HG1 THR A 75 93.804 -1.422 -7.967 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.486 -1.943 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 75 90.934 -2.165 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.376 -0.543 -6.556 1.00 0.00 H new ATOM 1434 N LEU A 76 91.601 -1.720 -2.996 1.00 0.00 N ATOM 1435 CA LEU A 76 90.823 -2.490 -2.044 1.00 0.00 C ATOM 1436 C LEU A 76 89.489 -2.872 -2.662 1.00 0.00 C ATOM 1437 O LEU A 76 88.641 -2.013 -2.916 1.00 0.00 O ATOM 1438 CB LEU A 76 90.599 -1.695 -0.756 1.00 0.00 C ATOM 1439 CG LEU A 76 89.963 -2.488 0.388 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.888 -3.607 0.839 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.629 -1.572 1.554 1.00 0.00 C ATOM 0 H LEU A 76 91.387 -0.723 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 76 91.376 -3.395 -1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.558 -1.302 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 76 89.965 -0.838 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 76 89.036 -2.931 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.420 -4.160 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.078 -4.281 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.831 -3.183 1.184 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.178 -2.155 2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.541 -1.099 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.928 -0.805 1.225 1.00 0.00 H new ATOM 1453 N ASP A 77 89.320 -4.155 -2.921 1.00 0.00 N ATOM 1454 CA ASP A 77 88.103 -4.654 -3.544 1.00 0.00 C ATOM 1455 C ASP A 77 87.633 -5.900 -2.809 1.00 0.00 C ATOM 1456 O ASP A 77 88.441 -6.600 -2.199 1.00 0.00 O ATOM 1457 CB ASP A 77 88.361 -4.960 -5.024 1.00 0.00 C ATOM 1458 CG ASP A 77 87.086 -5.147 -5.820 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.239 -4.228 -5.812 1.00 0.00 O ATOM 1460 OD2 ASP A 77 86.939 -6.192 -6.488 1.00 0.00 O ATOM 0 H ASP A 77 90.011 -4.875 -2.710 1.00 0.00 H new ATOM 0 HA ASP A 77 87.323 -3.896 -3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 77 88.940 -4.147 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 77 88.968 -5.862 -5.103 1.00 0.00 H new ATOM 1465 N TYR A 78 86.338 -6.174 -2.845 1.00 0.00 N ATOM 1466 CA TYR A 78 85.800 -7.309 -2.112 1.00 0.00 C ATOM 1467 C TYR A 78 85.513 -8.476 -3.048 1.00 0.00 C ATOM 1468 O TYR A 78 84.883 -8.311 -4.093 1.00 0.00 O ATOM 1469 CB TYR A 78 84.537 -6.912 -1.331 1.00 0.00 C ATOM 1470 CG TYR A 78 83.302 -6.677 -2.178 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.170 -5.545 -2.971 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.257 -7.591 -2.166 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.034 -5.335 -3.729 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.118 -7.386 -2.917 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.011 -6.258 -3.696 1.00 0.00 C ATOM 1476 OH TYR A 78 79.872 -6.050 -4.441 1.00 0.00 O ATOM 0 H TYR A 78 85.648 -5.634 -3.367 1.00 0.00 H new ATOM 0 HA TYR A 78 86.554 -7.630 -1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.317 -7.695 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 78 84.749 -6.004 -0.766 1.00 0.00 H new ATOM 0 HD1 TYR A 78 83.968 -4.817 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.337 -8.479 -1.557 1.00 0.00 H new ATOM 0 HE1 TYR A 78 81.948 -4.452 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.315 -8.108 -2.893 1.00 0.00 H new ATOM 0 HH TYR A 78 79.251 -6.796 -4.305 1.00 0.00 H new ATOM 1486 N VAL A 79 85.998 -9.650 -2.677 1.00 0.00 N ATOM 1487 CA VAL A 79 85.794 -10.851 -3.474 1.00 0.00 C ATOM 1488 C VAL A 79 85.399 -12.024 -2.588 1.00 0.00 C ATOM 1489 O VAL A 79 85.663 -12.025 -1.380 1.00 0.00 O ATOM 1490 CB VAL A 79 87.053 -11.236 -4.283 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.373 -10.181 -5.329 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.242 -11.450 -3.358 1.00 0.00 C ATOM 0 H VAL A 79 86.538 -9.798 -1.825 1.00 0.00 H new ATOM 0 HA VAL A 79 84.990 -10.626 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 79 86.846 -12.173 -4.800 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.263 -10.477 -5.884 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.533 -10.084 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.553 -9.225 -4.838 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.118 -11.720 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.445 -10.531 -2.807 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.016 -12.252 -2.655 1.00 0.00 H new ATOM 1502 N GLU A 80 84.770 -13.017 -3.187 1.00 0.00 N ATOM 1503 CA GLU A 80 84.347 -14.198 -2.460 1.00 0.00 C ATOM 1504 C GLU A 80 85.509 -15.174 -2.307 1.00 0.00 C ATOM 1505 O GLU A 80 85.833 -15.933 -3.221 1.00 0.00 O ATOM 1506 CB GLU A 80 83.166 -14.859 -3.174 1.00 0.00 C ATOM 1507 CG GLU A 80 82.673 -16.132 -2.511 1.00 0.00 C ATOM 1508 CD GLU A 80 81.446 -16.697 -3.189 1.00 0.00 C ATOM 1509 OE1 GLU A 80 81.510 -16.986 -4.404 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.404 -16.845 -2.518 1.00 0.00 O ATOM 0 H GLU A 80 84.540 -13.029 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 80 84.023 -13.902 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.342 -14.147 -3.226 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.456 -15.086 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 80 83.468 -16.877 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.445 -15.929 -1.465 1.00 0.00 H new ATOM 1517 N LEU A 81 86.164 -15.118 -1.158 1.00 0.00 N ATOM 1518 CA LEU A 81 87.235 -16.053 -0.847 1.00 0.00 C ATOM 1519 C LEU A 81 86.646 -17.294 -0.199 1.00 0.00 C ATOM 1520 O LEU A 81 87.166 -18.402 -0.342 1.00 0.00 O ATOM 1521 CB LEU A 81 88.267 -15.407 0.082 1.00 0.00 C ATOM 1522 CG LEU A 81 88.938 -14.147 -0.469 1.00 0.00 C ATOM 1523 CD1 LEU A 81 89.971 -13.622 0.514 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.584 -14.429 -1.818 1.00 0.00 C ATOM 0 H LEU A 81 85.973 -14.435 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 81 87.742 -16.332 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.779 -15.157 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.040 -16.142 0.308 1.00 0.00 H new ATOM 0 HG LEU A 81 88.172 -13.384 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 81 90.439 -12.726 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 81 89.484 -13.380 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 81 90.732 -14.384 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.056 -13.520 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.337 -15.209 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.822 -14.760 -2.524 1.00 0.00 H new ATOM 1536 N GLU A 82 85.546 -17.088 0.505 1.00 0.00 N ATOM 1537 CA GLU A 82 84.804 -18.167 1.129 1.00 0.00 C ATOM 1538 C GLU A 82 83.343 -18.032 0.726 1.00 0.00 C ATOM 1539 O GLU A 82 82.855 -16.913 0.575 1.00 0.00 O ATOM 1540 CB GLU A 82 84.947 -18.103 2.654 1.00 0.00 C ATOM 1541 CG GLU A 82 86.388 -18.118 3.138 1.00 0.00 C ATOM 1542 CD GLU A 82 86.502 -17.894 4.630 1.00 0.00 C ATOM 1543 OE1 GLU A 82 86.357 -16.735 5.071 1.00 0.00 O ATOM 1544 OE2 GLU A 82 86.743 -18.870 5.366 1.00 0.00 O ATOM 0 H GLU A 82 85.142 -16.164 0.660 1.00 0.00 H new ATOM 0 HA GLU A 82 85.195 -19.129 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 82 84.461 -17.197 3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 82 84.417 -18.947 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 82 86.844 -19.075 2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 82 86.952 -17.346 2.614 1.00 0.00 H new ATOM 1551 N PRO A 83 82.639 -19.153 0.518 1.00 0.00 N ATOM 1552 CA PRO A 83 81.241 -19.150 0.059 1.00 0.00 C ATOM 1553 C PRO A 83 80.344 -18.203 0.855 1.00 0.00 C ATOM 1554 O PRO A 83 80.073 -18.427 2.037 1.00 0.00 O ATOM 1555 CB PRO A 83 80.806 -20.599 0.266 1.00 0.00 C ATOM 1556 CG PRO A 83 82.062 -21.381 0.120 1.00 0.00 C ATOM 1557 CD PRO A 83 83.149 -20.524 0.706 1.00 0.00 C ATOM 0 HA PRO A 83 81.158 -18.798 -0.969 1.00 0.00 H new ATOM 0 HB2 PRO A 83 80.359 -20.744 1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 83 80.061 -20.900 -0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 83 81.992 -22.335 0.643 1.00 0.00 H new ATOM 0 HG3 PRO A 83 82.263 -21.606 -0.927 1.00 0.00 H new ATOM 0 HD2 PRO A 83 83.316 -20.750 1.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 84.099 -20.673 0.194 1.00 0.00 H new ATOM 1565 N GLY A 84 79.903 -17.132 0.200 1.00 0.00 N ATOM 1566 CA GLY A 84 79.008 -16.181 0.832 1.00 0.00 C ATOM 1567 C GLY A 84 79.742 -15.121 1.636 1.00 0.00 C ATOM 1568 O GLY A 84 79.127 -14.180 2.139 1.00 0.00 O ATOM 0 H GLY A 84 80.152 -16.906 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.403 -15.695 0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 84 78.322 -16.717 1.488 1.00 0.00 H new ATOM 1572 N GLN A 85 81.053 -15.265 1.747 1.00 0.00 N ATOM 1573 CA GLN A 85 81.861 -14.352 2.543 1.00 0.00 C ATOM 1574 C GLN A 85 82.765 -13.510 1.655 1.00 0.00 C ATOM 1575 O GLN A 85 83.779 -13.989 1.135 1.00 0.00 O ATOM 1576 CB GLN A 85 82.701 -15.129 3.554 1.00 0.00 C ATOM 1577 CG GLN A 85 81.878 -15.851 4.610 1.00 0.00 C ATOM 1578 CD GLN A 85 81.102 -14.894 5.495 1.00 0.00 C ATOM 1579 OE1 GLN A 85 81.531 -13.764 5.741 1.00 0.00 O ATOM 1580 NE2 GLN A 85 79.957 -15.341 5.983 1.00 0.00 N ATOM 0 H GLN A 85 81.583 -16.009 1.294 1.00 0.00 H new ATOM 0 HA GLN A 85 81.186 -13.685 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 85 83.311 -15.858 3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 85 83.386 -14.440 4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 85 81.183 -16.533 4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 85 82.539 -16.458 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 85 79.638 -16.283 5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 85 79.393 -14.744 6.588 1.00 0.00 H new ATOM 1589 N PHE A 86 82.389 -12.255 1.484 1.00 0.00 N ATOM 1590 CA PHE A 86 83.150 -11.333 0.660 1.00 0.00 C ATOM 1591 C PHE A 86 84.223 -10.643 1.487 1.00 0.00 C ATOM 1592 O PHE A 86 83.923 -9.849 2.380 1.00 0.00 O ATOM 1593 CB PHE A 86 82.225 -10.295 0.026 1.00 0.00 C ATOM 1594 CG PHE A 86 81.196 -10.889 -0.891 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.505 -11.164 -2.214 1.00 0.00 C ATOM 1596 CD2 PHE A 86 79.922 -11.175 -0.430 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.561 -11.713 -3.059 1.00 0.00 C ATOM 1598 CE2 PHE A 86 78.974 -11.724 -1.271 1.00 0.00 C ATOM 1599 CZ PHE A 86 79.294 -11.993 -2.587 1.00 0.00 C ATOM 0 H PHE A 86 81.555 -11.849 1.908 1.00 0.00 H new ATOM 0 HA PHE A 86 83.633 -11.901 -0.135 1.00 0.00 H new ATOM 0 HB2 PHE A 86 81.719 -9.741 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.826 -9.577 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.495 -10.947 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 86 79.667 -10.966 0.599 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.813 -11.923 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 86 77.984 -11.943 -0.900 1.00 0.00 H new ATOM 0 HZ PHE A 86 78.554 -12.422 -3.246 1.00 0.00 H new ATOM 1609 N HIS A 87 85.472 -10.955 1.186 1.00 0.00 N ATOM 1610 CA HIS A 87 86.600 -10.382 1.902 1.00 0.00 C ATOM 1611 C HIS A 87 87.205 -9.242 1.104 1.00 0.00 C ATOM 1612 O HIS A 87 87.245 -9.293 -0.126 1.00 0.00 O ATOM 1613 CB HIS A 87 87.685 -11.431 2.160 1.00 0.00 C ATOM 1614 CG HIS A 87 87.319 -12.479 3.163 1.00 0.00 C ATOM 1615 ND1 HIS A 87 87.651 -12.386 4.495 1.00 0.00 N ATOM 1616 CD2 HIS A 87 86.686 -13.666 3.018 1.00 0.00 C ATOM 1617 CE1 HIS A 87 87.242 -13.465 5.126 1.00 0.00 C ATOM 1618 NE2 HIS A 87 86.653 -14.259 4.254 1.00 0.00 N ATOM 0 H HIS A 87 85.732 -11.606 0.445 1.00 0.00 H new ATOM 0 HA HIS A 87 86.227 -10.013 2.858 1.00 0.00 H new ATOM 0 HB2 HIS A 87 87.929 -11.920 1.217 1.00 0.00 H new ATOM 0 HB3 HIS A 87 88.588 -10.923 2.499 1.00 0.00 H new ATOM 0 HD2 HIS A 87 86.283 -14.070 2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 87 87.367 -13.666 6.180 1.00 0.00 H new ATOM 0 HE2 HIS A 87 86.240 -15.167 4.465 1.00 0.00 H new ATOM 1627 N PHE A 88 87.671 -8.221 1.802 1.00 0.00 N ATOM 1628 CA PHE A 88 88.366 -7.120 1.163 1.00 0.00 C ATOM 1629 C PHE A 88 89.816 -7.507 0.929 1.00 0.00 C ATOM 1630 O PHE A 88 90.528 -7.861 1.869 1.00 0.00 O ATOM 1631 CB PHE A 88 88.302 -5.860 2.030 1.00 0.00 C ATOM 1632 CG PHE A 88 86.906 -5.416 2.359 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.170 -4.672 1.452 1.00 0.00 C ATOM 1634 CD2 PHE A 88 86.334 -5.739 3.580 1.00 0.00 C ATOM 1635 CE1 PHE A 88 84.888 -4.258 1.756 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.053 -5.328 3.888 1.00 0.00 C ATOM 1637 CZ PHE A 88 84.330 -4.587 2.976 1.00 0.00 C ATOM 0 H PHE A 88 87.580 -8.133 2.814 1.00 0.00 H new ATOM 0 HA PHE A 88 87.882 -6.907 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 88 88.843 -6.042 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 88 88.818 -5.050 1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 88 86.603 -4.413 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 88 86.897 -6.318 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.323 -3.678 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 88 84.617 -5.586 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.328 -4.264 3.216 1.00 0.00 H new ATOM 1647 N ILE A 89 90.251 -7.459 -0.316 1.00 0.00 N ATOM 1648 CA ILE A 89 91.613 -7.832 -0.651 1.00 0.00 C ATOM 1649 C ILE A 89 92.434 -6.608 -1.021 1.00 0.00 C ATOM 1650 O ILE A 89 91.934 -5.681 -1.668 1.00 0.00 O ATOM 1651 CB ILE A 89 91.671 -8.859 -1.805 1.00 0.00 C ATOM 1652 CG1 ILE A 89 90.973 -8.313 -3.054 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.047 -10.177 -1.367 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.085 -9.218 -4.264 1.00 0.00 C ATOM 0 H ILE A 89 89.683 -7.166 -1.111 1.00 0.00 H new ATOM 0 HA ILE A 89 92.036 -8.299 0.239 1.00 0.00 H new ATOM 0 HB ILE A 89 92.716 -9.039 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 89 89.919 -8.153 -2.828 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.398 -7.340 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.094 -10.892 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.594 -10.572 -0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.006 -10.012 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.566 -8.763 -5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.136 -9.359 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.634 -10.184 -4.039 1.00 0.00 H new ATOM 1666 N PHE A 90 93.680 -6.602 -0.583 1.00 0.00 N ATOM 1667 CA PHE A 90 94.592 -5.511 -0.877 1.00 0.00 C ATOM 1668 C PHE A 90 95.374 -5.815 -2.142 1.00 0.00 C ATOM 1669 O PHE A 90 96.370 -6.537 -2.107 1.00 0.00 O ATOM 1670 CB PHE A 90 95.561 -5.286 0.289 1.00 0.00 C ATOM 1671 CG PHE A 90 94.893 -4.902 1.578 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.645 -3.573 1.876 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.518 -5.872 2.497 1.00 0.00 C ATOM 1674 CE1 PHE A 90 94.036 -3.215 3.063 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.909 -5.520 3.686 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.668 -4.191 3.968 1.00 0.00 C ATOM 0 H PHE A 90 94.086 -7.347 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 90 94.006 -4.603 -1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.138 -6.197 0.449 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.269 -4.505 0.013 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.931 -2.806 1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.704 -6.913 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.848 -2.174 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.622 -6.284 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 90 93.191 -3.914 4.897 1.00 0.00 H new ATOM 1686 N LEU A 91 94.909 -5.292 -3.264 1.00 0.00 N ATOM 1687 CA LEU A 91 95.614 -5.464 -4.520 1.00 0.00 C ATOM 1688 C LEU A 91 96.794 -4.513 -4.577 1.00 0.00 C ATOM 1689 O LEU A 91 96.670 -3.361 -4.995 1.00 0.00 O ATOM 1690 CB LEU A 91 94.677 -5.244 -5.704 1.00 0.00 C ATOM 1691 CG LEU A 91 93.529 -6.246 -5.791 1.00 0.00 C ATOM 1692 CD1 LEU A 91 92.546 -5.843 -6.878 1.00 0.00 C ATOM 1693 CD2 LEU A 91 94.060 -7.650 -6.047 1.00 0.00 C ATOM 0 H LEU A 91 94.049 -4.747 -3.330 1.00 0.00 H new ATOM 0 HA LEU A 91 95.984 -6.487 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 91 94.262 -4.238 -5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 91 95.257 -5.293 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 91 93.004 -6.246 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 91 91.735 -6.570 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 91 92.137 -4.858 -6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 91 93.059 -5.811 -7.839 1.00 0.00 H new ATOM 0 HD21 LEU A 91 93.226 -8.349 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 91 94.612 -7.664 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 91 94.722 -7.943 -5.232 1.00 0.00 H new ATOM 1705 N ASN A 92 97.921 -5.003 -4.100 1.00 0.00 N ATOM 1706 CA ASN A 92 99.141 -4.220 -4.016 1.00 0.00 C ATOM 1707 C ASN A 92 100.261 -4.925 -4.776 1.00 0.00 C ATOM 1708 O ASN A 92 100.516 -6.107 -4.559 1.00 0.00 O ATOM 1709 CB ASN A 92 99.524 -4.028 -2.544 1.00 0.00 C ATOM 1710 CG ASN A 92 100.753 -3.165 -2.360 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.877 -3.662 -2.360 1.00 0.00 O ATOM 1712 ND2 ASN A 92 100.552 -1.872 -2.176 1.00 0.00 N ATOM 0 H ASN A 92 98.018 -5.959 -3.758 1.00 0.00 H new ATOM 0 HA ASN A 92 98.981 -3.241 -4.468 1.00 0.00 H new ATOM 0 HB2 ASN A 92 98.687 -3.576 -2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 92 99.700 -5.003 -2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.346 -1.249 -2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 92 99.603 -1.497 -2.183 1.00 0.00 H new ATOM 1719 N PRO A 93 100.941 -4.210 -5.687 1.00 0.00 N ATOM 1720 CA PRO A 93 101.971 -4.800 -6.548 1.00 0.00 C ATOM 1721 C PRO A 93 103.301 -5.042 -5.833 1.00 0.00 C ATOM 1722 O PRO A 93 104.241 -5.577 -6.423 1.00 0.00 O ATOM 1723 CB PRO A 93 102.145 -3.747 -7.643 1.00 0.00 C ATOM 1724 CG PRO A 93 101.815 -2.457 -6.975 1.00 0.00 C ATOM 1725 CD PRO A 93 100.752 -2.772 -5.956 1.00 0.00 C ATOM 0 HA PRO A 93 101.674 -5.786 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 93 103.163 -3.743 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 93 101.482 -3.938 -8.487 1.00 0.00 H new ATOM 0 HG2 PRO A 93 102.697 -2.029 -6.498 1.00 0.00 H new ATOM 0 HG3 PRO A 93 101.456 -1.725 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 93 100.875 -2.176 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 93 99.754 -2.564 -6.341 1.00 0.00 H new ATOM 1733 N ARG A 94 103.386 -4.650 -4.570 1.00 0.00 N ATOM 1734 CA ARG A 94 104.622 -4.807 -3.816 1.00 0.00 C ATOM 1735 C ARG A 94 104.582 -6.071 -2.967 1.00 0.00 C ATOM 1736 O ARG A 94 105.588 -6.771 -2.845 1.00 0.00 O ATOM 1737 CB ARG A 94 104.883 -3.575 -2.948 1.00 0.00 C ATOM 1738 CG ARG A 94 105.017 -2.301 -3.762 1.00 0.00 C ATOM 1739 CD ARG A 94 105.200 -1.076 -2.886 1.00 0.00 C ATOM 1740 NE ARG A 94 105.225 0.147 -3.686 1.00 0.00 N ATOM 1741 CZ ARG A 94 104.439 1.199 -3.463 1.00 0.00 C ATOM 1742 NH1 ARG A 94 103.634 1.216 -2.407 1.00 0.00 N ATOM 1743 NH2 ARG A 94 104.464 2.236 -4.295 1.00 0.00 N ATOM 0 H ARG A 94 102.620 -4.224 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 94 105.444 -4.904 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 94 104.068 -3.460 -2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 94 105.794 -3.729 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 94 105.867 -2.392 -4.438 1.00 0.00 H new ATOM 0 HG3 ARG A 94 104.129 -2.173 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 94 104.390 -1.021 -2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 94 106.129 -1.164 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 94 105.885 0.198 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 94 103.617 0.423 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 94 103.033 2.022 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 94 105.085 2.226 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 94 103.862 3.042 -4.124 1.00 0.00 H new ATOM 1757 N ASP A 95 103.420 -6.367 -2.396 1.00 0.00 N ATOM 1758 CA ASP A 95 103.244 -7.592 -1.623 1.00 0.00 C ATOM 1759 C ASP A 95 102.344 -8.564 -2.367 1.00 0.00 C ATOM 1760 O ASP A 95 101.130 -8.372 -2.442 1.00 0.00 O ATOM 1761 CB ASP A 95 102.649 -7.305 -0.241 1.00 0.00 C ATOM 1762 CG ASP A 95 102.514 -8.566 0.603 1.00 0.00 C ATOM 1763 OD1 ASP A 95 103.536 -9.015 1.169 1.00 0.00 O ATOM 1764 OD2 ASP A 95 101.390 -9.110 0.706 1.00 0.00 O ATOM 0 H ASP A 95 102.589 -5.779 -2.453 1.00 0.00 H new ATOM 0 HA ASP A 95 104.230 -8.036 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 95 103.280 -6.586 0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 95 101.669 -6.842 -0.359 1.00 0.00 H new ATOM 1769 N PRO A 96 102.931 -9.609 -2.956 1.00 0.00 N ATOM 1770 CA PRO A 96 102.183 -10.652 -3.630 1.00 0.00 C ATOM 1771 C PRO A 96 101.640 -11.661 -2.622 1.00 0.00 C ATOM 1772 O PRO A 96 102.149 -12.776 -2.500 1.00 0.00 O ATOM 1773 CB PRO A 96 103.213 -11.300 -4.568 1.00 0.00 C ATOM 1774 CG PRO A 96 104.515 -10.600 -4.314 1.00 0.00 C ATOM 1775 CD PRO A 96 104.367 -9.866 -3.012 1.00 0.00 C ATOM 0 HA PRO A 96 101.315 -10.272 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 96 103.301 -12.368 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 96 102.911 -11.193 -5.610 1.00 0.00 H new ATOM 0 HG2 PRO A 96 105.335 -11.316 -4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 96 104.746 -9.908 -5.124 1.00 0.00 H new ATOM 0 HD2 PRO A 96 104.705 -10.466 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 96 104.945 -8.942 -2.999 1.00 0.00 H new ATOM 1783 N THR A 97 100.609 -11.242 -1.900 1.00 0.00 N ATOM 1784 CA THR A 97 100.039 -12.010 -0.798 1.00 0.00 C ATOM 1785 C THR A 97 99.684 -13.448 -1.197 1.00 0.00 C ATOM 1786 O THR A 97 99.801 -14.371 -0.390 1.00 0.00 O ATOM 1787 CB THR A 97 98.776 -11.305 -0.271 1.00 0.00 C ATOM 1788 OG1 THR A 97 98.984 -9.885 -0.256 1.00 0.00 O ATOM 1789 CG2 THR A 97 98.427 -11.780 1.131 1.00 0.00 C ATOM 0 H THR A 97 100.140 -10.351 -2.063 1.00 0.00 H new ATOM 0 HA THR A 97 100.802 -12.064 -0.021 1.00 0.00 H new ATOM 0 HB THR A 97 97.948 -11.552 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 97 99.832 -9.683 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 97 97.531 -11.265 1.477 1.00 0.00 H new ATOM 0 HG22 THR A 97 98.245 -12.855 1.116 1.00 0.00 H new ATOM 0 HG23 THR A 97 99.255 -11.561 1.806 1.00 0.00 H new ATOM 1797 N TYR A 98 99.262 -13.644 -2.442 1.00 0.00 N ATOM 1798 CA TYR A 98 98.824 -14.963 -2.889 1.00 0.00 C ATOM 1799 C TYR A 98 99.934 -15.755 -3.572 1.00 0.00 C ATOM 1800 O TYR A 98 99.720 -16.897 -3.974 1.00 0.00 O ATOM 1801 CB TYR A 98 97.612 -14.850 -3.814 1.00 0.00 C ATOM 1802 CG TYR A 98 96.300 -14.830 -3.065 1.00 0.00 C ATOM 1803 CD1 TYR A 98 95.848 -15.968 -2.411 1.00 0.00 C ATOM 1804 CD2 TYR A 98 95.518 -13.685 -3.006 1.00 0.00 C ATOM 1805 CE1 TYR A 98 94.657 -15.967 -1.718 1.00 0.00 C ATOM 1806 CE2 TYR A 98 94.320 -13.675 -2.313 1.00 0.00 C ATOM 1807 CZ TYR A 98 93.896 -14.822 -1.671 1.00 0.00 C ATOM 1808 OH TYR A 98 92.709 -14.824 -0.977 1.00 0.00 O ATOM 0 H TYR A 98 99.214 -12.915 -3.154 1.00 0.00 H new ATOM 0 HA TYR A 98 98.541 -15.513 -1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 98 97.699 -13.941 -4.409 1.00 0.00 H new ATOM 0 HB3 TYR A 98 97.614 -15.688 -4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 98 96.440 -16.870 -2.446 1.00 0.00 H new ATOM 0 HD2 TYR A 98 95.849 -12.788 -3.508 1.00 0.00 H new ATOM 0 HE1 TYR A 98 94.322 -16.862 -1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 98 93.721 -12.777 -2.275 1.00 0.00 H new ATOM 0 HH TYR A 98 92.292 -13.939 -1.039 1.00 0.00 H new ATOM 1818 N ARG A 99 101.117 -15.170 -3.694 1.00 0.00 N ATOM 1819 CA ARG A 99 102.249 -15.880 -4.278 1.00 0.00 C ATOM 1820 C ARG A 99 103.546 -15.146 -3.980 1.00 0.00 C ATOM 1821 O ARG A 99 103.903 -14.200 -4.680 1.00 0.00 O ATOM 1822 CB ARG A 99 102.092 -16.044 -5.793 1.00 0.00 C ATOM 1823 CG ARG A 99 102.931 -17.181 -6.361 1.00 0.00 C ATOM 1824 CD ARG A 99 102.942 -17.177 -7.881 1.00 0.00 C ATOM 1825 NE ARG A 99 103.925 -16.235 -8.419 1.00 0.00 N ATOM 1826 CZ ARG A 99 103.930 -15.795 -9.677 1.00 0.00 C ATOM 1827 NH1 ARG A 99 102.964 -16.146 -10.519 1.00 0.00 N ATOM 1828 NH2 ARG A 99 104.904 -14.994 -10.096 1.00 0.00 N ATOM 0 H ARG A 99 101.319 -14.214 -3.400 1.00 0.00 H new ATOM 0 HA ARG A 99 102.278 -16.872 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 99 101.042 -16.223 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 99 102.373 -15.112 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 99 103.953 -17.097 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 99 102.540 -18.134 -6.004 1.00 0.00 H new ATOM 0 HD2 ARG A 99 103.164 -18.180 -8.245 1.00 0.00 H new ATOM 0 HD3 ARG A 99 101.950 -16.916 -8.250 1.00 0.00 H new ATOM 0 HE ARG A 99 104.653 -15.894 -7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 99 102.210 -16.757 -10.204 1.00 0.00 H new ATOM 0 HH12 ARG A 99 102.976 -15.804 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 99 105.647 -14.716 -9.455 1.00 0.00 H new ATOM 0 HH22 ARG A 99 104.908 -14.657 -11.059 1.00 0.00 H new ATOM 1842 N PRO A 100 104.258 -15.565 -2.926 1.00 0.00 N ATOM 1843 CA PRO A 100 105.543 -14.967 -2.544 1.00 0.00 C ATOM 1844 C PRO A 100 106.592 -15.127 -3.648 1.00 0.00 C ATOM 1845 O PRO A 100 106.329 -15.772 -4.665 1.00 0.00 O ATOM 1846 CB PRO A 100 105.949 -15.760 -1.289 1.00 0.00 C ATOM 1847 CG PRO A 100 104.692 -16.387 -0.798 1.00 0.00 C ATOM 1848 CD PRO A 100 103.868 -16.657 -2.021 1.00 0.00 C ATOM 0 HA PRO A 100 105.466 -13.894 -2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 100 106.699 -16.515 -1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 100 106.383 -15.105 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 100 104.901 -17.309 -0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 100 104.167 -15.724 -0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 100 104.088 -17.635 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 100 102.801 -16.638 -1.801 1.00 0.00 H new ATOM 1856 N PRO A 101 107.794 -14.535 -3.477 1.00 0.00 N ATOM 1857 CA PRO A 101 108.910 -14.694 -4.429 1.00 0.00 C ATOM 1858 C PRO A 101 109.465 -16.123 -4.442 1.00 0.00 C ATOM 1859 O PRO A 101 110.675 -16.337 -4.368 1.00 0.00 O ATOM 1860 CB PRO A 101 109.975 -13.715 -3.908 1.00 0.00 C ATOM 1861 CG PRO A 101 109.257 -12.812 -2.961 1.00 0.00 C ATOM 1862 CD PRO A 101 108.154 -13.635 -2.371 1.00 0.00 C ATOM 0 HA PRO A 101 108.597 -14.497 -5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 101 110.784 -14.246 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 101 110.423 -13.150 -4.726 1.00 0.00 H new ATOM 0 HG2 PRO A 101 109.929 -12.445 -2.185 1.00 0.00 H new ATOM 0 HG3 PRO A 101 108.860 -11.939 -3.478 1.00 0.00 H new ATOM 0 HD2 PRO A 101 108.487 -14.187 -1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 101 107.311 -13.018 -2.060 1.00 0.00 H new ATOM 1870 N SER A 102 108.567 -17.087 -4.555 1.00 0.00 N ATOM 1871 CA SER A 102 108.910 -18.494 -4.537 1.00 0.00 C ATOM 1872 C SER A 102 107.746 -19.313 -5.090 1.00 0.00 C ATOM 1873 O SER A 102 106.589 -18.894 -5.005 1.00 0.00 O ATOM 1874 CB SER A 102 109.250 -18.924 -3.107 1.00 0.00 C ATOM 1875 OG SER A 102 108.378 -18.304 -2.172 1.00 0.00 O ATOM 0 H SER A 102 107.568 -16.910 -4.663 1.00 0.00 H new ATOM 0 HA SER A 102 109.784 -18.667 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 102 109.172 -20.008 -3.020 1.00 0.00 H new ATOM 0 HB3 SER A 102 110.282 -18.659 -2.879 1.00 0.00 H new ATOM 0 HG SER A 102 108.611 -18.594 -1.265 1.00 0.00 H new ATOM 1881 N GLY A 103 108.051 -20.466 -5.661 1.00 0.00 N ATOM 1882 CA GLY A 103 107.020 -21.301 -6.245 1.00 0.00 C ATOM 1883 C GLY A 103 107.377 -22.768 -6.175 1.00 0.00 C ATOM 1884 O GLY A 103 106.899 -23.491 -5.299 1.00 0.00 O ATOM 0 H GLY A 103 108.997 -20.841 -5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 103 106.077 -21.131 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 103 106.866 -21.014 -7.285 1.00 0.00 H new ATOM 1888 N GLY A 104 108.215 -23.208 -7.098 1.00 0.00 N ATOM 1889 CA GLY A 104 108.688 -24.573 -7.089 1.00 0.00 C ATOM 1890 C GLY A 104 110.190 -24.632 -7.215 1.00 0.00 C ATOM 1891 O GLY A 104 110.881 -24.623 -6.177 1.00 0.00 O ATOM 1892 OXT GLY A 104 110.692 -24.656 -8.358 1.00 0.00 O ATOM 0 H GLY A 104 108.579 -22.637 -7.861 1.00 0.00 H new ATOM 0 HA2 GLY A 104 108.379 -25.061 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 104 108.230 -25.125 -7.910 1.00 0.00 H new TER 1896 GLY A 104