USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 862 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 Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -128:sc= 1.27 USER MOD Single : A 6 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A -1 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A -2 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.29) USER MOD Single : A -3 HIS : no HD1:sc= -0.594 X(o=-0.59,f=-0.82) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc= -0.0225 X(o=-0.022,f=-0.088) USER MOD Single : A -8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -8 MET N :NH3+ 129:sc= 0.0731 (180deg=0) USER MOD Single : A 13 CYS SG : rot -31:sc= -1.02 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.061) USER MOD Single : A 17 THR OG1 : rot 83:sc= 0.456 USER MOD Single : A 20 TYR OH : rot 19:sc= 0.465 USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.0444 F(o=-0.8,f=-0.044) USER MOD Single : A 26 SER OG : rot -45:sc= 0.861 USER MOD Single : A 29 SER OG : rot 39:sc= 0.837 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -88:sc= 0.242! USER MOD Single : A 39 CYS SG : rot 170:sc= -0.808 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.186 K(o=-0.19,f=-0.81) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 80:sc= 0.877 USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0396) USER MOD Single : A 73 ASN :FLIP amide:sc= 1.15 F(o=-0.067,f=1.1) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.776 K(o=-0.78,f=-2.3) USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.204 F(o=-1,f=-0.2) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.0213 (180deg=-0.288) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -169:sc= -1.72! (180deg=-1.76!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -8 10.471 7.035 -7.324 1.00 0.00 N ATOM 2 CA MET A -8 10.430 6.251 -6.061 1.00 0.00 C ATOM 3 C MET A -8 11.746 6.364 -5.299 1.00 0.00 C ATOM 4 O MET A -8 12.767 6.765 -5.858 1.00 0.00 O ATOM 5 CB MET A -8 10.144 4.788 -6.405 1.00 0.00 C ATOM 6 CG MET A -8 8.661 4.471 -6.527 1.00 0.00 C ATOM 7 SD MET A -8 8.316 2.706 -6.402 1.00 0.00 S ATOM 8 CE MET A -8 6.951 2.711 -5.243 1.00 0.00 C ATOM 0 H1 MET A -8 10.170 6.433 -8.116 1.00 0.00 H new ATOM 0 H2 MET A -8 9.831 7.851 -7.247 1.00 0.00 H new ATOM 0 H3 MET A -8 11.441 7.370 -7.493 1.00 0.00 H new ATOM 0 HA MET A -8 9.644 6.648 -5.419 1.00 0.00 H new ATOM 0 HB2 MET A -8 10.639 4.541 -7.344 1.00 0.00 H new ATOM 0 HB3 MET A -8 10.582 4.150 -5.637 1.00 0.00 H new ATOM 0 HG2 MET A -8 8.115 5.000 -5.746 1.00 0.00 H new ATOM 0 HG3 MET A -8 8.291 4.843 -7.483 1.00 0.00 H new ATOM 0 HE1 MET A -8 6.623 1.687 -5.062 1.00 0.00 H new ATOM 0 HE2 MET A -8 7.273 3.160 -4.304 1.00 0.00 H new ATOM 0 HE3 MET A -8 6.124 3.289 -5.657 1.00 0.00 H new ATOM 20 N GLY A -7 11.714 6.007 -4.019 1.00 0.00 N ATOM 21 CA GLY A -7 12.909 6.075 -3.200 1.00 0.00 C ATOM 22 C GLY A -7 12.891 5.072 -2.062 1.00 0.00 C ATOM 23 O GLY A -7 11.905 4.970 -1.333 1.00 0.00 O ATOM 0 H GLY A -7 10.881 5.672 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A -7 13.784 5.896 -3.824 1.00 0.00 H new ATOM 0 HA3 GLY A -7 13.009 7.081 -2.792 1.00 0.00 H new ATOM 27 N HIS A -6 13.984 4.332 -1.910 1.00 0.00 N ATOM 28 CA HIS A -6 14.090 3.334 -0.852 1.00 0.00 C ATOM 29 C HIS A -6 15.120 3.752 0.190 1.00 0.00 C ATOM 30 O HIS A -6 16.026 4.535 -0.096 1.00 0.00 O ATOM 31 CB HIS A -6 14.470 1.974 -1.443 1.00 0.00 C ATOM 32 CG HIS A -6 15.807 1.968 -2.118 1.00 0.00 C ATOM 33 ND1 HIS A -6 16.971 1.598 -1.477 1.00 0.00 N ATOM 34 CD2 HIS A -6 16.161 2.288 -3.385 1.00 0.00 C ATOM 35 CE1 HIS A -6 17.983 1.693 -2.321 1.00 0.00 C ATOM 36 NE2 HIS A -6 17.519 2.108 -3.484 1.00 0.00 N ATOM 0 H HIS A -6 14.809 4.404 -2.506 1.00 0.00 H new ATOM 0 HA HIS A -6 13.119 3.254 -0.364 1.00 0.00 H new ATOM 0 HB2 HIS A -6 14.470 1.228 -0.648 1.00 0.00 H new ATOM 0 HB3 HIS A -6 13.708 1.673 -2.162 1.00 0.00 H new ATOM 0 HD2 HIS A -6 15.500 2.622 -4.171 1.00 0.00 H new ATOM 0 HE1 HIS A -6 19.015 1.469 -2.097 1.00 0.00 H new ATOM 0 HE2 HIS A -6 18.078 2.269 -4.322 1.00 0.00 H new ATOM 45 N HIS A -5 14.976 3.226 1.403 1.00 0.00 N ATOM 46 CA HIS A -5 15.895 3.543 2.489 1.00 0.00 C ATOM 47 C HIS A -5 16.270 2.288 3.269 1.00 0.00 C ATOM 48 O HIS A -5 17.445 2.044 3.544 1.00 0.00 O ATOM 49 CB HIS A -5 15.268 4.575 3.430 1.00 0.00 C ATOM 50 CG HIS A -5 16.219 5.648 3.861 1.00 0.00 C ATOM 51 ND1 HIS A -5 17.417 5.384 4.492 1.00 0.00 N ATOM 52 CD2 HIS A -5 16.145 6.995 3.750 1.00 0.00 C ATOM 53 CE1 HIS A -5 18.037 6.522 4.750 1.00 0.00 C ATOM 54 NE2 HIS A -5 17.286 7.514 4.310 1.00 0.00 N ATOM 0 H HIS A -5 14.231 2.578 1.658 1.00 0.00 H new ATOM 0 HA HIS A -5 16.802 3.962 2.053 1.00 0.00 H new ATOM 0 HB2 HIS A -5 14.414 5.036 2.933 1.00 0.00 H new ATOM 0 HB3 HIS A -5 14.885 4.064 4.313 1.00 0.00 H new ATOM 0 HD2 HIS A -5 15.338 7.557 3.304 1.00 0.00 H new ATOM 0 HE1 HIS A -5 18.995 6.623 5.238 1.00 0.00 H new ATOM 0 HE2 HIS A -5 17.516 8.506 4.375 1.00 0.00 H new ATOM 63 N HIS A -4 15.264 1.493 3.619 1.00 0.00 N ATOM 64 CA HIS A -4 15.488 0.262 4.367 1.00 0.00 C ATOM 65 C HIS A -4 15.784 -0.901 3.426 1.00 0.00 C ATOM 66 O HIS A -4 16.531 -1.816 3.769 1.00 0.00 O ATOM 67 CB HIS A -4 14.268 -0.065 5.229 1.00 0.00 C ATOM 68 CG HIS A -4 14.616 -0.687 6.546 1.00 0.00 C ATOM 69 ND1 HIS A -4 14.780 -2.046 6.717 1.00 0.00 N ATOM 70 CD2 HIS A -4 14.834 -0.129 7.761 1.00 0.00 C ATOM 71 CE1 HIS A -4 15.082 -2.295 7.979 1.00 0.00 C ATOM 72 NE2 HIS A -4 15.122 -1.150 8.633 1.00 0.00 N ATOM 0 H HIS A -4 14.286 1.679 3.397 1.00 0.00 H new ATOM 0 HA HIS A -4 16.352 0.413 5.014 1.00 0.00 H new ATOM 0 HB2 HIS A -4 13.703 0.850 5.406 1.00 0.00 H new ATOM 0 HB3 HIS A -4 13.615 -0.742 4.678 1.00 0.00 H new ATOM 0 HD2 HIS A -4 14.790 0.923 8.000 1.00 0.00 H new ATOM 0 HE1 HIS A -4 15.265 -3.271 8.403 1.00 0.00 H new ATOM 0 HE2 HIS A -4 15.333 -1.041 9.625 1.00 0.00 H new ATOM 81 N HIS A -3 15.194 -0.857 2.236 1.00 0.00 N ATOM 82 CA HIS A -3 15.394 -1.907 1.244 1.00 0.00 C ATOM 83 C HIS A -3 14.917 -3.254 1.775 1.00 0.00 C ATOM 84 O HIS A -3 14.708 -3.420 2.977 1.00 0.00 O ATOM 85 CB HIS A -3 16.871 -1.994 0.853 1.00 0.00 C ATOM 86 CG HIS A -3 17.125 -2.864 -0.339 1.00 0.00 C ATOM 87 ND1 HIS A -3 17.624 -4.146 -0.241 1.00 0.00 N ATOM 88 CD2 HIS A -3 16.947 -2.630 -1.660 1.00 0.00 C ATOM 89 CE1 HIS A -3 17.742 -4.663 -1.452 1.00 0.00 C ATOM 90 NE2 HIS A -3 17.337 -3.764 -2.329 1.00 0.00 N ATOM 0 H HIS A -3 14.573 -0.105 1.935 1.00 0.00 H new ATOM 0 HA HIS A -3 14.806 -1.655 0.361 1.00 0.00 H new ATOM 0 HB2 HIS A -3 17.243 -0.991 0.646 1.00 0.00 H new ATOM 0 HB3 HIS A -3 17.441 -2.377 1.700 1.00 0.00 H new ATOM 0 HD2 HIS A -3 16.569 -1.721 -2.105 1.00 0.00 H new ATOM 0 HE1 HIS A -3 18.108 -5.652 -1.684 1.00 0.00 H new ATOM 0 HE2 HIS A -3 17.317 -3.891 -3.341 1.00 0.00 H new ATOM 99 N HIS A -2 14.745 -4.214 0.872 1.00 0.00 N ATOM 100 CA HIS A -2 14.293 -5.547 1.251 1.00 0.00 C ATOM 101 C HIS A -2 12.917 -5.490 1.907 1.00 0.00 C ATOM 102 O HIS A -2 12.604 -6.289 2.789 1.00 0.00 O ATOM 103 CB HIS A -2 15.297 -6.199 2.202 1.00 0.00 C ATOM 104 CG HIS A -2 15.103 -7.676 2.355 1.00 0.00 C ATOM 105 ND1 HIS A -2 15.411 -8.584 1.364 1.00 0.00 N ATOM 106 CD2 HIS A -2 14.630 -8.405 3.395 1.00 0.00 C ATOM 107 CE1 HIS A -2 15.134 -9.805 1.785 1.00 0.00 C ATOM 108 NE2 HIS A -2 14.660 -9.724 3.014 1.00 0.00 N ATOM 0 H HIS A -2 14.912 -4.093 -0.127 1.00 0.00 H new ATOM 0 HA HIS A -2 14.219 -6.148 0.345 1.00 0.00 H new ATOM 0 HB2 HIS A -2 16.307 -6.009 1.838 1.00 0.00 H new ATOM 0 HB3 HIS A -2 15.217 -5.727 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A -2 14.292 -8.020 4.346 1.00 0.00 H new ATOM 0 HE1 HIS A -2 15.272 -10.715 1.220 1.00 0.00 H new ATOM 0 HE2 HIS A -2 14.364 -10.513 3.588 1.00 0.00 H new ATOM 117 N HIS A -1 12.099 -4.537 1.471 1.00 0.00 N ATOM 118 CA HIS A -1 10.756 -4.375 2.017 1.00 0.00 C ATOM 119 C HIS A -1 9.699 -4.760 0.985 1.00 0.00 C ATOM 120 O HIS A -1 9.951 -4.725 -0.220 1.00 0.00 O ATOM 121 CB HIS A -1 10.538 -2.930 2.471 1.00 0.00 C ATOM 122 CG HIS A -1 9.562 -2.799 3.599 1.00 0.00 C ATOM 123 ND1 HIS A -1 9.947 -2.628 4.911 1.00 0.00 N ATOM 124 CD2 HIS A -1 8.208 -2.814 3.604 1.00 0.00 C ATOM 125 CE1 HIS A -1 8.873 -2.545 5.676 1.00 0.00 C ATOM 126 NE2 HIS A -1 7.805 -2.653 4.907 1.00 0.00 N ATOM 0 H HIS A -1 12.342 -3.866 0.742 1.00 0.00 H new ATOM 0 HA HIS A -1 10.658 -5.038 2.877 1.00 0.00 H new ATOM 0 HB2 HIS A -1 11.494 -2.506 2.777 1.00 0.00 H new ATOM 0 HB3 HIS A -1 10.184 -2.341 1.625 1.00 0.00 H new ATOM 0 HD2 HIS A -1 7.565 -2.931 2.744 1.00 0.00 H new ATOM 0 HE1 HIS A -1 8.869 -2.412 6.748 1.00 0.00 H new ATOM 0 HE2 HIS A -1 6.838 -2.622 5.229 1.00 0.00 H new ATOM 135 N MET A 0 8.516 -5.129 1.466 1.00 0.00 N ATOM 136 CA MET A 0 7.423 -5.522 0.585 1.00 0.00 C ATOM 137 C MET A 0 6.102 -5.571 1.345 1.00 0.00 C ATOM 138 O MET A 0 6.083 -5.697 2.569 1.00 0.00 O ATOM 139 CB MET A 0 7.713 -6.884 -0.046 1.00 0.00 C ATOM 140 CG MET A 0 7.044 -7.084 -1.396 1.00 0.00 C ATOM 141 SD MET A 0 7.807 -8.401 -2.362 1.00 0.00 S ATOM 142 CE MET A 0 8.302 -7.502 -3.830 1.00 0.00 C ATOM 0 H MET A 0 8.290 -5.164 2.460 1.00 0.00 H new ATOM 0 HA MET A 0 7.339 -4.775 -0.204 1.00 0.00 H new ATOM 0 HB2 MET A 0 8.791 -6.999 -0.163 1.00 0.00 H new ATOM 0 HB3 MET A 0 7.381 -7.668 0.634 1.00 0.00 H new ATOM 0 HG2 MET A 0 5.990 -7.315 -1.244 1.00 0.00 H new ATOM 0 HG3 MET A 0 7.088 -6.153 -1.960 1.00 0.00 H new ATOM 0 HE1 MET A 0 8.791 -8.183 -4.526 1.00 0.00 H new ATOM 0 HE2 MET A 0 7.422 -7.067 -4.305 1.00 0.00 H new ATOM 0 HE3 MET A 0 8.995 -6.707 -3.554 1.00 0.00 H new ATOM 152 N GLY A 1 4.999 -5.473 0.611 1.00 0.00 N ATOM 153 CA GLY A 1 3.688 -5.510 1.233 1.00 0.00 C ATOM 154 C GLY A 1 3.082 -4.130 1.397 1.00 0.00 C ATOM 155 O GLY A 1 1.861 -3.985 1.449 1.00 0.00 O ATOM 0 H GLY A 1 4.989 -5.369 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.021 -6.126 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.767 -5.987 2.210 1.00 0.00 H new ATOM 159 N SER A 2 3.935 -3.114 1.478 1.00 0.00 N ATOM 160 CA SER A 2 3.473 -1.740 1.638 1.00 0.00 C ATOM 161 C SER A 2 3.417 -1.024 0.293 1.00 0.00 C ATOM 162 O SER A 2 2.556 -0.174 0.067 1.00 0.00 O ATOM 163 CB SER A 2 4.390 -0.980 2.597 1.00 0.00 C ATOM 164 OG SER A 2 3.906 -1.044 3.927 1.00 0.00 O ATOM 0 H SER A 2 4.949 -3.216 1.436 1.00 0.00 H new ATOM 0 HA SER A 2 2.466 -1.768 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.395 -1.399 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.465 0.061 2.284 1.00 0.00 H new ATOM 0 HG SER A 2 4.512 -0.552 4.520 1.00 0.00 H new ATOM 170 N ALA A 3 4.338 -1.373 -0.597 1.00 0.00 N ATOM 171 CA ALA A 3 4.393 -0.763 -1.921 1.00 0.00 C ATOM 172 C ALA A 3 3.482 -1.496 -2.901 1.00 0.00 C ATOM 173 O ALA A 3 2.959 -0.898 -3.841 1.00 0.00 O ATOM 174 CB ALA A 3 5.823 -0.747 -2.436 1.00 0.00 C ATOM 0 H ALA A 3 5.058 -2.076 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 3 4.039 0.264 -1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.849 -0.289 -3.425 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.449 -0.172 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.198 -1.768 -2.499 1.00 0.00 H new ATOM 180 N GLY A 4 3.300 -2.793 -2.676 1.00 0.00 N ATOM 181 CA GLY A 4 2.453 -3.585 -3.547 1.00 0.00 C ATOM 182 C GLY A 4 0.977 -3.364 -3.283 1.00 0.00 C ATOM 183 O GLY A 4 0.149 -3.513 -4.181 1.00 0.00 O ATOM 0 H GLY A 4 3.724 -3.310 -1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.674 -3.338 -4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.688 -4.641 -3.414 1.00 0.00 H new ATOM 187 N THR A 5 0.647 -3.007 -2.045 1.00 0.00 N ATOM 188 CA THR A 5 -0.740 -2.764 -1.664 1.00 0.00 C ATOM 189 C THR A 5 -1.200 -1.385 -2.124 1.00 0.00 C ATOM 190 O THR A 5 -2.377 -1.178 -2.422 1.00 0.00 O ATOM 191 CB THR A 5 -0.903 -2.889 -0.149 1.00 0.00 C ATOM 192 OG1 THR A 5 0.223 -2.352 0.523 1.00 0.00 O ATOM 193 CG2 THR A 5 -1.077 -4.318 0.318 1.00 0.00 C ATOM 0 H THR A 5 1.321 -2.880 -1.290 1.00 0.00 H new ATOM 0 HA THR A 5 -1.361 -3.514 -2.154 1.00 0.00 H new ATOM 0 HB THR A 5 -1.809 -2.332 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.566 -3.010 1.164 1.00 0.00 H new ATOM 0 HG21 THR A 5 -1.187 -4.336 1.402 1.00 0.00 H new ATOM 0 HG22 THR A 5 -1.967 -4.746 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.203 -4.903 0.033 1.00 0.00 H new ATOM 201 N GLN A 6 -0.264 -0.442 -2.176 1.00 0.00 N ATOM 202 CA GLN A 6 -0.573 0.919 -2.599 1.00 0.00 C ATOM 203 C GLN A 6 -1.134 0.935 -4.018 1.00 0.00 C ATOM 204 O GLN A 6 -2.116 1.622 -4.301 1.00 0.00 O ATOM 205 CB GLN A 6 0.678 1.795 -2.522 1.00 0.00 C ATOM 206 CG GLN A 6 0.854 2.492 -1.183 1.00 0.00 C ATOM 207 CD GLN A 6 0.263 3.888 -1.172 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.992 4.881 -1.173 1.00 0.00 O ATOM 209 NE2 GLN A 6 -1.063 3.971 -1.159 1.00 0.00 N ATOM 0 H GLN A 6 0.714 -0.596 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 6 -1.330 1.319 -1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.555 1.179 -2.719 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.633 2.547 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.383 1.895 -0.402 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.916 2.549 -0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.627 3.121 -1.159 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.517 4.884 -1.149 1.00 0.00 H new ATOM 218 N GLU A 7 -0.503 0.176 -4.907 1.00 0.00 N ATOM 219 CA GLU A 7 -0.938 0.104 -6.297 1.00 0.00 C ATOM 220 C GLU A 7 -2.331 -0.508 -6.401 1.00 0.00 C ATOM 221 O GLU A 7 -3.198 0.014 -7.104 1.00 0.00 O ATOM 222 CB GLU A 7 0.055 -0.718 -7.120 1.00 0.00 C ATOM 223 CG GLU A 7 -0.013 -0.437 -8.612 1.00 0.00 C ATOM 224 CD GLU A 7 1.115 -1.096 -9.382 1.00 0.00 C ATOM 225 OE1 GLU A 7 2.192 -0.477 -9.502 1.00 0.00 O ATOM 226 OE2 GLU A 7 0.921 -2.233 -9.862 1.00 0.00 O ATOM 0 H GLU A 7 0.312 -0.398 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.977 1.119 -6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.065 -0.513 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.134 -1.778 -6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.968 -0.790 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 7 0.020 0.640 -8.777 1.00 0.00 H new ATOM 233 N GLU A 8 -2.542 -1.617 -5.699 1.00 0.00 N ATOM 234 CA GLU A 8 -3.830 -2.299 -5.715 1.00 0.00 C ATOM 235 C GLU A 8 -4.924 -1.412 -5.130 1.00 0.00 C ATOM 236 O GLU A 8 -6.043 -1.372 -5.640 1.00 0.00 O ATOM 237 CB GLU A 8 -3.747 -3.610 -4.931 1.00 0.00 C ATOM 238 CG GLU A 8 -2.555 -4.472 -5.315 1.00 0.00 C ATOM 239 CD GLU A 8 -2.944 -5.908 -5.609 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.311 -6.631 -4.659 1.00 0.00 O ATOM 241 OE2 GLU A 8 -2.881 -6.309 -6.790 1.00 0.00 O ATOM 0 H GLU A 8 -1.837 -2.062 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.082 -2.519 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.694 -3.384 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.663 -4.179 -5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.070 -4.044 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -1.824 -4.456 -4.506 1.00 0.00 H new ATOM 248 N LEU A 9 -4.594 -0.701 -4.058 1.00 0.00 N ATOM 249 CA LEU A 9 -5.550 0.186 -3.404 1.00 0.00 C ATOM 250 C LEU A 9 -5.916 1.355 -4.311 1.00 0.00 C ATOM 251 O LEU A 9 -7.070 1.779 -4.357 1.00 0.00 O ATOM 252 CB LEU A 9 -4.972 0.708 -2.087 1.00 0.00 C ATOM 253 CG LEU A 9 -4.891 -0.323 -0.961 1.00 0.00 C ATOM 254 CD1 LEU A 9 -3.941 0.150 0.129 1.00 0.00 C ATOM 255 CD2 LEU A 9 -6.273 -0.591 -0.386 1.00 0.00 C ATOM 0 H LEU A 9 -3.672 -0.721 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.455 -0.385 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.971 1.096 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.580 1.546 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.503 -1.254 -1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.896 -0.597 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.946 0.292 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.299 1.094 0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.198 -1.327 0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.688 0.336 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.926 -0.974 -1.171 1.00 0.00 H new ATOM 267 N LEU A 10 -4.925 1.874 -5.029 1.00 0.00 N ATOM 268 CA LEU A 10 -5.142 2.996 -5.935 1.00 0.00 C ATOM 269 C LEU A 10 -6.101 2.615 -7.059 1.00 0.00 C ATOM 270 O LEU A 10 -7.018 3.367 -7.388 1.00 0.00 O ATOM 271 CB LEU A 10 -3.809 3.468 -6.521 1.00 0.00 C ATOM 272 CG LEU A 10 -3.199 4.692 -5.839 1.00 0.00 C ATOM 273 CD1 LEU A 10 -1.793 4.949 -6.360 1.00 0.00 C ATOM 274 CD2 LEU A 10 -4.080 5.914 -6.054 1.00 0.00 C ATOM 0 H LEU A 10 -3.963 1.535 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.590 3.810 -5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.094 2.647 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.954 3.694 -7.577 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.137 4.495 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.375 5.824 -5.863 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.165 4.082 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.830 5.125 -7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.631 6.777 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.173 6.113 -7.122 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.068 5.729 -5.632 1.00 0.00 H new ATOM 286 N ARG A 11 -5.880 1.444 -7.645 1.00 0.00 N ATOM 287 CA ARG A 11 -6.722 0.963 -8.735 1.00 0.00 C ATOM 288 C ARG A 11 -8.175 0.831 -8.287 1.00 0.00 C ATOM 289 O ARG A 11 -9.094 1.232 -9.000 1.00 0.00 O ATOM 290 CB ARG A 11 -6.210 -0.384 -9.246 1.00 0.00 C ATOM 291 CG ARG A 11 -4.774 -0.336 -9.749 1.00 0.00 C ATOM 292 CD ARG A 11 -4.714 -0.251 -11.266 1.00 0.00 C ATOM 293 NE ARG A 11 -4.172 1.027 -11.722 1.00 0.00 N ATOM 294 CZ ARG A 11 -2.921 1.424 -11.498 1.00 0.00 C ATOM 295 NH1 ARG A 11 -2.081 0.649 -10.824 1.00 0.00 N ATOM 296 NH2 ARG A 11 -2.508 2.600 -11.952 1.00 0.00 N ATOM 0 H ARG A 11 -5.125 0.810 -7.384 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.676 1.693 -9.543 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.281 -1.119 -8.444 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.858 -0.728 -10.052 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.265 0.525 -9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.240 -1.225 -9.413 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.098 -1.064 -11.650 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.714 -0.388 -11.677 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.788 1.652 -12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.392 -0.257 -10.474 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.124 0.959 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.149 3.199 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.550 2.905 -11.781 1.00 0.00 H new ATOM 310 N TRP A 12 -8.374 0.266 -7.101 1.00 0.00 N ATOM 311 CA TRP A 12 -9.714 0.081 -6.554 1.00 0.00 C ATOM 312 C TRP A 12 -10.362 1.420 -6.218 1.00 0.00 C ATOM 313 O TRP A 12 -11.567 1.599 -6.388 1.00 0.00 O ATOM 314 CB TRP A 12 -9.659 -0.798 -5.304 1.00 0.00 C ATOM 315 CG TRP A 12 -10.995 -1.344 -4.899 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.578 -2.495 -5.343 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.914 -0.760 -3.968 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.805 -2.663 -4.745 1.00 0.00 N ATOM 319 CE2 TRP A 12 -13.033 -1.610 -3.898 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.899 0.400 -3.187 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -14.125 -1.338 -3.077 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.984 0.669 -2.373 1.00 0.00 C ATOM 323 CH2 TRP A 12 -14.083 -0.196 -2.324 1.00 0.00 C ATOM 0 H TRP A 12 -7.623 -0.072 -6.499 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.321 -0.412 -7.314 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.975 -1.628 -5.483 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.247 -0.217 -4.479 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.140 -3.175 -6.059 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.441 -3.444 -4.906 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -11.055 1.073 -3.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.974 -2.004 -3.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.983 1.562 -1.765 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.915 0.043 -1.679 1.00 0.00 H new ATOM 334 N CYS A 13 -9.554 2.358 -5.733 1.00 0.00 N ATOM 335 CA CYS A 13 -10.050 3.679 -5.363 1.00 0.00 C ATOM 336 C CYS A 13 -10.507 4.463 -6.590 1.00 0.00 C ATOM 337 O CYS A 13 -11.571 5.081 -6.580 1.00 0.00 O ATOM 338 CB CYS A 13 -8.966 4.462 -4.620 1.00 0.00 C ATOM 339 SG CYS A 13 -9.598 5.827 -3.617 1.00 0.00 S ATOM 0 H CYS A 13 -8.553 2.228 -5.587 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.909 3.541 -4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.415 3.777 -3.976 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.256 4.857 -5.346 1.00 0.00 H new ATOM 0 HG CYS A 13 -10.677 6.304 -4.164 1.00 0.00 H new ATOM 345 N GLN A 14 -9.696 4.441 -7.643 1.00 0.00 N ATOM 346 CA GLN A 14 -10.022 5.159 -8.870 1.00 0.00 C ATOM 347 C GLN A 14 -11.259 4.567 -9.543 1.00 0.00 C ATOM 348 O GLN A 14 -12.061 5.293 -10.132 1.00 0.00 O ATOM 349 CB GLN A 14 -8.835 5.139 -9.836 1.00 0.00 C ATOM 350 CG GLN A 14 -8.401 3.741 -10.249 1.00 0.00 C ATOM 351 CD GLN A 14 -7.753 3.714 -11.620 1.00 0.00 C ATOM 352 OE1 GLN A 14 -6.687 4.293 -11.827 1.00 0.00 O ATOM 353 NE2 GLN A 14 -8.398 3.038 -12.565 1.00 0.00 N ATOM 0 H GLN A 14 -8.811 3.935 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.241 6.193 -8.603 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.096 5.707 -10.729 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.991 5.648 -9.370 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.700 3.349 -9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.268 3.080 -10.247 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.280 2.573 -12.348 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.011 2.984 -13.507 1.00 0.00 H new ATOM 362 N GLU A 15 -11.408 3.250 -9.453 1.00 0.00 N ATOM 363 CA GLU A 15 -12.551 2.572 -10.057 1.00 0.00 C ATOM 364 C GLU A 15 -13.847 2.976 -9.363 1.00 0.00 C ATOM 365 O GLU A 15 -14.847 3.271 -10.015 1.00 0.00 O ATOM 366 CB GLU A 15 -12.368 1.055 -9.979 1.00 0.00 C ATOM 367 CG GLU A 15 -13.121 0.296 -11.061 1.00 0.00 C ATOM 368 CD GLU A 15 -12.211 -0.184 -12.176 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.053 -0.549 -11.881 1.00 0.00 O ATOM 370 OE2 GLU A 15 -12.657 -0.196 -13.341 1.00 0.00 O ATOM 0 H GLU A 15 -10.755 2.632 -8.970 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.611 2.870 -11.104 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.306 0.821 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.703 0.706 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.626 -0.561 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.895 0.939 -11.480 1.00 0.00 H new ATOM 377 N GLN A 16 -13.821 2.981 -8.036 1.00 0.00 N ATOM 378 CA GLN A 16 -14.992 3.347 -7.248 1.00 0.00 C ATOM 379 C GLN A 16 -15.361 4.811 -7.463 1.00 0.00 C ATOM 380 O GLN A 16 -16.533 5.180 -7.405 1.00 0.00 O ATOM 381 CB GLN A 16 -14.737 3.086 -5.762 1.00 0.00 C ATOM 382 CG GLN A 16 -14.591 1.612 -5.420 1.00 0.00 C ATOM 383 CD GLN A 16 -15.880 0.839 -5.613 1.00 0.00 C ATOM 384 OE1 GLN A 16 -15.907 -0.181 -6.301 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.957 1.322 -5.006 1.00 0.00 N ATOM 0 H GLN A 16 -13.001 2.735 -7.482 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.827 2.730 -7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.832 3.612 -5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.559 3.506 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.812 1.174 -6.043 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.264 1.514 -4.385 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.889 2.171 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.853 0.844 -5.100 1.00 0.00 H new ATOM 394 N THR A 17 -14.352 5.642 -7.707 1.00 0.00 N ATOM 395 CA THR A 17 -14.574 7.067 -7.927 1.00 0.00 C ATOM 396 C THR A 17 -14.764 7.383 -9.411 1.00 0.00 C ATOM 397 O THR A 17 -14.825 8.548 -9.799 1.00 0.00 O ATOM 398 CB THR A 17 -13.402 7.876 -7.372 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.153 7.534 -6.019 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.625 9.371 -7.434 1.00 0.00 C ATOM 0 H THR A 17 -13.375 5.354 -7.757 1.00 0.00 H new ATOM 0 HA THR A 17 -15.488 7.344 -7.402 1.00 0.00 H new ATOM 0 HB THR A 17 -12.551 7.625 -8.006 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.607 6.721 -5.982 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.756 9.886 -7.025 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.771 9.674 -8.471 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.509 9.632 -6.851 1.00 0.00 H new ATOM 408 N ALA A 18 -14.855 6.345 -10.238 1.00 0.00 N ATOM 409 CA ALA A 18 -15.038 6.530 -11.673 1.00 0.00 C ATOM 410 C ALA A 18 -16.512 6.706 -12.021 1.00 0.00 C ATOM 411 O ALA A 18 -17.346 5.871 -11.671 1.00 0.00 O ATOM 412 CB ALA A 18 -14.450 5.351 -12.436 1.00 0.00 C ATOM 0 H ALA A 18 -14.805 5.371 -9.940 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.512 7.438 -11.967 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.593 5.502 -13.506 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.384 5.273 -12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.951 4.433 -12.129 1.00 0.00 H new ATOM 418 N GLY A 19 -16.827 7.798 -12.711 1.00 0.00 N ATOM 419 CA GLY A 19 -18.202 8.063 -13.093 1.00 0.00 C ATOM 420 C GLY A 19 -18.555 9.538 -13.032 1.00 0.00 C ATOM 421 O GLY A 19 -19.566 9.962 -13.592 1.00 0.00 O ATOM 0 H GLY A 19 -16.155 8.504 -13.012 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.371 7.695 -14.105 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.871 7.506 -12.436 1.00 0.00 H new ATOM 425 N TYR A 20 -17.724 10.322 -12.351 1.00 0.00 N ATOM 426 CA TYR A 20 -17.959 11.755 -12.223 1.00 0.00 C ATOM 427 C TYR A 20 -17.194 12.528 -13.299 1.00 0.00 C ATOM 428 O TYR A 20 -15.970 12.429 -13.389 1.00 0.00 O ATOM 429 CB TYR A 20 -17.542 12.235 -10.831 1.00 0.00 C ATOM 430 CG TYR A 20 -18.064 11.357 -9.715 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.451 10.147 -9.415 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.171 11.733 -8.964 1.00 0.00 C ATOM 433 CE1 TYR A 20 -17.926 9.337 -8.401 1.00 0.00 C ATOM 434 CE2 TYR A 20 -19.653 10.930 -7.950 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.026 9.733 -7.672 1.00 0.00 C ATOM 436 OH TYR A 20 -19.503 8.928 -6.665 1.00 0.00 O ATOM 0 H TYR A 20 -16.883 9.989 -11.880 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.024 11.942 -12.358 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.454 12.271 -10.777 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -17.902 13.253 -10.682 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.588 9.834 -9.984 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.663 12.670 -9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.438 8.399 -8.181 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.516 11.237 -7.378 1.00 0.00 H new ATOM 0 HH TYR A 20 -18.809 8.289 -6.400 1.00 0.00 H new ATOM 446 N PRO A 21 -17.906 13.308 -14.136 1.00 0.00 N ATOM 447 CA PRO A 21 -17.282 14.089 -15.212 1.00 0.00 C ATOM 448 C PRO A 21 -16.444 15.253 -14.687 1.00 0.00 C ATOM 449 O PRO A 21 -16.721 16.413 -14.988 1.00 0.00 O ATOM 450 CB PRO A 21 -18.476 14.608 -16.016 1.00 0.00 C ATOM 451 CG PRO A 21 -19.603 14.637 -15.044 1.00 0.00 C ATOM 452 CD PRO A 21 -19.371 13.483 -14.108 1.00 0.00 C ATOM 0 HA PRO A 21 -16.587 13.486 -15.796 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.278 15.600 -16.423 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.698 13.956 -16.861 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.626 15.582 -14.501 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.561 14.539 -15.554 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.730 13.703 -13.103 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -19.889 12.584 -14.442 1.00 0.00 H new ATOM 460 N GLY A 22 -15.417 14.935 -13.906 1.00 0.00 N ATOM 461 CA GLY A 22 -14.556 15.967 -13.360 1.00 0.00 C ATOM 462 C GLY A 22 -13.901 15.561 -12.054 1.00 0.00 C ATOM 463 O GLY A 22 -13.740 16.384 -11.153 1.00 0.00 O ATOM 0 H GLY A 22 -15.166 13.982 -13.642 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.782 16.210 -14.088 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.140 16.873 -13.201 1.00 0.00 H new ATOM 467 N VAL A 23 -13.521 14.291 -11.949 1.00 0.00 N ATOM 468 CA VAL A 23 -12.878 13.787 -10.742 1.00 0.00 C ATOM 469 C VAL A 23 -11.754 12.813 -11.080 1.00 0.00 C ATOM 470 O VAL A 23 -11.980 11.787 -11.720 1.00 0.00 O ATOM 471 CB VAL A 23 -13.891 13.085 -9.818 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.243 12.717 -8.492 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.110 13.969 -9.596 1.00 0.00 C ATOM 0 H VAL A 23 -13.647 13.595 -12.683 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.461 14.650 -10.223 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.218 12.165 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.975 12.222 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.404 12.044 -8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.884 13.621 -7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.816 13.458 -8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -14.800 14.907 -9.135 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.588 14.176 -10.553 1.00 0.00 H new ATOM 483 N HIS A 24 -10.542 13.141 -10.641 1.00 0.00 N ATOM 484 CA HIS A 24 -9.382 12.296 -10.891 1.00 0.00 C ATOM 485 C HIS A 24 -8.797 11.784 -9.579 1.00 0.00 C ATOM 486 O HIS A 24 -8.378 12.569 -8.727 1.00 0.00 O ATOM 487 CB HIS A 24 -8.317 13.069 -11.671 1.00 0.00 C ATOM 488 CG HIS A 24 -7.975 14.395 -11.065 1.00 0.00 C ATOM 489 ND1 HIS A 24 -8.687 15.544 -10.986 1.00 0.00 N flip ATOM 490 CD2 HIS A 24 -6.770 14.650 -10.445 1.00 0.00 C flip ATOM 491 CE1 HIS A 24 -7.908 16.461 -10.326 1.00 0.00 C flip ATOM 492 NE2 HIS A 24 -6.757 15.897 -10.009 1.00 0.00 N flip ATOM 0 H HIS A 24 -10.339 13.988 -10.110 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.705 11.442 -11.486 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.413 12.463 -11.733 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.667 13.225 -12.691 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.963 13.941 -10.333 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.191 17.479 -10.102 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.989 16.347 -9.512 1.00 0.00 H new ATOM 501 N VAL A 25 -8.778 10.466 -9.417 1.00 0.00 N ATOM 502 CA VAL A 25 -8.252 9.855 -8.202 1.00 0.00 C ATOM 503 C VAL A 25 -6.882 9.226 -8.439 1.00 0.00 C ATOM 504 O VAL A 25 -6.575 8.166 -7.895 1.00 0.00 O ATOM 505 CB VAL A 25 -9.209 8.779 -7.656 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.774 8.331 -6.269 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.640 9.297 -7.631 1.00 0.00 C ATOM 0 H VAL A 25 -9.120 9.801 -10.110 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.154 10.655 -7.469 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.171 7.916 -8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.462 7.571 -5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.768 7.916 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.780 9.185 -5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.301 8.522 -7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.697 10.177 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.948 9.563 -8.642 1.00 0.00 H new ATOM 517 N SER A 26 -6.058 9.885 -9.248 1.00 0.00 N ATOM 518 CA SER A 26 -4.721 9.382 -9.543 1.00 0.00 C ATOM 519 C SER A 26 -3.676 10.035 -8.641 1.00 0.00 C ATOM 520 O SER A 26 -2.485 10.030 -8.951 1.00 0.00 O ATOM 521 CB SER A 26 -4.371 9.628 -11.011 1.00 0.00 C ATOM 522 OG SER A 26 -3.130 9.032 -11.348 1.00 0.00 O ATOM 0 H SER A 26 -6.291 10.764 -9.709 1.00 0.00 H new ATOM 0 HA SER A 26 -4.717 8.309 -9.351 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.157 9.223 -11.648 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.327 10.700 -11.202 1.00 0.00 H new ATOM 0 HG SER A 26 -2.474 9.223 -10.645 1.00 0.00 H new ATOM 528 N ASP A 27 -4.132 10.589 -7.524 1.00 0.00 N ATOM 529 CA ASP A 27 -3.240 11.240 -6.572 1.00 0.00 C ATOM 530 C ASP A 27 -3.628 10.880 -5.140 1.00 0.00 C ATOM 531 O ASP A 27 -4.809 10.841 -4.800 1.00 0.00 O ATOM 532 CB ASP A 27 -3.275 12.758 -6.758 1.00 0.00 C ATOM 533 CG ASP A 27 -3.164 13.166 -8.215 1.00 0.00 C ATOM 534 OD1 ASP A 27 -2.083 12.964 -8.808 1.00 0.00 O ATOM 535 OD2 ASP A 27 -4.157 13.687 -8.764 1.00 0.00 O ATOM 0 H ASP A 27 -5.116 10.600 -7.255 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.226 10.886 -6.758 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.204 13.151 -6.344 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.458 13.209 -6.194 1.00 0.00 H new ATOM 540 N LEU A 28 -2.627 10.613 -4.308 1.00 0.00 N ATOM 541 CA LEU A 28 -2.870 10.250 -2.915 1.00 0.00 C ATOM 542 C LEU A 28 -2.798 11.474 -2.007 1.00 0.00 C ATOM 543 O LEU A 28 -2.321 11.393 -0.874 1.00 0.00 O ATOM 544 CB LEU A 28 -1.858 9.197 -2.460 1.00 0.00 C ATOM 545 CG LEU A 28 -2.329 7.747 -2.595 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.167 6.839 -2.962 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.987 7.280 -1.305 1.00 0.00 C ATOM 0 H LEU A 28 -1.642 10.641 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.875 9.834 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.942 9.321 -3.038 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.604 9.385 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.067 7.697 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.522 5.813 -3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.740 7.161 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.405 6.891 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.316 6.247 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.270 7.345 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.847 7.913 -1.085 1.00 0.00 H new ATOM 559 N SER A 29 -3.277 12.609 -2.507 1.00 0.00 N ATOM 560 CA SER A 29 -3.266 13.847 -1.734 1.00 0.00 C ATOM 561 C SER A 29 -4.198 14.887 -2.350 1.00 0.00 C ATOM 562 O SER A 29 -5.297 15.127 -1.849 1.00 0.00 O ATOM 563 CB SER A 29 -1.845 14.406 -1.647 1.00 0.00 C ATOM 564 OG SER A 29 -1.175 13.916 -0.497 1.00 0.00 O ATOM 0 H SER A 29 -3.677 12.697 -3.441 1.00 0.00 H new ATOM 0 HA SER A 29 -3.622 13.619 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.287 14.131 -2.542 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.880 15.495 -1.615 1.00 0.00 H new ATOM 0 HG SER A 29 -1.404 12.973 -0.362 1.00 0.00 H new ATOM 570 N SER A 30 -3.750 15.506 -3.438 1.00 0.00 N ATOM 571 CA SER A 30 -4.538 16.526 -4.123 1.00 0.00 C ATOM 572 C SER A 30 -5.909 15.990 -4.531 1.00 0.00 C ATOM 573 O SER A 30 -6.871 16.749 -4.648 1.00 0.00 O ATOM 574 CB SER A 30 -3.790 17.031 -5.358 1.00 0.00 C ATOM 575 OG SER A 30 -2.528 17.572 -5.004 1.00 0.00 O ATOM 0 H SER A 30 -2.843 15.319 -3.865 1.00 0.00 H new ATOM 0 HA SER A 30 -4.689 17.352 -3.428 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.653 16.212 -6.064 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.386 17.791 -5.863 1.00 0.00 H new ATOM 0 HG SER A 30 -2.069 17.886 -5.811 1.00 0.00 H new ATOM 581 N SER A 31 -5.994 14.680 -4.744 1.00 0.00 N ATOM 582 CA SER A 31 -7.250 14.053 -5.139 1.00 0.00 C ATOM 583 C SER A 31 -8.266 14.098 -4.002 1.00 0.00 C ATOM 584 O SER A 31 -9.473 14.147 -4.236 1.00 0.00 O ATOM 585 CB SER A 31 -7.011 12.604 -5.575 1.00 0.00 C ATOM 586 OG SER A 31 -7.104 11.714 -4.474 1.00 0.00 O ATOM 0 H SER A 31 -5.210 14.034 -4.650 1.00 0.00 H new ATOM 0 HA SER A 31 -7.655 14.613 -5.982 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.742 12.325 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.026 12.517 -6.034 1.00 0.00 H new ATOM 0 HG SER A 31 -6.227 11.634 -4.043 1.00 0.00 H new ATOM 592 N TRP A 32 -7.770 14.079 -2.769 1.00 0.00 N ATOM 593 CA TRP A 32 -8.635 14.116 -1.595 1.00 0.00 C ATOM 594 C TRP A 32 -8.747 15.532 -1.029 1.00 0.00 C ATOM 595 O TRP A 32 -9.366 15.741 0.015 1.00 0.00 O ATOM 596 CB TRP A 32 -8.109 13.167 -0.517 1.00 0.00 C ATOM 597 CG TRP A 32 -7.688 11.833 -1.049 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.582 11.563 -1.803 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.363 10.583 -0.867 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.529 10.224 -2.104 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.611 9.601 -1.540 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.530 10.199 -0.202 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -7.990 8.262 -1.565 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.906 8.869 -0.228 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.137 7.914 -0.905 1.00 0.00 C ATOM 0 H TRP A 32 -6.773 14.038 -2.557 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.629 13.794 -1.906 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.261 13.634 -0.016 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.883 13.021 0.236 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.854 12.296 -2.117 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.803 9.768 -2.657 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.128 10.929 0.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.400 7.524 -2.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.807 8.561 0.282 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.456 6.882 -0.906 1.00 0.00 H new ATOM 616 N ALA A 33 -8.148 16.502 -1.718 1.00 0.00 N ATOM 617 CA ALA A 33 -8.185 17.892 -1.272 1.00 0.00 C ATOM 618 C ALA A 33 -9.615 18.346 -0.989 1.00 0.00 C ATOM 619 O ALA A 33 -9.963 18.652 0.151 1.00 0.00 O ATOM 620 CB ALA A 33 -7.539 18.796 -2.309 1.00 0.00 C ATOM 0 H ALA A 33 -7.633 16.351 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.621 17.961 -0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.574 19.829 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.501 18.497 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.078 18.711 -3.252 1.00 0.00 H new ATOM 626 N ASP A 34 -10.438 18.387 -2.031 1.00 0.00 N ATOM 627 CA ASP A 34 -11.829 18.805 -1.889 1.00 0.00 C ATOM 628 C ASP A 34 -12.697 17.673 -1.335 1.00 0.00 C ATOM 629 O ASP A 34 -13.893 17.857 -1.109 1.00 0.00 O ATOM 630 CB ASP A 34 -12.383 19.277 -3.236 1.00 0.00 C ATOM 631 CG ASP A 34 -12.132 18.278 -4.349 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.856 17.100 -4.038 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.208 18.675 -5.531 1.00 0.00 O ATOM 0 H ASP A 34 -10.167 18.136 -2.982 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.857 19.632 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.455 19.451 -3.143 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.926 20.231 -3.499 1.00 0.00 H new ATOM 638 N GLY A 35 -12.094 16.506 -1.116 1.00 0.00 N ATOM 639 CA GLY A 35 -12.837 15.376 -0.589 1.00 0.00 C ATOM 640 C GLY A 35 -13.711 14.715 -1.636 1.00 0.00 C ATOM 641 O GLY A 35 -14.782 14.194 -1.322 1.00 0.00 O ATOM 0 H GLY A 35 -11.106 16.325 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.139 14.642 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.460 15.710 0.241 1.00 0.00 H new ATOM 645 N LEU A 36 -13.257 14.736 -2.885 1.00 0.00 N ATOM 646 CA LEU A 36 -14.006 14.135 -3.984 1.00 0.00 C ATOM 647 C LEU A 36 -13.946 12.612 -3.919 1.00 0.00 C ATOM 648 O LEU A 36 -14.946 11.931 -4.148 1.00 0.00 O ATOM 649 CB LEU A 36 -13.461 14.626 -5.327 1.00 0.00 C ATOM 650 CG LEU A 36 -14.324 15.671 -6.037 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.601 15.036 -6.567 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.646 16.827 -5.098 1.00 0.00 C ATOM 0 H LEU A 36 -12.373 15.163 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.048 14.440 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.468 15.046 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.341 13.768 -5.988 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.762 16.066 -6.883 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.203 15.794 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.348 14.246 -7.274 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.168 14.613 -5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.260 17.560 -5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.189 16.451 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.719 17.298 -4.770 1.00 0.00 H new ATOM 664 N ALA A 37 -12.768 12.082 -3.608 1.00 0.00 N ATOM 665 CA ALA A 37 -12.580 10.639 -3.519 1.00 0.00 C ATOM 666 C ALA A 37 -13.469 10.035 -2.436 1.00 0.00 C ATOM 667 O ALA A 37 -14.139 9.026 -2.661 1.00 0.00 O ATOM 668 CB ALA A 37 -11.118 10.313 -3.248 1.00 0.00 C ATOM 0 H ALA A 37 -11.930 12.630 -3.414 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.868 10.200 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.992 9.232 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.502 10.703 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.812 10.770 -2.307 1.00 0.00 H new ATOM 674 N LEU A 38 -13.469 10.658 -1.263 1.00 0.00 N ATOM 675 CA LEU A 38 -14.277 10.181 -0.145 1.00 0.00 C ATOM 676 C LEU A 38 -15.764 10.263 -0.473 1.00 0.00 C ATOM 677 O LEU A 38 -16.516 9.319 -0.230 1.00 0.00 O ATOM 678 CB LEU A 38 -13.973 10.995 1.115 1.00 0.00 C ATOM 679 CG LEU A 38 -13.929 10.186 2.412 1.00 0.00 C ATOM 680 CD1 LEU A 38 -15.311 9.655 2.758 1.00 0.00 C ATOM 681 CD2 LEU A 38 -12.932 9.043 2.292 1.00 0.00 C ATOM 0 H LEU A 38 -12.920 11.493 -1.061 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.022 9.137 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.013 11.495 0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.728 11.775 1.216 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.604 10.844 3.218 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -15.259 9.082 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.000 10.490 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.666 9.012 1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.913 8.477 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.229 8.386 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.939 9.446 2.092 1.00 0.00 H new ATOM 693 N CYS A 39 -16.181 11.396 -1.026 1.00 0.00 N ATOM 694 CA CYS A 39 -17.578 11.601 -1.388 1.00 0.00 C ATOM 695 C CYS A 39 -17.971 10.706 -2.561 1.00 0.00 C ATOM 696 O CYS A 39 -19.109 10.247 -2.651 1.00 0.00 O ATOM 697 CB CYS A 39 -17.828 13.070 -1.738 1.00 0.00 C ATOM 698 SG CYS A 39 -18.991 13.904 -0.632 1.00 0.00 S ATOM 0 H CYS A 39 -15.571 12.187 -1.233 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.195 11.334 -0.530 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.878 13.604 -1.719 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.207 13.130 -2.758 1.00 0.00 H new ATOM 0 HG CYS A 39 -18.976 15.182 -0.871 1.00 0.00 H new ATOM 704 N ALA A 40 -17.020 10.463 -3.457 1.00 0.00 N ATOM 705 CA ALA A 40 -17.263 9.620 -4.622 1.00 0.00 C ATOM 706 C ALA A 40 -17.682 8.216 -4.202 1.00 0.00 C ATOM 707 O ALA A 40 -18.602 7.632 -4.774 1.00 0.00 O ATOM 708 CB ALA A 40 -16.021 9.561 -5.497 1.00 0.00 C ATOM 0 H ALA A 40 -16.073 10.838 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.079 10.060 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.216 8.929 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.764 10.566 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.192 9.146 -4.924 1.00 0.00 H new ATOM 714 N LEU A 41 -16.995 7.674 -3.200 1.00 0.00 N ATOM 715 CA LEU A 41 -17.290 6.335 -2.703 1.00 0.00 C ATOM 716 C LEU A 41 -18.625 6.301 -1.963 1.00 0.00 C ATOM 717 O LEU A 41 -19.491 5.478 -2.263 1.00 0.00 O ATOM 718 CB LEU A 41 -16.168 5.855 -1.779 1.00 0.00 C ATOM 719 CG LEU A 41 -14.755 6.008 -2.344 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.762 6.295 -1.229 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.352 4.755 -3.110 1.00 0.00 C ATOM 0 H LEU A 41 -16.229 8.143 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.360 5.667 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.230 6.406 -0.841 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.337 4.804 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.748 6.852 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.762 6.401 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.041 7.218 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.769 5.472 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.344 4.879 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.375 3.896 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.048 4.592 -3.933 1.00 0.00 H new ATOM 733 N VAL A 42 -18.786 7.197 -0.996 1.00 0.00 N ATOM 734 CA VAL A 42 -20.015 7.266 -0.213 1.00 0.00 C ATOM 735 C VAL A 42 -21.220 7.524 -1.109 1.00 0.00 C ATOM 736 O VAL A 42 -22.243 6.845 -1.005 1.00 0.00 O ATOM 737 CB VAL A 42 -19.940 8.372 0.857 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.167 8.332 1.757 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.664 8.239 1.676 1.00 0.00 C ATOM 0 H VAL A 42 -18.081 7.886 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.130 6.301 0.281 1.00 0.00 H new ATOM 0 HB VAL A 42 -19.921 9.338 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.095 9.121 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.064 8.483 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.222 7.364 2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.629 9.029 2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.649 7.268 2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.799 8.325 1.018 1.00 0.00 H new ATOM 749 N TYR A 43 -21.092 8.508 -1.992 1.00 0.00 N ATOM 750 CA TYR A 43 -22.166 8.861 -2.913 1.00 0.00 C ATOM 751 C TYR A 43 -22.587 7.655 -3.748 1.00 0.00 C ATOM 752 O TYR A 43 -23.770 7.470 -4.035 1.00 0.00 O ATOM 753 CB TYR A 43 -21.721 10.005 -3.827 1.00 0.00 C ATOM 754 CG TYR A 43 -22.751 10.395 -4.865 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.804 11.241 -4.543 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.668 9.917 -6.166 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.746 11.600 -5.487 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.606 10.272 -7.118 1.00 0.00 C ATOM 759 CZ TYR A 43 -24.642 11.114 -6.773 1.00 0.00 C ATOM 760 OH TYR A 43 -25.578 11.470 -7.718 1.00 0.00 O ATOM 0 H TYR A 43 -20.251 9.078 -2.090 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.025 9.187 -2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.488 10.876 -3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -20.800 9.716 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -23.888 11.625 -3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -21.858 9.257 -6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.560 12.258 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -23.528 9.892 -8.126 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.359 11.043 -8.572 1.00 0.00 H new ATOM 770 N ARG A 44 -21.614 6.838 -4.137 1.00 0.00 N ATOM 771 CA ARG A 44 -21.887 5.652 -4.938 1.00 0.00 C ATOM 772 C ARG A 44 -22.775 4.673 -4.177 1.00 0.00 C ATOM 773 O ARG A 44 -23.716 4.108 -4.735 1.00 0.00 O ATOM 774 CB ARG A 44 -20.580 4.968 -5.341 1.00 0.00 C ATOM 775 CG ARG A 44 -20.577 4.455 -6.774 1.00 0.00 C ATOM 776 CD ARG A 44 -20.081 3.020 -6.853 1.00 0.00 C ATOM 777 NE ARG A 44 -20.761 2.265 -7.902 1.00 0.00 N ATOM 778 CZ ARG A 44 -20.689 0.941 -8.030 1.00 0.00 C ATOM 779 NH1 ARG A 44 -19.967 0.224 -7.177 1.00 0.00 N ATOM 780 NH2 ARG A 44 -21.339 0.333 -9.012 1.00 0.00 N ATOM 0 H ARG A 44 -20.629 6.976 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.414 5.968 -5.838 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.757 5.672 -5.214 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.393 4.134 -4.665 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.585 4.516 -7.185 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.943 5.094 -7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.007 3.017 -7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -20.237 2.529 -5.893 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.325 2.782 -8.577 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -19.464 0.687 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -19.915 -0.790 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -21.895 0.879 -9.670 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -21.283 -0.681 -9.109 1.00 0.00 H new ATOM 794 N LEU A 45 -22.472 4.479 -2.896 1.00 0.00 N ATOM 795 CA LEU A 45 -23.249 3.571 -2.060 1.00 0.00 C ATOM 796 C LEU A 45 -24.578 4.208 -1.662 1.00 0.00 C ATOM 797 O LEU A 45 -25.622 3.555 -1.683 1.00 0.00 O ATOM 798 CB LEU A 45 -22.452 3.189 -0.808 1.00 0.00 C ATOM 799 CG LEU A 45 -21.784 1.814 -0.863 1.00 0.00 C ATOM 800 CD1 LEU A 45 -20.405 1.914 -1.502 1.00 0.00 C ATOM 801 CD2 LEU A 45 -21.685 1.215 0.533 1.00 0.00 C ATOM 0 H LEU A 45 -21.697 4.937 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.457 2.669 -2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.683 3.943 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.120 3.218 0.053 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.399 1.156 -1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -19.946 0.926 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.501 2.301 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -19.780 2.587 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -21.207 0.237 0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.092 1.872 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -22.684 1.107 0.954 1.00 0.00 H new ATOM 813 N GLN A 46 -24.529 5.487 -1.304 1.00 0.00 N ATOM 814 CA GLN A 46 -25.726 6.220 -0.907 1.00 0.00 C ATOM 815 C GLN A 46 -25.650 7.667 -1.385 1.00 0.00 C ATOM 816 O GLN A 46 -25.290 8.563 -0.621 1.00 0.00 O ATOM 817 CB GLN A 46 -25.897 6.179 0.612 1.00 0.00 C ATOM 818 CG GLN A 46 -26.740 5.011 1.098 1.00 0.00 C ATOM 819 CD GLN A 46 -26.176 4.366 2.348 1.00 0.00 C ATOM 820 OE1 GLN A 46 -24.960 4.252 2.508 1.00 0.00 O ATOM 821 NE2 GLN A 46 -27.057 3.937 3.244 1.00 0.00 N ATOM 0 H GLN A 46 -23.671 6.038 -1.281 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.589 5.743 -1.371 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.913 6.125 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.356 7.110 0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.754 5.358 1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.809 4.264 0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.056 4.051 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -26.735 3.493 4.104 1.00 0.00 H new ATOM 830 N PRO A 47 -25.988 7.914 -2.661 1.00 0.00 N ATOM 831 CA PRO A 47 -25.952 9.258 -3.240 1.00 0.00 C ATOM 832 C PRO A 47 -27.098 10.131 -2.746 1.00 0.00 C ATOM 833 O PRO A 47 -26.940 11.337 -2.558 1.00 0.00 O ATOM 834 CB PRO A 47 -26.081 8.999 -4.740 1.00 0.00 C ATOM 835 CG PRO A 47 -26.835 7.719 -4.837 1.00 0.00 C ATOM 836 CD PRO A 47 -26.427 6.900 -3.641 1.00 0.00 C ATOM 0 HA PRO A 47 -25.047 9.799 -2.965 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.612 9.810 -5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.103 8.920 -5.214 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.910 7.899 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.599 7.198 -5.765 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.257 6.306 -3.259 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.624 6.205 -3.886 1.00 0.00 H new ATOM 844 N GLY A 48 -28.251 9.512 -2.536 1.00 0.00 N ATOM 845 CA GLY A 48 -29.411 10.244 -2.065 1.00 0.00 C ATOM 846 C GLY A 48 -29.229 10.767 -0.652 1.00 0.00 C ATOM 847 O GLY A 48 -29.918 11.699 -0.235 1.00 0.00 O ATOM 0 H GLY A 48 -28.405 8.514 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -29.607 11.080 -2.737 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.286 9.595 -2.100 1.00 0.00 H new ATOM 851 N LEU A 49 -28.306 10.161 0.090 1.00 0.00 N ATOM 852 CA LEU A 49 -28.043 10.570 1.465 1.00 0.00 C ATOM 853 C LEU A 49 -26.937 11.622 1.543 1.00 0.00 C ATOM 854 O LEU A 49 -26.695 12.194 2.607 1.00 0.00 O ATOM 855 CB LEU A 49 -27.659 9.354 2.311 1.00 0.00 C ATOM 856 CG LEU A 49 -28.806 8.394 2.625 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.865 9.086 3.471 1.00 0.00 C ATOM 858 CD2 LEU A 49 -29.416 7.855 1.340 1.00 0.00 C ATOM 0 H LEU A 49 -27.729 9.386 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 49 -28.958 11.016 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -26.876 8.802 1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.232 9.705 3.251 1.00 0.00 H new ATOM 0 HG LEU A 49 -28.407 7.555 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.674 8.387 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.420 9.423 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -30.261 9.944 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -30.231 7.173 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.800 8.683 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -28.654 7.322 0.771 1.00 0.00 H new ATOM 870 N LEU A 50 -26.263 11.873 0.424 1.00 0.00 N ATOM 871 CA LEU A 50 -25.183 12.857 0.397 1.00 0.00 C ATOM 872 C LEU A 50 -25.080 13.536 -0.965 1.00 0.00 C ATOM 873 O LEU A 50 -25.066 12.874 -2.002 1.00 0.00 O ATOM 874 CB LEU A 50 -23.851 12.190 0.741 1.00 0.00 C ATOM 875 CG LEU A 50 -23.786 11.539 2.124 1.00 0.00 C ATOM 876 CD1 LEU A 50 -24.223 10.083 2.051 1.00 0.00 C ATOM 877 CD2 LEU A 50 -22.380 11.649 2.696 1.00 0.00 C ATOM 0 H LEU A 50 -26.443 11.414 -0.469 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.412 13.619 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -23.639 11.430 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.060 12.937 0.671 1.00 0.00 H new ATOM 0 HG LEU A 50 -24.470 12.068 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -24.170 9.637 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -25.248 10.029 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.565 9.539 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.350 11.181 3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.677 11.145 2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -22.105 12.700 2.785 1.00 0.00 H new ATOM 889 N GLU A 51 -24.997 14.864 -0.950 1.00 0.00 N ATOM 890 CA GLU A 51 -24.881 15.641 -2.180 1.00 0.00 C ATOM 891 C GLU A 51 -23.443 16.120 -2.377 1.00 0.00 C ATOM 892 O GLU A 51 -23.110 17.260 -2.054 1.00 0.00 O ATOM 893 CB GLU A 51 -25.830 16.841 -2.141 1.00 0.00 C ATOM 894 CG GLU A 51 -27.299 16.457 -2.232 1.00 0.00 C ATOM 895 CD GLU A 51 -27.802 16.416 -3.663 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.258 15.625 -4.460 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.740 17.175 -3.983 1.00 0.00 O ATOM 0 H GLU A 51 -25.008 15.425 -0.098 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.155 15.000 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.664 17.395 -1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.587 17.513 -2.964 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.445 15.480 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.894 17.171 -1.662 1.00 0.00 H new ATOM 904 N PRO A 52 -22.567 15.247 -2.907 1.00 0.00 N ATOM 905 CA PRO A 52 -21.156 15.579 -3.141 1.00 0.00 C ATOM 906 C PRO A 52 -20.979 16.786 -4.053 1.00 0.00 C ATOM 907 O PRO A 52 -20.081 17.601 -3.849 1.00 0.00 O ATOM 908 CB PRO A 52 -20.588 14.319 -3.808 1.00 0.00 C ATOM 909 CG PRO A 52 -21.779 13.566 -4.296 1.00 0.00 C ATOM 910 CD PRO A 52 -22.878 13.871 -3.321 1.00 0.00 C ATOM 0 HA PRO A 52 -20.652 15.849 -2.213 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.920 14.575 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -20.009 13.725 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -22.053 13.876 -5.304 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.577 12.496 -4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.862 13.800 -3.784 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.873 13.183 -2.476 1.00 0.00 H new ATOM 918 N SER A 53 -21.834 16.892 -5.062 1.00 0.00 N ATOM 919 CA SER A 53 -21.763 17.999 -6.011 1.00 0.00 C ATOM 920 C SER A 53 -21.789 19.346 -5.294 1.00 0.00 C ATOM 921 O SER A 53 -21.132 20.297 -5.717 1.00 0.00 O ATOM 922 CB SER A 53 -22.922 17.917 -7.006 1.00 0.00 C ATOM 923 OG SER A 53 -22.596 18.568 -8.222 1.00 0.00 O ATOM 0 H SER A 53 -22.585 16.226 -5.246 1.00 0.00 H new ATOM 0 HA SER A 53 -20.819 17.918 -6.549 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.164 16.872 -7.202 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.811 18.374 -6.572 1.00 0.00 H new ATOM 0 HG SER A 53 -23.352 18.501 -8.842 1.00 0.00 H new ATOM 929 N GLU A 54 -22.554 19.422 -4.212 1.00 0.00 N ATOM 930 CA GLU A 54 -22.667 20.656 -3.443 1.00 0.00 C ATOM 931 C GLU A 54 -21.386 20.952 -2.667 1.00 0.00 C ATOM 932 O GLU A 54 -20.857 22.060 -2.727 1.00 0.00 O ATOM 933 CB GLU A 54 -23.851 20.572 -2.477 1.00 0.00 C ATOM 934 CG GLU A 54 -24.582 21.893 -2.292 1.00 0.00 C ATOM 935 CD GLU A 54 -25.832 21.753 -1.448 1.00 0.00 C ATOM 936 OE1 GLU A 54 -25.726 21.257 -0.306 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.919 22.141 -1.927 1.00 0.00 O ATOM 0 H GLU A 54 -23.105 18.645 -3.847 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.832 21.471 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.555 19.825 -2.843 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.494 20.225 -1.507 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.911 22.613 -1.824 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.851 22.295 -3.269 1.00 0.00 H new ATOM 944 N LEU A 55 -20.899 19.958 -1.934 1.00 0.00 N ATOM 945 CA LEU A 55 -19.684 20.112 -1.135 1.00 0.00 C ATOM 946 C LEU A 55 -18.421 19.987 -1.985 1.00 0.00 C ATOM 947 O LEU A 55 -17.317 20.251 -1.507 1.00 0.00 O ATOM 948 CB LEU A 55 -19.658 19.069 -0.015 1.00 0.00 C ATOM 949 CG LEU A 55 -20.828 19.142 0.966 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.188 17.754 1.473 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.492 20.065 2.128 1.00 0.00 C ATOM 0 H LEU A 55 -21.326 19.034 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.699 21.114 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.642 18.076 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.728 19.181 0.543 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.692 19.550 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.023 17.826 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.472 17.122 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.328 17.318 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.336 20.105 2.817 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.614 19.686 2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.285 21.066 1.749 1.00 0.00 H new ATOM 963 N GLN A 56 -18.579 19.573 -3.235 1.00 0.00 N ATOM 964 CA GLN A 56 -17.443 19.401 -4.132 1.00 0.00 C ATOM 965 C GLN A 56 -16.690 20.711 -4.340 1.00 0.00 C ATOM 966 O GLN A 56 -15.467 20.718 -4.480 1.00 0.00 O ATOM 967 CB GLN A 56 -17.912 18.853 -5.479 1.00 0.00 C ATOM 968 CG GLN A 56 -16.783 18.609 -6.468 1.00 0.00 C ATOM 969 CD GLN A 56 -17.123 19.079 -7.869 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.459 19.959 -8.419 1.00 0.00 O ATOM 971 NE2 GLN A 56 -18.162 18.495 -8.454 1.00 0.00 N ATOM 0 H GLN A 56 -19.483 19.350 -3.652 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.760 18.689 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.447 17.918 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.623 19.553 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.886 19.124 -6.124 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.550 17.544 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.684 17.770 -7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -18.438 18.771 -9.396 1.00 0.00 H new ATOM 980 N GLY A 57 -17.422 21.817 -4.361 1.00 0.00 N ATOM 981 CA GLY A 57 -16.793 23.112 -4.556 1.00 0.00 C ATOM 982 C GLY A 57 -17.027 24.063 -3.397 1.00 0.00 C ATOM 983 O GLY A 57 -16.258 25.003 -3.196 1.00 0.00 O ATOM 0 H GLY A 57 -18.435 21.843 -4.247 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.721 22.972 -4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.176 23.562 -5.472 1.00 0.00 H new ATOM 987 N LEU A 58 -18.090 23.825 -2.636 1.00 0.00 N ATOM 988 CA LEU A 58 -18.420 24.672 -1.496 1.00 0.00 C ATOM 989 C LEU A 58 -17.245 24.776 -0.528 1.00 0.00 C ATOM 990 O LEU A 58 -17.024 25.822 0.084 1.00 0.00 O ATOM 991 CB LEU A 58 -19.651 24.130 -0.771 1.00 0.00 C ATOM 992 CG LEU A 58 -20.924 24.946 -0.980 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.545 24.633 -2.332 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.919 24.684 0.142 1.00 0.00 C ATOM 0 H LEU A 58 -18.738 23.052 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.640 25.671 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.832 23.108 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.436 24.084 0.297 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.660 26.003 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.451 25.225 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.836 24.877 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.794 23.573 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.820 25.275 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.178 23.625 0.159 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.473 24.964 1.096 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.497 23.688 -0.391 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.356 23.688 0.507 1.00 0.00 C ATOM 1008 C GLY A 59 -14.758 22.308 0.695 1.00 0.00 C ATOM 1009 O GLY A 59 -15.466 21.303 0.647 1.00 0.00 O ATOM 0 H GLY A 59 -16.658 22.809 -0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.592 24.360 0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.662 24.082 1.476 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.448 22.262 0.912 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.748 20.999 1.111 1.00 0.00 C ATOM 1015 C ALA A 60 -12.988 20.452 2.514 1.00 0.00 C ATOM 1016 O ALA A 60 -13.452 19.324 2.679 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.258 21.179 0.863 1.00 0.00 C ATOM 0 H ALA A 60 -12.849 23.086 0.955 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.142 20.277 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.746 20.229 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.098 21.518 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.861 21.920 1.557 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.669 21.259 3.522 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.850 20.855 4.911 1.00 0.00 C ATOM 1025 C LEU A 61 -14.308 20.508 5.196 1.00 0.00 C ATOM 1026 O LEU A 61 -14.603 19.510 5.851 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.386 21.968 5.853 1.00 0.00 C ATOM 1028 CG LEU A 61 -12.584 21.682 7.343 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -11.510 22.374 8.167 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -13.970 22.124 7.789 1.00 0.00 C ATOM 0 H LEU A 61 -12.284 22.196 3.402 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.245 19.965 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.328 22.158 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.921 22.883 5.600 1.00 0.00 H new ATOM 0 HG LEU A 61 -12.498 20.607 7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.667 22.159 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.528 22.009 7.865 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.563 23.450 8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -14.095 21.914 8.851 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -14.084 23.194 7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.725 21.581 7.221 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.218 21.340 4.696 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.645 21.121 4.898 1.00 0.00 C ATOM 1044 C GLU A 62 -17.100 19.831 4.222 1.00 0.00 C ATOM 1045 O GLU A 62 -17.897 19.075 4.777 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.445 22.306 4.353 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.849 22.404 4.927 1.00 0.00 C ATOM 1048 CD GLU A 62 -19.172 23.792 5.447 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -18.263 24.445 5.999 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -20.335 24.223 5.304 1.00 0.00 O ATOM 0 H GLU A 62 -14.992 22.171 4.149 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.825 21.031 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.907 23.229 4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.509 22.223 3.268 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.572 22.131 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.957 21.682 5.737 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.590 19.587 3.019 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.945 18.389 2.269 1.00 0.00 C ATOM 1059 C ALA A 63 -16.482 17.128 2.990 1.00 0.00 C ATOM 1060 O ALA A 63 -17.220 16.146 3.078 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.349 18.446 0.871 1.00 0.00 C ATOM 0 H ALA A 63 -15.930 20.203 2.544 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.031 18.351 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.622 17.545 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.734 19.321 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.263 18.513 0.941 1.00 0.00 H new ATOM 1067 N THR A 64 -15.258 17.163 3.505 1.00 0.00 N ATOM 1068 CA THR A 64 -14.697 16.020 4.217 1.00 0.00 C ATOM 1069 C THR A 64 -15.456 15.761 5.515 1.00 0.00 C ATOM 1070 O THR A 64 -15.872 14.635 5.788 1.00 0.00 O ATOM 1071 CB THR A 64 -13.217 16.256 4.516 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.645 17.130 3.561 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.397 14.983 4.523 1.00 0.00 C ATOM 0 H THR A 64 -14.636 17.969 3.443 1.00 0.00 H new ATOM 0 HA THR A 64 -14.796 15.142 3.579 1.00 0.00 H new ATOM 0 HB THR A 64 -13.191 16.692 5.515 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.877 18.056 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.356 15.222 4.741 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.782 14.306 5.286 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.462 14.503 3.546 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.628 16.809 6.313 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.332 16.693 7.586 1.00 0.00 C ATOM 1083 C ALA A 65 -17.773 16.238 7.382 1.00 0.00 C ATOM 1084 O ALA A 65 -18.272 15.382 8.113 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.297 18.020 8.327 1.00 0.00 C ATOM 0 H ALA A 65 -15.290 17.748 6.102 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.824 15.937 8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.825 17.921 9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.262 18.304 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.779 18.788 7.721 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.439 16.817 6.389 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.826 16.469 6.094 1.00 0.00 C ATOM 1093 C TRP A 66 -19.933 15.035 5.586 1.00 0.00 C ATOM 1094 O TRP A 66 -20.844 14.299 5.966 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.406 17.433 5.058 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.901 17.534 5.113 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.637 18.358 5.913 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.841 16.782 4.337 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.978 18.167 5.684 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.129 17.204 4.719 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.720 15.794 3.356 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.285 16.671 4.154 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.869 15.267 2.795 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.136 15.707 3.196 1.00 0.00 C ATOM 0 H TRP A 66 -18.042 17.528 5.775 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.398 16.551 7.018 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.976 18.423 5.212 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.107 17.107 4.062 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.225 19.059 6.624 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.737 18.660 6.154 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.746 15.448 3.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.264 17.007 4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.787 14.504 2.035 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.014 15.276 2.739 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.002 14.648 4.723 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.994 13.304 4.159 1.00 0.00 C ATOM 1117 C ALA A 67 -18.621 12.264 5.210 1.00 0.00 C ATOM 1118 O ALA A 67 -19.190 11.173 5.244 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.033 13.233 2.983 1.00 0.00 C ATOM 0 H ALA A 67 -18.242 15.246 4.398 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.002 13.080 3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.036 12.224 2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.346 13.940 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.027 13.484 3.319 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.657 12.603 6.059 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.202 11.691 7.103 1.00 0.00 C ATOM 1127 C LEU A 68 -18.304 11.418 8.124 1.00 0.00 C ATOM 1128 O LEU A 68 -18.535 10.271 8.505 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.971 12.265 7.810 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.641 11.614 7.423 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -14.304 11.911 5.969 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -13.527 12.094 8.339 1.00 0.00 C ATOM 0 H LEU A 68 -17.176 13.502 6.045 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.938 10.747 6.626 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.912 13.332 7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.108 12.163 8.887 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.739 10.535 7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.355 11.440 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -15.091 11.517 5.325 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.224 12.989 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.589 11.621 8.049 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.429 13.176 8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -13.764 11.829 9.370 1.00 0.00 H new ATOM 1144 N LYS A 69 -18.977 12.475 8.570 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.046 12.337 9.555 1.00 0.00 C ATOM 1146 C LYS A 69 -21.220 11.543 8.991 1.00 0.00 C ATOM 1147 O LYS A 69 -21.717 10.614 9.628 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.522 13.717 10.014 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.101 13.723 11.419 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.217 14.745 11.557 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.584 14.110 11.355 1.00 0.00 C ATOM 1152 NZ LYS A 69 -24.012 14.155 9.929 1.00 0.00 N ATOM 0 H LYS A 69 -18.802 13.433 8.267 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.646 11.791 10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.685 14.414 9.972 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.276 14.083 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.483 12.731 11.661 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -20.312 13.945 12.138 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.171 15.204 12.544 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.074 15.542 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.557 13.074 11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -24.319 14.627 11.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -24.988 13.806 9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.965 15.135 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -23.382 13.556 9.358 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.663 11.912 7.794 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.778 11.229 7.151 1.00 0.00 C ATOM 1168 C VAL A 70 -22.392 9.813 6.742 1.00 0.00 C ATOM 1169 O VAL A 70 -23.158 8.871 6.941 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.274 11.998 5.912 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.531 11.350 5.347 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -23.529 13.459 6.255 1.00 0.00 C ATOM 0 H VAL A 70 -21.267 12.679 7.251 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.585 11.184 7.883 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.497 11.957 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.866 11.908 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.313 10.321 5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.315 11.357 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.879 13.986 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.286 13.522 7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.605 13.917 6.608 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.199 9.665 6.172 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.720 8.355 5.743 1.00 0.00 C ATOM 1184 C ALA A 71 -20.745 7.372 6.906 1.00 0.00 C ATOM 1185 O ALA A 71 -21.216 6.243 6.770 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.314 8.465 5.172 1.00 0.00 C ATOM 0 H ALA A 71 -20.550 10.432 5.997 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.383 7.983 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.971 7.480 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.321 9.138 4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.641 8.856 5.935 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.244 7.815 8.051 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.218 6.985 9.246 1.00 0.00 C ATOM 1194 C GLU A 72 -21.630 6.779 9.786 1.00 0.00 C ATOM 1195 O GLU A 72 -21.966 5.706 10.280 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.322 7.610 10.322 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.886 8.884 10.932 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.142 9.307 12.183 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -19.208 8.571 13.190 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -18.493 10.375 12.156 1.00 0.00 O ATOM 0 H GLU A 72 -19.849 8.747 8.177 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.804 6.013 8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.161 6.880 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.347 7.828 9.887 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.839 9.687 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -20.938 8.733 11.173 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.448 7.822 9.696 1.00 0.00 N ATOM 1208 CA ASN A 73 -23.821 7.759 10.183 1.00 0.00 C ATOM 1209 C ASN A 73 -24.680 6.845 9.313 1.00 0.00 C ATOM 1210 O ASN A 73 -25.496 6.075 9.820 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.432 9.161 10.222 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.272 9.823 11.577 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -25.308 9.738 12.403 1.00 0.00 O flip ATOM 1214 ND2 ASN A 73 -23.229 10.403 11.879 1.00 0.00 N flip ATOM 0 H ASN A 73 -22.184 8.720 9.291 1.00 0.00 H new ATOM 0 HA ASN A 73 -23.797 7.345 11.191 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -23.961 9.781 9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.491 9.100 9.973 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -22.457 10.444 11.213 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -23.137 10.842 12.795 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.499 6.941 8.001 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.265 6.130 7.058 1.00 0.00 C ATOM 1223 C GLU A 74 -24.688 4.721 6.914 1.00 0.00 C ATOM 1224 O GLU A 74 -25.432 3.742 6.852 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.311 6.817 5.690 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.718 7.162 5.229 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.478 7.994 6.243 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -28.107 7.401 7.145 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.445 9.239 6.136 1.00 0.00 O ATOM 0 H GLU A 74 -23.828 7.573 7.564 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.276 6.034 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.717 7.730 5.731 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.845 6.166 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.664 7.706 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.268 6.241 5.035 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.364 4.626 6.837 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.700 3.336 6.671 1.00 0.00 C ATOM 1238 C LEU A 75 -22.332 2.701 8.012 1.00 0.00 C ATOM 1239 O LEU A 75 -22.506 1.498 8.203 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.446 3.497 5.810 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.244 2.409 4.752 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.640 2.996 3.486 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -20.365 1.294 5.298 1.00 0.00 C ATOM 0 H LEU A 75 -22.731 5.424 6.887 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.404 2.669 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.488 4.465 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.574 3.513 6.464 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.218 1.989 4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.505 2.206 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.307 3.758 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.674 3.445 3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.231 0.529 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.393 1.701 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.840 0.852 6.174 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.822 3.508 8.935 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.440 2.989 10.237 1.00 0.00 C ATOM 1257 C GLY A 76 -19.945 2.757 10.359 1.00 0.00 C ATOM 1258 O GLY A 76 -19.502 1.935 11.160 1.00 0.00 O ATOM 0 H GLY A 76 -21.666 4.508 8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.759 3.688 11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.965 2.051 10.418 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.166 3.486 9.564 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.714 3.356 9.590 1.00 0.00 C ATOM 1264 C ILE A 77 -17.091 4.344 10.571 1.00 0.00 C ATOM 1265 O ILE A 77 -17.334 5.547 10.493 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.103 3.582 8.193 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.794 2.692 7.158 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.604 3.312 8.215 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.612 1.213 7.418 1.00 0.00 C ATOM 0 H ILE A 77 -19.516 4.172 8.895 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.494 2.339 9.914 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.259 4.623 7.912 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -18.859 2.922 7.145 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.405 2.930 6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.190 3.477 7.220 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.123 3.986 8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.425 2.280 8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.128 0.642 6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.550 0.969 7.402 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.027 0.961 8.394 1.00 0.00 H new ATOM 1281 N THR A 78 -16.288 3.826 11.496 1.00 0.00 N ATOM 1282 CA THR A 78 -15.633 4.661 12.495 1.00 0.00 C ATOM 1283 C THR A 78 -14.483 5.454 11.873 1.00 0.00 C ATOM 1284 O THR A 78 -13.569 4.874 11.286 1.00 0.00 O ATOM 1285 CB THR A 78 -15.109 3.798 13.643 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.063 2.818 14.009 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.770 4.594 14.886 1.00 0.00 C ATOM 0 H THR A 78 -16.076 2.831 11.574 1.00 0.00 H new ATOM 0 HA THR A 78 -16.368 5.366 12.884 1.00 0.00 H new ATOM 0 HB THR A 78 -14.195 3.339 13.265 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.709 2.275 14.744 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.404 3.920 15.661 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.999 5.327 14.649 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.662 5.108 15.244 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.512 6.795 11.989 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.463 7.658 11.430 1.00 0.00 C ATOM 1297 C PRO A 79 -12.072 7.276 11.926 1.00 0.00 C ATOM 1298 O PRO A 79 -11.898 6.895 13.083 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.839 9.056 11.930 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.300 8.982 12.206 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.562 7.576 12.669 1.00 0.00 C ATOM 0 HA PRO A 79 -13.413 7.579 10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.280 9.318 12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.616 9.817 11.182 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.590 9.705 12.969 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.879 9.213 11.311 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.490 7.489 13.753 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.560 7.239 12.388 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.085 7.382 11.041 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.708 7.048 11.389 1.00 0.00 C ATOM 1311 C VAL A 80 -8.734 8.144 10.954 1.00 0.00 C ATOM 1312 O VAL A 80 -7.520 7.990 11.088 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.277 5.714 10.750 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -7.918 5.282 11.279 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.322 4.639 11.002 1.00 0.00 C ATOM 0 H VAL A 80 -11.213 7.696 10.079 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.677 6.956 12.475 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.192 5.859 9.673 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.631 4.338 10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.176 6.044 11.040 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.972 5.154 12.360 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.000 3.704 10.543 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.443 4.494 12.075 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.273 4.947 10.568 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.266 9.248 10.433 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.434 10.357 9.984 1.00 0.00 C ATOM 1327 C VAL A 81 -9.162 11.687 10.136 1.00 0.00 C ATOM 1328 O VAL A 81 -10.390 11.746 10.063 1.00 0.00 O ATOM 1329 CB VAL A 81 -8.010 10.183 8.514 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -7.106 8.970 8.357 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -9.232 10.065 7.616 1.00 0.00 C ATOM 0 H VAL A 81 -10.268 9.396 10.312 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.544 10.358 10.613 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.448 11.067 8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.817 8.864 7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.213 9.100 8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.639 8.075 8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.913 9.943 6.581 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.823 9.200 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.837 10.967 7.705 1.00 0.00 H new ATOM 1341 N SER A 82 -8.399 12.756 10.352 1.00 0.00 N ATOM 1342 CA SER A 82 -8.974 14.086 10.514 1.00 0.00 C ATOM 1343 C SER A 82 -9.161 14.766 9.162 1.00 0.00 C ATOM 1344 O SER A 82 -8.384 14.548 8.233 1.00 0.00 O ATOM 1345 CB SER A 82 -8.079 14.944 11.411 1.00 0.00 C ATOM 1346 OG SER A 82 -8.480 14.854 12.767 1.00 0.00 O ATOM 0 H SER A 82 -7.382 12.726 10.419 1.00 0.00 H new ATOM 0 HA SER A 82 -9.952 13.978 10.984 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.043 14.620 11.313 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.121 15.983 11.084 1.00 0.00 H new ATOM 0 HG SER A 82 -7.892 15.410 13.320 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.198 15.591 9.061 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.490 16.304 7.822 1.00 0.00 C ATOM 1354 C ALA A 83 -9.310 17.170 7.392 1.00 0.00 C ATOM 1355 O ALA A 83 -8.949 17.203 6.216 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.739 17.157 7.987 1.00 0.00 C ATOM 0 H ALA A 83 -10.850 15.783 9.822 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.667 15.565 7.041 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.946 17.684 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.586 16.518 8.238 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.582 17.881 8.786 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.716 17.871 8.353 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.577 18.741 8.074 1.00 0.00 C ATOM 1364 C GLN A 84 -6.419 17.950 7.472 1.00 0.00 C ATOM 1365 O GLN A 84 -5.711 18.443 6.593 1.00 0.00 O ATOM 1366 CB GLN A 84 -7.120 19.440 9.355 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.208 20.630 9.106 1.00 0.00 C ATOM 1368 CD GLN A 84 -6.704 21.898 9.775 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -7.868 22.273 9.636 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -5.820 22.565 10.508 1.00 0.00 N ATOM 0 H GLN A 84 -9.004 17.854 9.331 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.894 19.491 7.350 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.997 19.775 9.909 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.600 18.720 9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.208 20.399 9.472 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.124 20.800 8.033 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.865 22.218 10.596 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.096 23.424 10.983 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.232 16.725 7.949 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.158 15.871 7.455 1.00 0.00 C ATOM 1381 C ALA A 85 -5.415 15.441 6.016 1.00 0.00 C ATOM 1382 O ALA A 85 -4.516 15.481 5.176 1.00 0.00 O ATOM 1383 CB ALA A 85 -5.000 14.653 8.352 1.00 0.00 C ATOM 0 H ALA A 85 -6.809 16.301 8.676 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.232 16.446 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.195 14.024 7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.761 14.976 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.930 14.085 8.362 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.647 15.027 5.738 1.00 0.00 N ATOM 1390 CA VAL A 86 -7.024 14.587 4.401 1.00 0.00 C ATOM 1391 C VAL A 86 -6.947 15.733 3.397 1.00 0.00 C ATOM 1392 O VAL A 86 -6.370 15.589 2.319 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.448 13.998 4.383 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.747 13.362 3.034 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.623 12.989 5.508 1.00 0.00 C ATOM 0 H VAL A 86 -7.402 14.987 6.423 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.313 13.812 4.115 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.159 14.809 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.757 12.952 3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.667 14.116 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.032 12.562 2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.635 12.584 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.904 12.179 5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.456 13.480 6.467 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.537 16.869 3.755 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.536 18.038 2.882 1.00 0.00 C ATOM 1407 C VAL A 87 -6.115 18.521 2.607 1.00 0.00 C ATOM 1408 O VAL A 87 -5.810 18.984 1.507 1.00 0.00 O ATOM 1409 CB VAL A 87 -8.356 19.194 3.490 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.748 19.652 4.805 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -8.459 20.352 2.508 1.00 0.00 C ATOM 0 H VAL A 87 -8.021 17.005 4.642 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.997 17.732 1.943 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.363 18.830 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.342 20.468 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.737 18.821 5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.728 19.997 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.041 21.158 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -7.460 20.716 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.950 20.013 1.596 1.00 0.00 H new ATOM 1421 N ALA A 88 -5.253 18.411 3.610 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.865 18.839 3.475 1.00 0.00 C ATOM 1423 C ALA A 88 -2.981 17.712 2.942 1.00 0.00 C ATOM 1424 O ALA A 88 -1.845 17.950 2.531 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.336 19.337 4.811 1.00 0.00 C ATOM 0 H ALA A 88 -5.490 18.029 4.526 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.836 19.655 2.753 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.299 19.653 4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.938 20.181 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.391 18.534 5.546 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.505 16.490 2.948 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.739 15.355 2.460 1.00 0.00 C ATOM 1433 C GLY A 89 -1.459 15.139 3.244 1.00 0.00 C ATOM 1434 O GLY A 89 -0.444 14.726 2.685 1.00 0.00 O ATOM 0 H GLY A 89 -4.443 16.265 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.352 14.456 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.496 15.510 1.409 1.00 0.00 H new ATOM 1438 N SER A 90 -1.508 15.419 4.543 1.00 0.00 N ATOM 1439 CA SER A 90 -0.344 15.253 5.406 1.00 0.00 C ATOM 1440 C SER A 90 -0.514 14.047 6.325 1.00 0.00 C ATOM 1441 O SER A 90 -0.004 14.033 7.444 1.00 0.00 O ATOM 1442 CB SER A 90 -0.116 16.516 6.237 1.00 0.00 C ATOM 1443 OG SER A 90 0.016 17.657 5.407 1.00 0.00 O ATOM 0 H SER A 90 -2.341 15.762 5.021 1.00 0.00 H new ATOM 0 HA SER A 90 0.526 15.082 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.950 16.658 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.782 16.398 6.844 1.00 0.00 H new ATOM 0 HG SER A 90 0.159 18.451 5.963 1.00 0.00 H new ATOM 1449 N ASP A 91 -1.234 13.039 5.844 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.469 11.829 6.623 1.00 0.00 C ATOM 1451 C ASP A 91 -1.595 10.610 5.710 1.00 0.00 C ATOM 1452 O ASP A 91 -2.679 10.045 5.557 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.734 11.983 7.471 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.424 12.332 8.914 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -2.026 13.487 9.173 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.577 11.449 9.784 1.00 0.00 O ATOM 0 H ASP A 91 -1.664 13.036 4.919 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.615 11.677 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.365 12.760 7.040 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.305 11.055 7.439 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.480 10.185 5.091 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.468 9.027 4.192 1.00 0.00 C ATOM 1463 C PRO A 92 -0.859 7.738 4.905 1.00 0.00 C ATOM 1464 O PRO A 92 -1.623 6.931 4.377 1.00 0.00 O ATOM 1465 CB PRO A 92 0.986 8.954 3.709 1.00 0.00 C ATOM 1466 CG PRO A 92 1.770 9.718 4.719 1.00 0.00 C ATOM 1467 CD PRO A 92 0.853 10.797 5.219 1.00 0.00 C ATOM 0 HA PRO A 92 -1.190 9.136 3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.328 7.921 3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.094 9.389 2.715 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.093 9.071 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.670 10.144 4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.075 11.069 6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.938 11.707 4.624 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.331 7.551 6.110 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.624 6.358 6.898 1.00 0.00 C ATOM 1477 C LEU A 93 -2.120 6.248 7.177 1.00 0.00 C ATOM 1478 O LEU A 93 -2.708 5.174 7.049 1.00 0.00 O ATOM 1479 CB LEU A 93 0.152 6.385 8.215 1.00 0.00 C ATOM 1480 CG LEU A 93 0.599 5.017 8.731 1.00 0.00 C ATOM 1481 CD1 LEU A 93 1.461 4.312 7.697 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.352 5.164 10.045 1.00 0.00 C ATOM 0 H LEU A 93 0.302 8.210 6.563 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.313 5.486 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.033 7.014 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.469 6.858 8.976 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.288 4.409 8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.770 3.340 8.082 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.889 4.174 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.344 4.916 7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.663 4.181 10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.231 5.790 9.892 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.702 5.627 10.787 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.729 7.366 7.557 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.151 7.374 7.845 1.00 0.00 C ATOM 1496 C GLY A 94 -4.988 7.067 6.620 1.00 0.00 C ATOM 1497 O GLY A 94 -6.056 6.463 6.724 1.00 0.00 O ATOM 0 H GLY A 94 -2.263 8.266 7.671 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.366 6.641 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.434 8.350 8.240 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.502 7.483 5.456 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.209 7.250 4.203 1.00 0.00 C ATOM 1503 C LEU A 95 -5.301 5.758 3.899 1.00 0.00 C ATOM 1504 O LEU A 95 -6.349 5.263 3.483 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.507 7.980 3.055 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.391 8.951 2.268 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.577 10.142 1.788 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.047 8.242 1.095 1.00 0.00 C ATOM 0 H LEU A 95 -3.619 7.984 5.354 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.221 7.641 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.659 8.532 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.105 7.238 2.365 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.176 9.317 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.221 10.822 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.155 10.664 2.647 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.770 9.795 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.672 8.947 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.277 7.847 0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.663 7.422 1.464 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.199 5.046 4.110 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.159 3.610 3.859 1.00 0.00 C ATOM 1522 C ILE A 96 -5.096 2.861 4.800 1.00 0.00 C ATOM 1523 O ILE A 96 -5.831 1.969 4.382 1.00 0.00 O ATOM 1524 CB ILE A 96 -2.731 3.049 4.018 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -1.743 3.865 3.182 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -2.687 1.582 3.613 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.083 3.902 1.708 1.00 0.00 C ATOM 0 H ILE A 96 -3.323 5.439 4.454 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.486 3.460 2.830 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.443 3.125 5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.712 4.885 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.744 3.447 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.672 1.202 3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.365 1.009 4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.992 1.483 2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.340 4.498 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.086 2.887 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.069 4.347 1.573 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.065 3.234 6.077 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.913 2.597 7.077 1.00 0.00 C ATOM 1541 C ALA A 97 -7.387 2.866 6.797 1.00 0.00 C ATOM 1542 O ALA A 97 -8.232 1.985 6.956 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.540 3.083 8.470 1.00 0.00 C ATOM 0 H ALA A 97 -4.463 3.972 6.442 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.751 1.520 7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.181 2.600 9.208 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.499 2.835 8.675 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.673 4.163 8.526 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.689 4.092 6.379 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.062 4.481 6.076 1.00 0.00 C ATOM 1551 C TYR A 98 -9.564 3.773 4.820 1.00 0.00 C ATOM 1552 O TYR A 98 -10.672 3.238 4.798 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.155 5.997 5.892 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.550 6.546 6.084 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.042 6.815 7.355 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.375 6.796 4.994 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.317 7.319 7.534 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.649 7.299 5.165 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.116 7.559 6.436 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.387 8.060 6.611 1.00 0.00 O ATOM 0 H TYR A 98 -7.001 4.833 6.243 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.691 4.184 6.915 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.482 6.482 6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.807 6.255 4.892 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.419 6.627 8.217 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.013 6.593 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.685 7.524 8.528 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.277 7.488 4.307 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.817 8.173 5.738 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.739 3.775 3.778 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.098 3.136 2.518 1.00 0.00 C ATOM 1572 C LEU A 99 -9.367 1.647 2.719 1.00 0.00 C ATOM 1573 O LEU A 99 -10.202 1.059 2.032 1.00 0.00 O ATOM 1574 CB LEU A 99 -7.984 3.331 1.487 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.463 3.655 0.069 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.822 4.940 -0.436 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -8.159 2.500 -0.876 1.00 0.00 C ATOM 0 H LEU A 99 -7.817 4.212 3.782 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.011 3.605 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.332 4.136 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.380 2.425 1.452 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.543 3.801 0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.176 5.151 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.092 5.765 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.738 4.825 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.507 2.749 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.084 2.322 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.668 1.601 -0.528 1.00 0.00 H new ATOM 1589 N SER A 100 -8.654 1.044 3.664 1.00 0.00 N ATOM 1590 CA SER A 100 -8.815 -0.375 3.955 1.00 0.00 C ATOM 1591 C SER A 100 -10.198 -0.659 4.535 1.00 0.00 C ATOM 1592 O SER A 100 -10.858 -1.624 4.148 1.00 0.00 O ATOM 1593 CB SER A 100 -7.734 -0.845 4.930 1.00 0.00 C ATOM 1594 OG SER A 100 -7.249 -2.128 4.575 1.00 0.00 O ATOM 0 H SER A 100 -7.959 1.516 4.242 1.00 0.00 H new ATOM 0 HA SER A 100 -8.713 -0.925 3.019 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.911 -0.131 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.140 -0.873 5.941 1.00 0.00 H new ATOM 0 HG SER A 100 -6.558 -2.405 5.213 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.629 0.187 5.464 1.00 0.00 N ATOM 1601 CA HIS A 101 -11.932 0.026 6.099 1.00 0.00 C ATOM 1602 C HIS A 101 -13.056 0.149 5.074 1.00 0.00 C ATOM 1603 O HIS A 101 -13.967 -0.679 5.035 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.118 1.070 7.201 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.937 0.582 8.355 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -14.234 0.133 8.221 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -12.640 0.472 9.671 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -14.699 -0.230 9.403 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.750 -0.034 10.300 1.00 0.00 N ATOM 0 H HIS A 101 -10.095 0.991 5.794 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.972 -0.970 6.540 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.139 1.379 7.566 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.594 1.954 6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.703 0.734 10.139 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.686 -0.620 9.602 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.829 -0.227 11.298 1.00 0.00 H new ATOM 1618 N PHE A 102 -12.985 1.187 4.248 1.00 0.00 N ATOM 1619 CA PHE A 102 -13.996 1.418 3.221 1.00 0.00 C ATOM 1620 C PHE A 102 -14.022 0.273 2.214 1.00 0.00 C ATOM 1621 O PHE A 102 -15.077 -0.082 1.690 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.730 2.744 2.505 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.684 3.837 2.890 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -14.736 4.300 4.196 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.531 4.402 1.949 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -15.613 5.306 4.555 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.409 5.408 2.301 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.451 5.860 3.606 1.00 0.00 C ATOM 0 H PHE A 102 -12.239 1.882 4.269 1.00 0.00 H new ATOM 0 HA PHE A 102 -14.970 1.467 3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.712 3.068 2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.789 2.584 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.084 3.869 4.941 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.504 4.051 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -15.643 5.659 5.575 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -17.062 5.841 1.557 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.138 6.645 3.884 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.853 -0.301 1.947 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.742 -1.405 1.002 1.00 0.00 C ATOM 1640 C HIS A 103 -13.462 -2.644 1.524 1.00 0.00 C ATOM 1641 O HIS A 103 -14.228 -3.280 0.799 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.272 -1.729 0.735 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.066 -2.703 -0.383 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.630 -3.910 -0.623 1.00 0.00 N flip ATOM 1645 CD2 HIS A 103 -10.188 -2.480 -1.424 1.00 0.00 C flip ATOM 1646 CE1 HIS A 103 -11.088 -4.387 -1.790 1.00 0.00 C flip ATOM 1647 NE2 HIS A 103 -10.222 -3.506 -2.254 1.00 0.00 N flip ATOM 0 H HIS A 103 -11.970 -0.019 2.372 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.215 -1.100 0.069 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.741 -0.805 0.503 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.827 -2.133 1.644 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -9.569 -1.603 -1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -11.331 -5.331 -2.254 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -9.673 -3.601 -3.108 1.00 0.00 H new ATOM 1656 N SER A 104 -13.208 -2.984 2.783 1.00 0.00 N ATOM 1657 CA SER A 104 -13.832 -4.148 3.400 1.00 0.00 C ATOM 1658 C SER A 104 -15.340 -3.957 3.528 1.00 0.00 C ATOM 1659 O SER A 104 -16.117 -4.878 3.275 1.00 0.00 O ATOM 1660 CB SER A 104 -13.221 -4.410 4.779 1.00 0.00 C ATOM 1661 OG SER A 104 -13.250 -5.789 5.096 1.00 0.00 O ATOM 0 H SER A 104 -12.575 -2.470 3.396 1.00 0.00 H new ATOM 0 HA SER A 104 -13.647 -5.009 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.192 -4.051 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.769 -3.848 5.536 1.00 0.00 H new ATOM 0 HG SER A 104 -12.853 -5.930 5.981 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.749 -2.756 3.924 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.163 -2.444 4.085 1.00 0.00 C ATOM 1669 C ALA A 105 -17.890 -2.479 2.746 1.00 0.00 C ATOM 1670 O ALA A 105 -19.012 -2.975 2.649 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.332 -1.085 4.743 1.00 0.00 C ATOM 0 H ALA A 105 -15.120 -1.983 4.139 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.605 -3.205 4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.394 -0.865 4.857 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.856 -1.094 5.724 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -16.868 -0.319 4.121 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.243 -1.947 1.714 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.829 -1.914 0.379 1.00 0.00 C ATOM 1679 C PHE A 106 -17.993 -3.325 -0.178 1.00 0.00 C ATOM 1680 O PHE A 106 -19.016 -3.651 -0.780 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.955 -1.083 -0.561 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.193 0.398 -0.455 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.427 0.995 0.773 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.181 1.193 -1.590 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.644 2.356 0.868 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.399 2.555 -1.501 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.631 3.137 -0.271 1.00 0.00 C ATOM 0 H PHE A 106 -16.313 -1.533 1.777 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.815 -1.454 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.907 -1.290 -0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.138 -1.399 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.440 0.389 1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.999 0.743 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -17.824 2.809 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.388 3.163 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.802 4.201 -0.199 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.978 -4.158 0.025 1.00 0.00 N ATOM 1698 CA LYS A 107 -17.008 -5.534 -0.456 1.00 0.00 C ATOM 1699 C LYS A 107 -18.130 -6.322 0.213 1.00 0.00 C ATOM 1700 O LYS A 107 -18.866 -7.055 -0.447 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.662 -6.215 -0.198 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.793 -6.335 -1.440 1.00 0.00 C ATOM 1703 CD LYS A 107 -14.925 -7.705 -2.083 1.00 0.00 C ATOM 1704 CE LYS A 107 -14.082 -8.743 -1.360 1.00 0.00 C ATOM 1705 NZ LYS A 107 -12.624 -8.512 -1.561 1.00 0.00 N ATOM 0 H LYS A 107 -16.123 -3.904 0.520 1.00 0.00 H new ATOM 0 HA LYS A 107 -17.197 -5.514 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -15.119 -5.653 0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.840 -7.211 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -15.076 -5.566 -2.159 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.751 -6.155 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -15.970 -8.013 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -14.618 -7.649 -3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -14.310 -8.718 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -14.345 -9.738 -1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.101 -9.384 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.448 -8.242 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.303 -7.749 -0.932 1.00 0.00 H new ATOM 1719 N SER A 108 -18.253 -6.166 1.528 1.00 0.00 N ATOM 1720 CA SER A 108 -19.284 -6.865 2.286 1.00 0.00 C ATOM 1721 C SER A 108 -20.677 -6.405 1.866 1.00 0.00 C ATOM 1722 O SER A 108 -21.541 -7.221 1.547 1.00 0.00 O ATOM 1723 CB SER A 108 -19.086 -6.636 3.786 1.00 0.00 C ATOM 1724 OG SER A 108 -18.571 -7.796 4.415 1.00 0.00 O ATOM 0 H SER A 108 -17.652 -5.563 2.089 1.00 0.00 H new ATOM 0 HA SER A 108 -19.196 -7.931 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 108 -18.404 -5.800 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 108 -20.036 -6.362 4.244 1.00 0.00 H new ATOM 0 HG SER A 108 -18.452 -7.623 5.372 1.00 0.00 H new ATOM 1730 N MET A 109 -20.888 -5.093 1.868 1.00 0.00 N ATOM 1731 CA MET A 109 -22.177 -4.526 1.488 1.00 0.00 C ATOM 1732 C MET A 109 -22.458 -4.760 0.007 1.00 0.00 C ATOM 1733 O MET A 109 -21.845 -4.062 -0.827 1.00 0.00 O ATOM 1734 CB MET A 109 -22.211 -3.028 1.796 1.00 0.00 C ATOM 1735 CG MET A 109 -23.612 -2.487 2.031 1.00 0.00 C ATOM 1736 SD MET A 109 -23.945 -0.980 1.095 1.00 0.00 S ATOM 1737 CE MET A 109 -24.276 0.176 2.422 1.00 0.00 C ATOM 1738 OXT MET A 109 -23.288 -5.638 -0.305 1.00 0.00 O ATOM 0 H MET A 109 -20.184 -4.403 2.128 1.00 0.00 H new ATOM 0 HA MET A 109 -22.951 -5.026 2.070 1.00 0.00 H new ATOM 0 HB2 MET A 109 -21.602 -2.833 2.679 1.00 0.00 H new ATOM 0 HB3 MET A 109 -21.755 -2.485 0.968 1.00 0.00 H new ATOM 0 HG2 MET A 109 -24.342 -3.249 1.756 1.00 0.00 H new ATOM 0 HG3 MET A 109 -23.746 -2.286 3.094 1.00 0.00 H new ATOM 0 HE1 MET A 109 -24.687 1.097 2.008 1.00 0.00 H new ATOM 0 HE2 MET A 109 -24.993 -0.262 3.116 1.00 0.00 H new ATOM 0 HE3 MET A 109 -23.349 0.398 2.951 1.00 0.00 H new TER 1748 MET A 109