USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1000 hydrogens (45 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= -0.0862 (180deg=-0.684) USER MOD Single : A 2 SER OG : rot -44:sc= 0.358 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 150:sc= -0.0847 (180deg=-0.738) USER MOD Single : A 38 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.43) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.884 K(o=0.88,f=-4.3!) USER MOD Single : A 54 GLN :FLIP amide:sc= 0.377 F(o=-4.2!,f=0.38) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -9.04! C(o=-9!,f=-18!) USER MOD Single : A 73 MET CE :methyl -111:sc= 0 (180deg=-0.141) USER MOD Single : A 75 ASN :FLIP amide:sc= -2.15! C(o=-3.7!,f=-2.1!) USER MOD Single : A 92 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-7.1!) USER MOD Single : A 99 GLN : amide:sc= -0.57 K(o=-0.57,f=-1.6!) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.539 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 113 ASN : amide:sc=-0.000772 X(o=-0.00077,f=0) USER MOD Single : A 121 THR OG1 : rot -4:sc= 0.951 USER MOD Single : A 123 THR OG1 : rot -140:sc= -0.267 USER MOD Single : A 125 TYR OH : rot -156:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.305 23.361 -24.460 1.00 1.00 N ATOM 2 CA MET A 1 79.781 21.971 -24.723 1.00 1.00 C ATOM 3 C MET A 1 78.594 21.013 -24.619 1.00 1.00 C ATOM 4 O MET A 1 77.559 21.350 -24.045 1.00 1.00 O ATOM 5 CB MET A 1 80.822 21.584 -23.664 1.00 1.00 C ATOM 6 CG MET A 1 82.029 22.522 -23.732 1.00 1.00 C ATOM 7 SD MET A 1 83.157 22.140 -22.370 1.00 1.00 S ATOM 8 CE MET A 1 84.493 23.251 -22.871 1.00 1.00 C ATOM 0 H1 MET A 1 79.725 24.009 -25.156 1.00 1.00 H new ATOM 0 H2 MET A 1 78.268 23.393 -24.538 1.00 1.00 H new ATOM 0 H3 MET A 1 79.590 23.650 -23.502 1.00 1.00 H new ATOM 0 HA MET A 1 80.225 21.915 -25.717 1.00 1.00 H new ATOM 0 HB2 MET A 1 80.374 21.629 -22.671 1.00 1.00 H new ATOM 0 HB3 MET A 1 81.144 20.555 -23.821 1.00 1.00 H new ATOM 0 HG2 MET A 1 82.541 22.406 -24.687 1.00 1.00 H new ATOM 0 HG3 MET A 1 81.702 23.560 -23.669 1.00 1.00 H new ATOM 0 HE1 MET A 1 85.314 23.178 -22.157 1.00 1.00 H new ATOM 0 HE2 MET A 1 84.848 22.969 -23.862 1.00 1.00 H new ATOM 0 HE3 MET A 1 84.124 24.276 -22.896 1.00 1.00 H new ATOM 18 N SER A 2 78.759 19.812 -25.157 1.00 1.00 N ATOM 19 CA SER A 2 77.713 18.793 -25.107 1.00 1.00 C ATOM 20 C SER A 2 77.518 18.278 -23.683 1.00 1.00 C ATOM 21 O SER A 2 76.805 17.301 -23.492 1.00 1.00 O ATOM 22 CB SER A 2 78.062 17.629 -26.031 1.00 1.00 C ATOM 23 OG SER A 2 76.896 16.855 -26.279 1.00 1.00 O ATOM 0 H SER A 2 79.610 19.516 -25.635 1.00 1.00 H new ATOM 0 HA SER A 2 76.782 19.252 -25.441 1.00 1.00 H new ATOM 0 HB2 SER A 2 78.468 18.005 -26.970 1.00 1.00 H new ATOM 0 HB3 SER A 2 78.834 17.008 -25.576 1.00 1.00 H new ATOM 0 HG SER A 2 76.409 16.719 -25.440 1.00 1.00 H new ATOM 29 N ASP A 3 78.151 18.960 -22.715 1.00 1.00 N ATOM 30 CA ASP A 3 78.065 18.622 -21.271 1.00 1.00 C ATOM 31 C ASP A 3 79.443 18.748 -20.623 1.00 1.00 C ATOM 32 O ASP A 3 80.458 18.405 -21.226 1.00 1.00 O ATOM 33 CB ASP A 3 77.516 17.200 -21.004 1.00 1.00 C ATOM 34 CG ASP A 3 75.991 17.157 -21.164 1.00 1.00 C ATOM 35 OD1 ASP A 3 75.373 18.203 -21.093 1.00 1.00 O ATOM 36 OD2 ASP A 3 75.466 16.067 -21.343 1.00 1.00 O ATOM 0 H ASP A 3 78.743 19.768 -22.906 1.00 1.00 H new ATOM 0 HA ASP A 3 77.361 19.330 -20.834 1.00 1.00 H new ATOM 0 HB2 ASP A 3 77.977 16.493 -21.694 1.00 1.00 H new ATOM 0 HB3 ASP A 3 77.788 16.885 -19.997 1.00 1.00 H new ATOM 41 N PHE A 4 79.461 19.231 -19.380 1.00 1.00 N ATOM 42 CA PHE A 4 80.715 19.388 -18.642 1.00 1.00 C ATOM 43 C PHE A 4 80.458 19.385 -17.138 1.00 1.00 C ATOM 44 O PHE A 4 79.384 19.772 -16.678 1.00 1.00 O ATOM 45 CB PHE A 4 81.407 20.697 -19.028 1.00 1.00 C ATOM 46 CG PHE A 4 82.791 20.732 -18.421 1.00 1.00 C ATOM 47 CD1 PHE A 4 83.838 20.035 -19.037 1.00 1.00 C ATOM 48 CD2 PHE A 4 83.033 21.460 -17.248 1.00 1.00 C ATOM 49 CE1 PHE A 4 85.124 20.064 -18.483 1.00 1.00 C ATOM 50 CE2 PHE A 4 84.319 21.489 -16.693 1.00 1.00 C ATOM 51 CZ PHE A 4 85.364 20.791 -17.311 1.00 1.00 C ATOM 0 H PHE A 4 78.628 19.518 -18.866 1.00 1.00 H new ATOM 0 HA PHE A 4 81.360 18.548 -18.900 1.00 1.00 H new ATOM 0 HB2 PHE A 4 81.472 20.781 -20.113 1.00 1.00 H new ATOM 0 HB3 PHE A 4 80.822 21.547 -18.677 1.00 1.00 H new ATOM 0 HD1 PHE A 4 83.653 19.474 -19.941 1.00 1.00 H new ATOM 0 HD2 PHE A 4 82.227 21.999 -16.772 1.00 1.00 H new ATOM 0 HE1 PHE A 4 85.930 19.526 -18.960 1.00 1.00 H new ATOM 0 HE2 PHE A 4 84.504 22.050 -15.789 1.00 1.00 H new ATOM 0 HZ PHE A 4 86.355 20.814 -16.883 1.00 1.00 H new ATOM 61 N ASP A 5 81.461 18.958 -16.377 1.00 1.00 N ATOM 62 CA ASP A 5 81.359 18.913 -14.920 1.00 1.00 C ATOM 63 C ASP A 5 82.752 19.121 -14.313 1.00 1.00 C ATOM 64 O ASP A 5 83.751 18.711 -14.899 1.00 1.00 O ATOM 65 CB ASP A 5 80.777 17.562 -14.484 1.00 1.00 C ATOM 66 CG ASP A 5 79.345 17.422 -15.001 1.00 1.00 C ATOM 67 OD1 ASP A 5 78.563 18.331 -14.777 1.00 1.00 O ATOM 68 OD2 ASP A 5 79.052 16.405 -15.610 1.00 1.00 O ATOM 0 H ASP A 5 82.356 18.637 -16.745 1.00 1.00 H new ATOM 0 HA ASP A 5 80.696 19.704 -14.569 1.00 1.00 H new ATOM 0 HB2 ASP A 5 81.393 16.749 -14.869 1.00 1.00 H new ATOM 0 HB3 ASP A 5 80.790 17.484 -13.397 1.00 1.00 H new ATOM 73 N THR A 6 82.823 19.779 -13.150 1.00 1.00 N ATOM 74 CA THR A 6 84.121 20.049 -12.509 1.00 1.00 C ATOM 75 C THR A 6 84.550 18.881 -11.598 1.00 1.00 C ATOM 76 O THR A 6 83.863 17.913 -11.472 1.00 1.00 O ATOM 77 CB THR A 6 84.041 21.387 -11.736 1.00 1.00 C ATOM 78 OG1 THR A 6 82.965 22.156 -12.261 1.00 1.00 O ATOM 79 CG2 THR A 6 85.344 22.185 -11.894 1.00 1.00 C ATOM 0 H THR A 6 82.014 20.130 -12.638 1.00 1.00 H new ATOM 0 HA THR A 6 84.889 20.138 -13.277 1.00 1.00 H new ATOM 0 HB THR A 6 83.884 21.174 -10.678 1.00 1.00 H new ATOM 0 HG1 THR A 6 82.904 23.006 -11.777 1.00 1.00 H new ATOM 0 HG21 THR A 6 85.266 23.122 -11.343 1.00 1.00 H new ATOM 0 HG22 THR A 6 86.178 21.602 -11.502 1.00 1.00 H new ATOM 0 HG23 THR A 6 85.514 22.398 -12.949 1.00 1.00 H new ATOM 87 N GLU A 7 85.718 18.996 -11.012 1.00 1.00 N ATOM 88 CA GLU A 7 86.271 17.933 -10.151 1.00 1.00 C ATOM 89 C GLU A 7 85.313 17.599 -9.016 1.00 1.00 C ATOM 90 O GLU A 7 84.906 16.453 -8.830 1.00 1.00 O ATOM 91 CB GLU A 7 87.593 18.411 -9.532 1.00 1.00 C ATOM 92 CG GLU A 7 88.147 17.352 -8.561 1.00 1.00 C ATOM 93 CD GLU A 7 87.445 17.439 -7.204 1.00 1.00 C ATOM 94 OE1 GLU A 7 87.307 18.539 -6.695 1.00 1.00 O ATOM 95 OE2 GLU A 7 87.055 16.399 -6.696 1.00 1.00 O ATOM 0 H GLU A 7 86.320 19.814 -11.106 1.00 1.00 H new ATOM 0 HA GLU A 7 86.427 17.047 -10.767 1.00 1.00 H new ATOM 0 HB2 GLU A 7 88.321 18.607 -10.320 1.00 1.00 H new ATOM 0 HB3 GLU A 7 87.435 19.351 -9.003 1.00 1.00 H new ATOM 0 HG2 GLU A 7 88.009 16.357 -8.984 1.00 1.00 H new ATOM 0 HG3 GLU A 7 89.219 17.497 -8.431 1.00 1.00 H new ATOM 102 N ARG A 8 85.015 18.625 -8.244 1.00 1.00 N ATOM 103 CA ARG A 8 84.139 18.424 -7.093 1.00 1.00 C ATOM 104 C ARG A 8 82.849 17.789 -7.595 1.00 1.00 C ATOM 105 O ARG A 8 82.467 16.690 -7.185 1.00 1.00 O ATOM 106 CB ARG A 8 83.857 19.746 -6.357 1.00 1.00 C ATOM 107 CG ARG A 8 82.724 19.551 -5.338 1.00 1.00 C ATOM 108 CD ARG A 8 82.601 20.806 -4.474 1.00 1.00 C ATOM 109 NE ARG A 8 82.554 21.995 -5.318 1.00 1.00 N ATOM 110 CZ ARG A 8 81.429 22.390 -5.905 1.00 1.00 C ATOM 111 NH1 ARG A 8 80.333 21.700 -5.752 1.00 1.00 N ATOM 112 NH2 ARG A 8 81.426 23.465 -6.645 1.00 1.00 N ATOM 0 H ARG A 8 85.350 19.579 -8.380 1.00 1.00 H new ATOM 0 HA ARG A 8 84.625 17.769 -6.370 1.00 1.00 H new ATOM 0 HB2 ARG A 8 84.759 20.088 -5.849 1.00 1.00 H new ATOM 0 HB3 ARG A 8 83.582 20.519 -7.074 1.00 1.00 H new ATOM 0 HG2 ARG A 8 81.784 19.357 -5.855 1.00 1.00 H new ATOM 0 HG3 ARG A 8 82.928 18.683 -4.712 1.00 1.00 H new ATOM 0 HD2 ARG A 8 81.700 20.749 -3.863 1.00 1.00 H new ATOM 0 HD3 ARG A 8 83.447 20.870 -3.790 1.00 1.00 H new ATOM 0 HE ARG A 8 83.406 22.537 -5.461 1.00 1.00 H new ATOM 0 HH11 ARG A 8 80.338 20.855 -5.181 1.00 1.00 H new ATOM 0 HH12 ARG A 8 79.471 22.005 -6.204 1.00 1.00 H new ATOM 0 HH21 ARG A 8 82.286 23.999 -6.772 1.00 1.00 H new ATOM 0 HH22 ARG A 8 80.564 23.771 -7.097 1.00 1.00 H new ATOM 126 N VAL A 9 82.221 18.486 -8.523 1.00 1.00 N ATOM 127 CA VAL A 9 80.987 17.991 -9.114 1.00 1.00 C ATOM 128 C VAL A 9 81.251 16.719 -9.934 1.00 1.00 C ATOM 129 O VAL A 9 80.613 15.741 -9.716 1.00 1.00 O ATOM 130 CB VAL A 9 80.316 19.082 -9.991 1.00 1.00 C ATOM 131 CG1 VAL A 9 79.206 19.786 -9.207 1.00 1.00 C ATOM 132 CG2 VAL A 9 81.365 20.113 -10.405 1.00 1.00 C ATOM 0 H VAL A 9 82.538 19.386 -8.882 1.00 1.00 H new ATOM 0 HA VAL A 9 80.301 17.740 -8.305 1.00 1.00 H new ATOM 0 HB VAL A 9 79.885 18.609 -10.874 1.00 1.00 H new ATOM 0 HG11 VAL A 9 78.745 20.548 -9.835 1.00 1.00 H new ATOM 0 HG12 VAL A 9 78.453 19.057 -8.909 1.00 1.00 H new ATOM 0 HG13 VAL A 9 79.629 20.255 -8.319 1.00 1.00 H new ATOM 0 HG21 VAL A 9 80.897 20.881 -11.021 1.00 1.00 H new ATOM 0 HG22 VAL A 9 81.794 20.573 -9.515 1.00 1.00 H new ATOM 0 HG23 VAL A 9 82.153 19.621 -10.975 1.00 1.00 H new ATOM 142 N SER A 10 82.173 16.751 -10.875 1.00 1.00 N ATOM 143 CA SER A 10 82.424 15.550 -11.714 1.00 1.00 C ATOM 144 C SER A 10 83.017 14.396 -10.914 1.00 1.00 C ATOM 145 O SER A 10 82.434 13.321 -10.863 1.00 1.00 O ATOM 146 CB SER A 10 83.401 15.848 -12.861 1.00 1.00 C ATOM 147 OG SER A 10 83.393 14.759 -13.773 1.00 1.00 O ATOM 0 H SER A 10 82.756 17.560 -11.090 1.00 1.00 H new ATOM 0 HA SER A 10 81.446 15.270 -12.105 1.00 1.00 H new ATOM 0 HB2 SER A 10 83.113 16.767 -13.371 1.00 1.00 H new ATOM 0 HB3 SER A 10 84.406 16.002 -12.468 1.00 1.00 H new ATOM 0 HG SER A 10 84.014 14.944 -14.509 1.00 1.00 H new ATOM 153 N ARG A 11 84.220 14.585 -10.397 1.00 1.00 N ATOM 154 CA ARG A 11 84.922 13.504 -9.703 1.00 1.00 C ATOM 155 C ARG A 11 84.173 13.070 -8.452 1.00 1.00 C ATOM 156 O ARG A 11 83.860 11.900 -8.277 1.00 1.00 O ATOM 157 CB ARG A 11 86.321 14.002 -9.310 1.00 1.00 C ATOM 158 CG ARG A 11 87.267 12.815 -9.075 1.00 1.00 C ATOM 159 CD ARG A 11 87.923 12.407 -10.400 1.00 1.00 C ATOM 160 NE ARG A 11 88.595 11.123 -10.251 1.00 1.00 N ATOM 161 CZ ARG A 11 89.869 11.036 -9.881 1.00 1.00 C ATOM 162 NH1 ARG A 11 90.561 12.115 -9.635 1.00 1.00 N ATOM 163 NH2 ARG A 11 90.428 9.863 -9.761 1.00 1.00 N ATOM 0 H ARG A 11 84.732 15.466 -10.441 1.00 1.00 H new ATOM 0 HA ARG A 11 84.990 12.645 -10.371 1.00 1.00 H new ATOM 0 HB2 ARG A 11 86.720 14.643 -10.097 1.00 1.00 H new ATOM 0 HB3 ARG A 11 86.257 14.609 -8.407 1.00 1.00 H new ATOM 0 HG2 ARG A 11 88.032 13.086 -8.347 1.00 1.00 H new ATOM 0 HG3 ARG A 11 86.714 11.974 -8.658 1.00 1.00 H new ATOM 0 HD2 ARG A 11 87.168 12.343 -11.184 1.00 1.00 H new ATOM 0 HD3 ARG A 11 88.640 13.168 -10.709 1.00 1.00 H new ATOM 0 HE ARG A 11 88.073 10.266 -10.436 1.00 1.00 H new ATOM 0 HH11 ARG A 11 90.125 13.032 -9.726 1.00 1.00 H new ATOM 0 HH12 ARG A 11 91.538 12.041 -9.352 1.00 1.00 H new ATOM 0 HH21 ARG A 11 89.888 9.019 -9.951 1.00 1.00 H new ATOM 0 HH22 ARG A 11 91.405 9.790 -9.477 1.00 1.00 H new ATOM 177 N ALA A 12 83.976 14.013 -7.547 1.00 1.00 N ATOM 178 CA ALA A 12 83.340 13.637 -6.284 1.00 1.00 C ATOM 179 C ALA A 12 82.065 12.885 -6.648 1.00 1.00 C ATOM 180 O ALA A 12 81.794 11.805 -6.135 1.00 1.00 O ATOM 181 CB ALA A 12 83.038 14.828 -5.365 1.00 1.00 C ATOM 0 H ALA A 12 84.229 14.996 -7.646 1.00 1.00 H new ATOM 0 HA ALA A 12 84.027 13.018 -5.707 1.00 1.00 H new ATOM 0 HB1 ALA A 12 82.567 14.471 -4.449 1.00 1.00 H new ATOM 0 HB2 ALA A 12 83.967 15.342 -5.119 1.00 1.00 H new ATOM 0 HB3 ALA A 12 82.365 15.518 -5.873 1.00 1.00 H new ATOM 187 N VAL A 13 81.329 13.466 -7.577 1.00 1.00 N ATOM 188 CA VAL A 13 80.119 12.805 -8.038 1.00 1.00 C ATOM 189 C VAL A 13 80.519 11.488 -8.670 1.00 1.00 C ATOM 190 O VAL A 13 79.987 10.469 -8.326 1.00 1.00 O ATOM 191 CB VAL A 13 79.324 13.634 -9.054 1.00 1.00 C ATOM 192 CG1 VAL A 13 78.172 12.823 -9.671 1.00 1.00 C ATOM 193 CG2 VAL A 13 78.731 14.853 -8.332 1.00 1.00 C ATOM 0 H VAL A 13 81.536 14.363 -8.016 1.00 1.00 H new ATOM 0 HA VAL A 13 79.466 12.663 -7.177 1.00 1.00 H new ATOM 0 HB VAL A 13 79.999 13.934 -9.855 1.00 1.00 H new ATOM 0 HG11 VAL A 13 77.632 13.444 -10.386 1.00 1.00 H new ATOM 0 HG12 VAL A 13 78.575 11.949 -10.182 1.00 1.00 H new ATOM 0 HG13 VAL A 13 77.491 12.501 -8.883 1.00 1.00 H new ATOM 0 HG21 VAL A 13 78.162 15.454 -9.041 1.00 1.00 H new ATOM 0 HG22 VAL A 13 78.073 14.517 -7.531 1.00 1.00 H new ATOM 0 HG23 VAL A 13 79.537 15.454 -7.911 1.00 1.00 H new ATOM 203 N ALA A 14 81.468 11.484 -9.589 1.00 1.00 N ATOM 204 CA ALA A 14 81.807 10.202 -10.196 1.00 1.00 C ATOM 205 C ALA A 14 82.214 9.231 -9.108 1.00 1.00 C ATOM 206 O ALA A 14 81.570 8.225 -8.932 1.00 1.00 O ATOM 207 CB ALA A 14 82.948 10.324 -11.219 1.00 1.00 C ATOM 0 H ALA A 14 81.991 12.296 -9.918 1.00 1.00 H new ATOM 0 HA ALA A 14 80.926 9.843 -10.727 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.163 9.343 -11.643 1.00 1.00 H new ATOM 0 HB2 ALA A 14 82.651 11.006 -12.016 1.00 1.00 H new ATOM 0 HB3 ALA A 14 83.840 10.709 -10.725 1.00 1.00 H new ATOM 213 N ALA A 15 83.287 9.552 -8.403 1.00 1.00 N ATOM 214 CA ALA A 15 83.769 8.655 -7.349 1.00 1.00 C ATOM 215 C ALA A 15 82.628 8.345 -6.372 1.00 1.00 C ATOM 216 O ALA A 15 82.326 7.198 -6.110 1.00 1.00 O ATOM 217 CB ALA A 15 84.956 9.259 -6.593 1.00 1.00 C ATOM 0 H ALA A 15 83.834 10.404 -8.531 1.00 1.00 H new ATOM 0 HA ALA A 15 84.110 7.733 -7.820 1.00 1.00 H new ATOM 0 HB1 ALA A 15 85.286 8.565 -5.820 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.775 9.443 -7.289 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.653 10.199 -6.132 1.00 1.00 H new ATOM 223 N ALA A 16 82.012 9.388 -5.843 1.00 1.00 N ATOM 224 CA ALA A 16 80.907 9.186 -4.889 1.00 1.00 C ATOM 225 C ALA A 16 79.727 8.478 -5.583 1.00 1.00 C ATOM 226 O ALA A 16 79.263 7.424 -5.139 1.00 1.00 O ATOM 227 CB ALA A 16 80.410 10.522 -4.333 1.00 1.00 C ATOM 0 H ALA A 16 82.241 10.362 -6.043 1.00 1.00 H new ATOM 0 HA ALA A 16 81.286 8.573 -4.072 1.00 1.00 H new ATOM 0 HB1 ALA A 16 79.595 10.344 -3.632 1.00 1.00 H new ATOM 0 HB2 ALA A 16 81.227 11.028 -3.819 1.00 1.00 H new ATOM 0 HB3 ALA A 16 80.054 11.147 -5.152 1.00 1.00 H new ATOM 233 N LEU A 17 79.243 9.114 -6.644 1.00 1.00 N ATOM 234 CA LEU A 17 78.081 8.583 -7.392 1.00 1.00 C ATOM 235 C LEU A 17 78.412 7.164 -7.830 1.00 1.00 C ATOM 236 O LEU A 17 77.663 6.234 -7.555 1.00 1.00 O ATOM 237 CB LEU A 17 77.755 9.438 -8.634 1.00 1.00 C ATOM 238 CG LEU A 17 76.395 9.074 -9.239 1.00 1.00 C ATOM 239 CD1 LEU A 17 76.027 10.145 -10.273 1.00 1.00 C ATOM 240 CD2 LEU A 17 76.453 7.694 -9.929 1.00 1.00 C ATOM 0 H LEU A 17 79.622 9.987 -7.011 1.00 1.00 H new ATOM 0 HA LEU A 17 77.206 8.605 -6.742 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.759 10.493 -8.360 1.00 1.00 H new ATOM 0 HB3 LEU A 17 78.534 9.301 -9.384 1.00 1.00 H new ATOM 0 HG LEU A 17 75.648 9.028 -8.447 1.00 1.00 H new ATOM 0 HD11 LEU A 17 75.061 9.905 -10.717 1.00 1.00 H new ATOM 0 HD12 LEU A 17 75.971 11.118 -9.785 1.00 1.00 H new ATOM 0 HD13 LEU A 17 76.788 10.174 -11.053 1.00 1.00 H new ATOM 0 HD21 LEU A 17 75.476 7.457 -10.351 1.00 1.00 H new ATOM 0 HD22 LEU A 17 77.197 7.716 -10.726 1.00 1.00 H new ATOM 0 HD23 LEU A 17 76.727 6.933 -9.198 1.00 1.00 H new ATOM 252 N VAL A 18 79.532 7.000 -8.523 1.00 1.00 N ATOM 253 CA VAL A 18 79.908 5.660 -8.972 1.00 1.00 C ATOM 254 C VAL A 18 80.302 4.816 -7.756 1.00 1.00 C ATOM 255 O VAL A 18 79.728 3.755 -7.513 1.00 1.00 O ATOM 256 CB VAL A 18 81.042 5.698 -10.049 1.00 1.00 C ATOM 257 CG1 VAL A 18 80.795 6.863 -11.058 1.00 1.00 C ATOM 258 CG2 VAL A 18 82.455 5.840 -9.418 1.00 1.00 C ATOM 0 H VAL A 18 80.177 7.747 -8.781 1.00 1.00 H new ATOM 0 HA VAL A 18 79.050 5.199 -9.460 1.00 1.00 H new ATOM 0 HB VAL A 18 81.011 4.744 -10.575 1.00 1.00 H new ATOM 0 HG11 VAL A 18 81.592 6.876 -11.801 1.00 1.00 H new ATOM 0 HG12 VAL A 18 79.837 6.716 -11.557 1.00 1.00 H new ATOM 0 HG13 VAL A 18 80.783 7.812 -10.522 1.00 1.00 H new ATOM 0 HG21 VAL A 18 83.206 5.861 -10.208 1.00 1.00 H new ATOM 0 HG22 VAL A 18 82.506 6.765 -8.844 1.00 1.00 H new ATOM 0 HG23 VAL A 18 82.646 4.993 -8.759 1.00 1.00 H new ATOM 268 N GLY A 19 81.301 5.284 -7.016 1.00 1.00 N ATOM 269 CA GLY A 19 81.797 4.563 -5.858 1.00 1.00 C ATOM 270 C GLY A 19 80.687 4.263 -4.883 1.00 1.00 C ATOM 271 O GLY A 19 79.512 4.374 -5.211 1.00 1.00 O ATOM 0 H GLY A 19 81.783 6.164 -7.202 1.00 1.00 H new ATOM 0 HA2 GLY A 19 82.263 3.632 -6.179 1.00 1.00 H new ATOM 0 HA3 GLY A 19 82.569 5.152 -5.363 1.00 1.00 H new ATOM 275 N PRO A 20 81.042 3.857 -3.704 1.00 1.00 N ATOM 276 CA PRO A 20 80.075 3.500 -2.666 1.00 1.00 C ATOM 277 C PRO A 20 79.572 4.712 -1.895 1.00 1.00 C ATOM 278 O PRO A 20 78.482 4.670 -1.373 1.00 1.00 O ATOM 279 CB PRO A 20 80.852 2.513 -1.790 1.00 1.00 C ATOM 280 CG PRO A 20 82.291 2.931 -1.913 1.00 1.00 C ATOM 281 CD PRO A 20 82.421 3.734 -3.214 1.00 1.00 C ATOM 0 HA PRO A 20 79.159 3.067 -3.069 1.00 1.00 H new ATOM 0 HB2 PRO A 20 80.516 2.556 -0.754 1.00 1.00 H new ATOM 0 HB3 PRO A 20 80.709 1.487 -2.129 1.00 1.00 H new ATOM 0 HG2 PRO A 20 82.591 3.535 -1.057 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.945 2.059 -1.932 1.00 1.00 H new ATOM 0 HD2 PRO A 20 82.868 4.712 -3.035 1.00 1.00 H new ATOM 0 HD3 PRO A 20 83.056 3.221 -3.936 1.00 1.00 H new ATOM 289 N GLY A 21 80.390 5.773 -1.774 1.00 1.00 N ATOM 290 CA GLY A 21 79.961 6.933 -0.971 1.00 1.00 C ATOM 291 C GLY A 21 78.708 7.589 -1.543 1.00 1.00 C ATOM 292 O GLY A 21 77.687 7.697 -0.861 1.00 1.00 O ATOM 0 H GLY A 21 81.313 5.853 -2.201 1.00 1.00 H new ATOM 0 HA2 GLY A 21 79.768 6.614 0.053 1.00 1.00 H new ATOM 0 HA3 GLY A 21 80.768 7.665 -0.931 1.00 1.00 H new ATOM 296 N GLY A 22 78.785 8.054 -2.777 1.00 1.00 N ATOM 297 CA GLY A 22 77.600 8.718 -3.338 1.00 1.00 C ATOM 298 C GLY A 22 76.456 7.727 -3.224 1.00 1.00 C ATOM 299 O GLY A 22 75.390 8.042 -2.691 1.00 1.00 O ATOM 0 H GLY A 22 79.600 7.996 -3.388 1.00 1.00 H new ATOM 0 HA2 GLY A 22 77.375 9.635 -2.793 1.00 1.00 H new ATOM 0 HA3 GLY A 22 77.768 8.998 -4.378 1.00 1.00 H new ATOM 303 N VAL A 23 76.690 6.518 -3.705 1.00 1.00 N ATOM 304 CA VAL A 23 75.657 5.493 -3.605 1.00 1.00 C ATOM 305 C VAL A 23 75.328 5.250 -2.123 1.00 1.00 C ATOM 306 O VAL A 23 74.194 4.918 -1.784 1.00 1.00 O ATOM 307 CB VAL A 23 76.048 4.169 -4.280 1.00 1.00 C ATOM 308 CG1 VAL A 23 74.845 3.222 -4.233 1.00 1.00 C ATOM 309 CG2 VAL A 23 76.415 4.409 -5.744 1.00 1.00 C ATOM 0 H VAL A 23 77.557 6.224 -4.156 1.00 1.00 H new ATOM 0 HA VAL A 23 74.782 5.864 -4.138 1.00 1.00 H new ATOM 0 HB VAL A 23 76.904 3.741 -3.758 1.00 1.00 H new ATOM 0 HG11 VAL A 23 75.107 2.277 -4.709 1.00 1.00 H new ATOM 0 HG12 VAL A 23 74.565 3.041 -3.195 1.00 1.00 H new ATOM 0 HG13 VAL A 23 74.006 3.674 -4.762 1.00 1.00 H new ATOM 0 HG21 VAL A 23 76.690 3.463 -6.210 1.00 1.00 H new ATOM 0 HG22 VAL A 23 75.560 4.837 -6.268 1.00 1.00 H new ATOM 0 HG23 VAL A 23 77.257 5.099 -5.800 1.00 1.00 H new ATOM 319 N ALA A 24 76.334 5.392 -1.236 1.00 1.00 N ATOM 320 CA ALA A 24 76.064 5.140 0.184 1.00 1.00 C ATOM 321 C ALA A 24 74.976 6.071 0.690 1.00 1.00 C ATOM 322 O ALA A 24 73.921 5.612 1.105 1.00 1.00 O ATOM 323 CB ALA A 24 77.294 5.364 1.079 1.00 1.00 C ATOM 0 H ALA A 24 77.290 5.665 -1.464 1.00 1.00 H new ATOM 0 HA ALA A 24 75.763 4.094 0.243 1.00 1.00 H new ATOM 0 HB1 ALA A 24 77.030 5.162 2.117 1.00 1.00 H new ATOM 0 HB2 ALA A 24 78.095 4.693 0.771 1.00 1.00 H new ATOM 0 HB3 ALA A 24 77.629 6.397 0.985 1.00 1.00 H new ATOM 329 N LEU A 25 75.227 7.379 0.692 1.00 1.00 N ATOM 330 CA LEU A 25 74.229 8.301 1.212 1.00 1.00 C ATOM 331 C LEU A 25 72.960 8.233 0.399 1.00 1.00 C ATOM 332 O LEU A 25 71.861 8.235 0.953 1.00 1.00 O ATOM 333 CB LEU A 25 74.763 9.735 1.185 1.00 1.00 C ATOM 334 CG LEU A 25 75.919 9.893 2.193 1.00 1.00 C ATOM 335 CD1 LEU A 25 76.810 11.056 1.758 1.00 1.00 C ATOM 336 CD2 LEU A 25 75.369 10.197 3.595 1.00 1.00 C ATOM 0 H LEU A 25 76.086 7.811 0.350 1.00 1.00 H new ATOM 0 HA LEU A 25 74.011 8.011 2.240 1.00 1.00 H new ATOM 0 HB2 LEU A 25 75.110 9.983 0.182 1.00 1.00 H new ATOM 0 HB3 LEU A 25 73.962 10.433 1.427 1.00 1.00 H new ATOM 0 HG LEU A 25 76.488 8.964 2.221 1.00 1.00 H new ATOM 0 HD11 LEU A 25 77.629 11.172 2.468 1.00 1.00 H new ATOM 0 HD12 LEU A 25 77.215 10.853 0.767 1.00 1.00 H new ATOM 0 HD13 LEU A 25 76.222 11.974 1.729 1.00 1.00 H new ATOM 0 HD21 LEU A 25 76.197 10.306 4.295 1.00 1.00 H new ATOM 0 HD22 LEU A 25 74.793 11.122 3.567 1.00 1.00 H new ATOM 0 HD23 LEU A 25 74.725 9.379 3.919 1.00 1.00 H new ATOM 348 N VAL A 26 73.101 8.208 -0.917 1.00 1.00 N ATOM 349 CA VAL A 26 71.919 8.183 -1.748 1.00 1.00 C ATOM 350 C VAL A 26 71.065 6.973 -1.402 1.00 1.00 C ATOM 351 O VAL A 26 69.918 7.120 -1.006 1.00 1.00 O ATOM 352 CB VAL A 26 72.349 8.102 -3.212 1.00 1.00 C ATOM 353 CG1 VAL A 26 71.128 7.870 -4.105 1.00 1.00 C ATOM 354 CG2 VAL A 26 73.041 9.412 -3.611 1.00 1.00 C ATOM 0 H VAL A 26 73.991 8.205 -1.415 1.00 1.00 H new ATOM 0 HA VAL A 26 71.334 9.087 -1.579 1.00 1.00 H new ATOM 0 HB VAL A 26 73.041 7.270 -3.338 1.00 1.00 H new ATOM 0 HG11 VAL A 26 71.444 7.814 -5.147 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.643 6.936 -3.822 1.00 1.00 H new ATOM 0 HG13 VAL A 26 70.426 8.695 -3.983 1.00 1.00 H new ATOM 0 HG21 VAL A 26 73.349 9.357 -4.655 1.00 1.00 H new ATOM 0 HG22 VAL A 26 72.349 10.244 -3.480 1.00 1.00 H new ATOM 0 HG23 VAL A 26 73.917 9.567 -2.982 1.00 1.00 H new ATOM 364 N VAL A 27 71.622 5.779 -1.561 1.00 1.00 N ATOM 365 CA VAL A 27 70.869 4.559 -1.290 1.00 1.00 C ATOM 366 C VAL A 27 70.406 4.495 0.159 1.00 1.00 C ATOM 367 O VAL A 27 69.317 4.005 0.451 1.00 1.00 O ATOM 368 CB VAL A 27 71.714 3.318 -1.651 1.00 1.00 C ATOM 369 CG1 VAL A 27 72.640 2.931 -0.488 1.00 1.00 C ATOM 370 CG2 VAL A 27 70.785 2.141 -1.958 1.00 1.00 C ATOM 0 H VAL A 27 72.582 5.629 -1.873 1.00 1.00 H new ATOM 0 HA VAL A 27 69.976 4.570 -1.916 1.00 1.00 H new ATOM 0 HB VAL A 27 72.322 3.558 -2.523 1.00 1.00 H new ATOM 0 HG11 VAL A 27 73.225 2.054 -0.765 1.00 1.00 H new ATOM 0 HG12 VAL A 27 73.312 3.760 -0.266 1.00 1.00 H new ATOM 0 HG13 VAL A 27 72.041 2.703 0.394 1.00 1.00 H new ATOM 0 HG21 VAL A 27 71.380 1.264 -2.213 1.00 1.00 H new ATOM 0 HG22 VAL A 27 70.174 1.922 -1.083 1.00 1.00 H new ATOM 0 HG23 VAL A 27 70.138 2.397 -2.797 1.00 1.00 H new ATOM 380 N LYS A 28 71.237 4.990 1.058 1.00 1.00 N ATOM 381 CA LYS A 28 70.890 4.969 2.472 1.00 1.00 C ATOM 382 C LYS A 28 69.690 5.875 2.701 1.00 1.00 C ATOM 383 O LYS A 28 68.671 5.464 3.258 1.00 1.00 O ATOM 384 CB LYS A 28 72.094 5.470 3.263 1.00 1.00 C ATOM 385 CG LYS A 28 71.849 5.374 4.766 1.00 1.00 C ATOM 386 CD LYS A 28 73.131 5.805 5.524 1.00 1.00 C ATOM 387 CE LYS A 28 73.047 7.287 5.899 1.00 1.00 C ATOM 388 NZ LYS A 28 71.967 7.477 6.902 1.00 1.00 N ATOM 0 H LYS A 28 72.143 5.406 0.842 1.00 1.00 H new ATOM 0 HA LYS A 28 70.633 3.960 2.796 1.00 1.00 H new ATOM 0 HB2 LYS A 28 72.975 4.885 2.998 1.00 1.00 H new ATOM 0 HB3 LYS A 28 72.305 6.505 2.992 1.00 1.00 H new ATOM 0 HG2 LYS A 28 71.013 6.012 5.051 1.00 1.00 H new ATOM 0 HG3 LYS A 28 71.578 4.354 5.037 1.00 1.00 H new ATOM 0 HD2 LYS A 28 73.252 5.201 6.423 1.00 1.00 H new ATOM 0 HD3 LYS A 28 74.008 5.629 4.901 1.00 1.00 H new ATOM 0 HE2 LYS A 28 74.000 7.626 6.305 1.00 1.00 H new ATOM 0 HE3 LYS A 28 72.846 7.888 5.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 72.203 8.281 7.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 71.069 7.668 6.413 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 71.872 6.616 7.477 1.00 1.00 H new ATOM 402 N VAL A 29 69.848 7.124 2.298 1.00 1.00 N ATOM 403 CA VAL A 29 68.780 8.098 2.497 1.00 1.00 C ATOM 404 C VAL A 29 67.533 7.653 1.749 1.00 1.00 C ATOM 405 O VAL A 29 66.431 7.665 2.298 1.00 1.00 O ATOM 406 CB VAL A 29 69.186 9.509 2.046 1.00 1.00 C ATOM 407 CG1 VAL A 29 67.979 10.443 2.191 1.00 1.00 C ATOM 408 CG2 VAL A 29 70.316 10.026 2.938 1.00 1.00 C ATOM 0 H VAL A 29 70.685 7.486 1.840 1.00 1.00 H new ATOM 0 HA VAL A 29 68.575 8.146 3.567 1.00 1.00 H new ATOM 0 HB VAL A 29 69.520 9.478 1.009 1.00 1.00 H new ATOM 0 HG11 VAL A 29 68.256 11.448 1.873 1.00 1.00 H new ATOM 0 HG12 VAL A 29 67.161 10.079 1.570 1.00 1.00 H new ATOM 0 HG13 VAL A 29 67.661 10.467 3.233 1.00 1.00 H new ATOM 0 HG21 VAL A 29 70.604 11.027 2.617 1.00 1.00 H new ATOM 0 HG22 VAL A 29 69.976 10.060 3.973 1.00 1.00 H new ATOM 0 HG23 VAL A 29 71.175 9.359 2.860 1.00 1.00 H new ATOM 418 N CYS A 30 67.699 7.269 0.491 1.00 1.00 N ATOM 419 CA CYS A 30 66.537 6.845 -0.270 1.00 1.00 C ATOM 420 C CYS A 30 65.966 5.558 0.317 1.00 1.00 C ATOM 421 O CYS A 30 64.792 5.507 0.681 1.00 1.00 O ATOM 422 CB CYS A 30 66.913 6.663 -1.770 1.00 1.00 C ATOM 423 SG CYS A 30 66.775 4.928 -2.305 1.00 1.00 S ATOM 0 H CYS A 30 68.589 7.242 -0.007 1.00 1.00 H new ATOM 0 HA CYS A 30 65.768 7.615 -0.207 1.00 1.00 H new ATOM 0 HB2 CYS A 30 66.262 7.284 -2.385 1.00 1.00 H new ATOM 0 HB3 CYS A 30 67.933 7.012 -1.933 1.00 1.00 H new ATOM 428 N ALA A 31 66.763 4.495 0.340 1.00 1.00 N ATOM 429 CA ALA A 31 66.278 3.208 0.800 1.00 1.00 C ATOM 430 C ALA A 31 65.812 3.284 2.231 1.00 1.00 C ATOM 431 O ALA A 31 64.715 2.834 2.558 1.00 1.00 O ATOM 432 CB ALA A 31 67.389 2.158 0.660 1.00 1.00 C ATOM 0 H ALA A 31 67.740 4.503 0.047 1.00 1.00 H new ATOM 0 HA ALA A 31 65.426 2.919 0.184 1.00 1.00 H new ATOM 0 HB1 ALA A 31 67.022 1.192 1.006 1.00 1.00 H new ATOM 0 HB2 ALA A 31 67.686 2.080 -0.386 1.00 1.00 H new ATOM 0 HB3 ALA A 31 68.249 2.456 1.260 1.00 1.00 H new ATOM 438 N GLY A 32 66.658 3.822 3.096 1.00 1.00 N ATOM 439 CA GLY A 32 66.307 3.909 4.498 1.00 1.00 C ATOM 440 C GLY A 32 66.500 2.561 5.151 1.00 1.00 C ATOM 441 O GLY A 32 65.532 1.890 5.510 1.00 1.00 O ATOM 0 H GLY A 32 67.575 4.198 2.855 1.00 1.00 H new ATOM 0 HA2 GLY A 32 66.927 4.657 4.993 1.00 1.00 H new ATOM 0 HA3 GLY A 32 65.271 4.232 4.605 1.00 1.00 H new ATOM 445 N LEU A 33 67.771 2.168 5.279 1.00 1.00 N ATOM 446 CA LEU A 33 68.137 0.883 5.882 1.00 1.00 C ATOM 447 C LEU A 33 68.215 -0.209 4.807 1.00 1.00 C ATOM 448 O LEU A 33 67.312 -1.034 4.676 1.00 1.00 O ATOM 449 CB LEU A 33 67.114 0.498 6.981 1.00 1.00 C ATOM 450 CG LEU A 33 67.771 -0.330 8.084 1.00 1.00 C ATOM 451 CD1 LEU A 33 66.697 -0.747 9.092 1.00 1.00 C ATOM 452 CD2 LEU A 33 68.416 -1.577 7.486 1.00 1.00 C ATOM 0 H LEU A 33 68.568 2.725 4.971 1.00 1.00 H new ATOM 0 HA LEU A 33 69.120 0.979 6.343 1.00 1.00 H new ATOM 0 HB2 LEU A 33 66.681 1.401 7.410 1.00 1.00 H new ATOM 0 HB3 LEU A 33 66.295 -0.068 6.537 1.00 1.00 H new ATOM 0 HG LEU A 33 68.540 0.264 8.578 1.00 1.00 H new ATOM 0 HD11 LEU A 33 67.153 -1.339 9.885 1.00 1.00 H new ATOM 0 HD12 LEU A 33 66.237 0.143 9.522 1.00 1.00 H new ATOM 0 HD13 LEU A 33 65.936 -1.342 8.587 1.00 1.00 H new ATOM 0 HD21 LEU A 33 68.882 -2.162 8.279 1.00 1.00 H new ATOM 0 HD22 LEU A 33 67.654 -2.179 6.991 1.00 1.00 H new ATOM 0 HD23 LEU A 33 69.173 -1.282 6.760 1.00 1.00 H new ATOM 464 N PRO A 34 69.281 -0.232 4.039 1.00 1.00 N ATOM 465 CA PRO A 34 69.482 -1.247 2.964 1.00 1.00 C ATOM 466 C PRO A 34 69.270 -2.678 3.463 1.00 1.00 C ATOM 467 O PRO A 34 69.009 -3.583 2.668 1.00 1.00 O ATOM 468 CB PRO A 34 70.941 -1.040 2.531 1.00 1.00 C ATOM 469 CG PRO A 34 71.249 0.383 2.868 1.00 1.00 C ATOM 470 CD PRO A 34 70.408 0.721 4.103 1.00 1.00 C ATOM 0 HA PRO A 34 68.765 -1.120 2.153 1.00 1.00 H new ATOM 0 HB2 PRO A 34 71.609 -1.723 3.056 1.00 1.00 H new ATOM 0 HB3 PRO A 34 71.066 -1.229 1.465 1.00 1.00 H new ATOM 0 HG2 PRO A 34 72.312 0.513 3.073 1.00 1.00 H new ATOM 0 HG3 PRO A 34 71.002 1.042 2.036 1.00 1.00 H new ATOM 0 HD2 PRO A 34 70.982 0.600 5.022 1.00 1.00 H new ATOM 0 HD3 PRO A 34 70.060 1.754 4.078 1.00 1.00 H new ATOM 478 N GLY A 35 69.416 -2.889 4.771 1.00 1.00 N ATOM 479 CA GLY A 35 69.255 -4.239 5.293 1.00 1.00 C ATOM 480 C GLY A 35 67.854 -4.765 4.936 1.00 1.00 C ATOM 481 O GLY A 35 67.725 -5.733 4.186 1.00 1.00 O ATOM 0 H GLY A 35 69.637 -2.172 5.462 1.00 1.00 H new ATOM 0 HA2 GLY A 35 70.019 -4.895 4.875 1.00 1.00 H new ATOM 0 HA3 GLY A 35 69.391 -4.240 6.375 1.00 1.00 H new ATOM 485 N VAL A 36 66.810 -4.083 5.423 1.00 1.00 N ATOM 486 CA VAL A 36 65.425 -4.455 5.091 1.00 1.00 C ATOM 487 C VAL A 36 65.004 -3.600 3.920 1.00 1.00 C ATOM 488 O VAL A 36 65.746 -2.690 3.575 1.00 1.00 O ATOM 489 CB VAL A 36 64.473 -4.245 6.286 1.00 1.00 C ATOM 490 CG1 VAL A 36 64.422 -2.755 6.669 1.00 1.00 C ATOM 491 CG2 VAL A 36 63.056 -4.736 5.921 1.00 1.00 C ATOM 0 H VAL A 36 66.894 -3.277 6.043 1.00 1.00 H new ATOM 0 HA VAL A 36 65.375 -5.515 4.842 1.00 1.00 H new ATOM 0 HB VAL A 36 64.845 -4.817 7.136 1.00 1.00 H new ATOM 0 HG11 VAL A 36 63.747 -2.619 7.514 1.00 1.00 H new ATOM 0 HG12 VAL A 36 65.421 -2.416 6.945 1.00 1.00 H new ATOM 0 HG13 VAL A 36 64.063 -2.173 5.820 1.00 1.00 H new ATOM 0 HG21 VAL A 36 62.389 -4.585 6.770 1.00 1.00 H new ATOM 0 HG22 VAL A 36 62.686 -4.174 5.064 1.00 1.00 H new ATOM 0 HG23 VAL A 36 63.091 -5.797 5.672 1.00 1.00 H new ATOM 501 N ILE A 37 63.825 -3.890 3.335 1.00 1.00 N ATOM 502 CA ILE A 37 63.276 -3.148 2.173 1.00 1.00 C ATOM 503 C ILE A 37 63.249 -4.048 0.946 1.00 1.00 C ATOM 504 O ILE A 37 64.297 -4.432 0.426 1.00 1.00 O ATOM 505 CB ILE A 37 64.075 -1.868 1.834 1.00 1.00 C ATOM 506 CG1 ILE A 37 63.898 -0.823 2.964 1.00 1.00 C ATOM 507 CG2 ILE A 37 63.588 -1.298 0.493 1.00 1.00 C ATOM 508 CD1 ILE A 37 62.638 0.025 2.740 1.00 1.00 C ATOM 0 H ILE A 37 63.221 -4.648 3.653 1.00 1.00 H new ATOM 0 HA ILE A 37 62.268 -2.842 2.454 1.00 1.00 H new ATOM 0 HB ILE A 37 65.134 -2.111 1.749 1.00 1.00 H new ATOM 0 HG12 ILE A 37 63.832 -1.331 3.926 1.00 1.00 H new ATOM 0 HG13 ILE A 37 64.774 -0.175 3.005 1.00 1.00 H new ATOM 0 HG21 ILE A 37 64.152 -0.396 0.255 1.00 1.00 H new ATOM 0 HG22 ILE A 37 63.739 -2.038 -0.293 1.00 1.00 H new ATOM 0 HG23 ILE A 37 62.528 -1.055 0.564 1.00 1.00 H new ATOM 0 HD11 ILE A 37 62.539 0.750 3.548 1.00 1.00 H new ATOM 0 HD12 ILE A 37 62.718 0.551 1.789 1.00 1.00 H new ATOM 0 HD13 ILE A 37 61.762 -0.623 2.724 1.00 1.00 H new ATOM 520 N HIS A 38 62.044 -4.371 0.479 1.00 1.00 N ATOM 521 CA HIS A 38 61.874 -5.212 -0.700 1.00 1.00 C ATOM 522 C HIS A 38 60.725 -4.656 -1.534 1.00 1.00 C ATOM 523 O HIS A 38 59.666 -4.334 -0.997 1.00 1.00 O ATOM 524 CB HIS A 38 61.558 -6.650 -0.269 1.00 1.00 C ATOM 525 CG HIS A 38 62.381 -6.993 0.940 1.00 1.00 C ATOM 526 ND1 HIS A 38 63.694 -7.424 0.847 1.00 1.00 N ATOM 527 CD2 HIS A 38 62.093 -6.955 2.283 1.00 1.00 C ATOM 528 CE1 HIS A 38 64.146 -7.625 2.099 1.00 1.00 C ATOM 529 NE2 HIS A 38 63.210 -7.353 3.011 1.00 1.00 N ATOM 0 H HIS A 38 61.169 -4.061 0.902 1.00 1.00 H new ATOM 0 HA HIS A 38 62.791 -5.216 -1.290 1.00 1.00 H new ATOM 0 HB2 HIS A 38 60.497 -6.750 -0.042 1.00 1.00 H new ATOM 0 HB3 HIS A 38 61.777 -7.343 -1.082 1.00 1.00 H new ATOM 0 HD2 HIS A 38 61.145 -6.661 2.708 1.00 1.00 H new ATOM 0 HE1 HIS A 38 65.143 -7.965 2.336 1.00 1.00 H new ATOM 0 HE2 HIS A 38 63.295 -7.422 4.025 1.00 1.00 H new ATOM 537 N THR A 39 60.932 -4.540 -2.843 1.00 1.00 N ATOM 538 CA THR A 39 59.891 -4.016 -3.737 1.00 1.00 C ATOM 539 C THR A 39 59.311 -5.154 -4.591 1.00 1.00 C ATOM 540 O THR A 39 60.004 -5.674 -5.465 1.00 1.00 O ATOM 541 CB THR A 39 60.491 -2.952 -4.663 1.00 1.00 C ATOM 542 OG1 THR A 39 61.273 -2.045 -3.898 1.00 1.00 O ATOM 543 CG2 THR A 39 59.364 -2.193 -5.360 1.00 1.00 C ATOM 0 H THR A 39 61.801 -4.798 -3.310 1.00 1.00 H new ATOM 0 HA THR A 39 59.099 -3.574 -3.133 1.00 1.00 H new ATOM 0 HB THR A 39 61.122 -3.433 -5.411 1.00 1.00 H new ATOM 0 HG1 THR A 39 61.658 -1.365 -4.490 1.00 1.00 H new ATOM 0 HG21 THR A 39 59.789 -1.436 -6.019 1.00 1.00 H new ATOM 0 HG22 THR A 39 58.765 -2.889 -5.946 1.00 1.00 H new ATOM 0 HG23 THR A 39 58.733 -1.711 -4.613 1.00 1.00 H new ATOM 551 N PRO A 40 58.079 -5.573 -4.368 1.00 1.00 N ATOM 552 CA PRO A 40 57.480 -6.688 -5.159 1.00 1.00 C ATOM 553 C PRO A 40 57.803 -6.577 -6.660 1.00 1.00 C ATOM 554 O PRO A 40 58.815 -7.100 -7.127 1.00 1.00 O ATOM 555 CB PRO A 40 55.969 -6.566 -4.859 1.00 1.00 C ATOM 556 CG PRO A 40 55.891 -5.946 -3.499 1.00 1.00 C ATOM 557 CD PRO A 40 57.128 -5.046 -3.364 1.00 1.00 C ATOM 0 HA PRO A 40 57.879 -7.665 -4.886 1.00 1.00 H new ATOM 0 HB2 PRO A 40 55.468 -5.948 -5.604 1.00 1.00 H new ATOM 0 HB3 PRO A 40 55.484 -7.542 -4.876 1.00 1.00 H new ATOM 0 HG2 PRO A 40 54.975 -5.366 -3.388 1.00 1.00 H new ATOM 0 HG3 PRO A 40 55.880 -6.711 -2.723 1.00 1.00 H new ATOM 0 HD2 PRO A 40 56.883 -4.002 -3.559 1.00 1.00 H new ATOM 0 HD3 PRO A 40 57.546 -5.093 -2.358 1.00 1.00 H new ATOM 565 N ALA A 41 56.933 -5.906 -7.398 1.00 1.00 N ATOM 566 CA ALA A 41 57.095 -5.727 -8.835 1.00 1.00 C ATOM 567 C ALA A 41 58.323 -4.876 -9.103 1.00 1.00 C ATOM 568 O ALA A 41 58.433 -3.761 -8.597 1.00 1.00 O ATOM 569 CB ALA A 41 55.851 -5.050 -9.423 1.00 1.00 C ATOM 0 H ALA A 41 56.093 -5.469 -7.019 1.00 1.00 H new ATOM 0 HA ALA A 41 57.221 -6.701 -9.307 1.00 1.00 H new ATOM 0 HB1 ALA A 41 55.981 -4.920 -10.497 1.00 1.00 H new ATOM 0 HB2 ALA A 41 54.976 -5.672 -9.236 1.00 1.00 H new ATOM 0 HB3 ALA A 41 55.711 -4.076 -8.954 1.00 1.00 H new ATOM 575 N ARG A 42 59.231 -5.398 -9.916 1.00 1.00 N ATOM 576 CA ARG A 42 60.443 -4.666 -10.255 1.00 1.00 C ATOM 577 C ARG A 42 61.246 -5.417 -11.309 1.00 1.00 C ATOM 578 O ARG A 42 60.891 -6.528 -11.703 1.00 1.00 O ATOM 579 CB ARG A 42 61.309 -4.470 -9.005 1.00 1.00 C ATOM 580 CG ARG A 42 61.817 -5.825 -8.502 1.00 1.00 C ATOM 581 CD ARG A 42 62.716 -5.611 -7.292 1.00 1.00 C ATOM 582 NE ARG A 42 63.376 -6.862 -6.951 1.00 1.00 N ATOM 583 CZ ARG A 42 63.978 -7.025 -5.783 1.00 1.00 C ATOM 584 NH1 ARG A 42 63.955 -6.067 -4.898 1.00 1.00 N ATOM 585 NH2 ARG A 42 64.588 -8.147 -5.522 1.00 1.00 N ATOM 0 H ARG A 42 59.153 -6.318 -10.350 1.00 1.00 H new ATOM 0 HA ARG A 42 60.152 -3.694 -10.654 1.00 1.00 H new ATOM 0 HB2 ARG A 42 62.152 -3.819 -9.235 1.00 1.00 H new ATOM 0 HB3 ARG A 42 60.729 -3.977 -8.225 1.00 1.00 H new ATOM 0 HG2 ARG A 42 60.976 -6.465 -8.235 1.00 1.00 H new ATOM 0 HG3 ARG A 42 62.368 -6.335 -9.292 1.00 1.00 H new ATOM 0 HD2 ARG A 42 63.459 -4.843 -7.509 1.00 1.00 H new ATOM 0 HD3 ARG A 42 62.127 -5.256 -6.446 1.00 1.00 H new ATOM 0 HE ARG A 42 63.375 -7.628 -7.625 1.00 1.00 H new ATOM 0 HH11 ARG A 42 63.473 -5.192 -5.106 1.00 1.00 H new ATOM 0 HH12 ARG A 42 64.419 -6.193 -3.998 1.00 1.00 H new ATOM 0 HH21 ARG A 42 64.600 -8.894 -6.216 1.00 1.00 H new ATOM 0 HH22 ARG A 42 65.053 -8.278 -4.624 1.00 1.00 H new ATOM 599 N ARG A 43 62.342 -4.811 -11.738 1.00 1.00 N ATOM 600 CA ARG A 43 63.186 -5.469 -12.725 1.00 1.00 C ATOM 601 C ARG A 43 63.641 -6.815 -12.138 1.00 1.00 C ATOM 602 O ARG A 43 63.594 -7.841 -12.816 1.00 1.00 O ATOM 603 CB ARG A 43 64.395 -4.579 -13.045 1.00 1.00 C ATOM 604 CG ARG A 43 65.258 -5.217 -14.162 1.00 1.00 C ATOM 605 CD ARG A 43 64.852 -4.668 -15.536 1.00 1.00 C ATOM 606 NE ARG A 43 65.464 -3.358 -15.743 1.00 1.00 N ATOM 607 CZ ARG A 43 65.778 -2.916 -16.961 1.00 1.00 C ATOM 608 NH1 ARG A 43 65.530 -3.647 -18.016 1.00 1.00 N ATOM 609 NH2 ARG A 43 66.340 -1.745 -17.099 1.00 1.00 N ATOM 0 H ARG A 43 62.662 -3.893 -11.430 1.00 1.00 H new ATOM 0 HA ARG A 43 62.638 -5.639 -13.652 1.00 1.00 H new ATOM 0 HB2 ARG A 43 64.055 -3.592 -13.359 1.00 1.00 H new ATOM 0 HB3 ARG A 43 64.998 -4.438 -12.148 1.00 1.00 H new ATOM 0 HG2 ARG A 43 66.312 -5.010 -13.978 1.00 1.00 H new ATOM 0 HG3 ARG A 43 65.139 -6.300 -14.147 1.00 1.00 H new ATOM 0 HD2 ARG A 43 65.167 -5.356 -16.321 1.00 1.00 H new ATOM 0 HD3 ARG A 43 63.767 -4.587 -15.600 1.00 1.00 H new ATOM 0 HE ARG A 43 65.656 -2.766 -14.935 1.00 1.00 H new ATOM 0 HH11 ARG A 43 65.093 -4.563 -17.911 1.00 1.00 H new ATOM 0 HH12 ARG A 43 65.773 -3.302 -18.944 1.00 1.00 H new ATOM 0 HH21 ARG A 43 66.537 -1.174 -16.277 1.00 1.00 H new ATOM 0 HH22 ARG A 43 66.582 -1.402 -18.029 1.00 1.00 H new ATOM 623 N GLY A 44 64.078 -6.810 -10.872 1.00 1.00 N ATOM 624 CA GLY A 44 64.545 -8.031 -10.197 1.00 1.00 C ATOM 625 C GLY A 44 65.980 -7.872 -9.703 1.00 1.00 C ATOM 626 O GLY A 44 66.370 -8.501 -8.718 1.00 1.00 O ATOM 0 H GLY A 44 64.118 -5.972 -10.292 1.00 1.00 H new ATOM 0 HA2 GLY A 44 63.891 -8.258 -9.355 1.00 1.00 H new ATOM 0 HA3 GLY A 44 64.485 -8.875 -10.884 1.00 1.00 H new ATOM 630 N PHE A 45 66.746 -6.987 -10.340 1.00 1.00 N ATOM 631 CA PHE A 45 68.118 -6.702 -9.908 1.00 1.00 C ATOM 632 C PHE A 45 68.429 -5.249 -10.273 1.00 1.00 C ATOM 633 O PHE A 45 67.832 -4.710 -11.203 1.00 1.00 O ATOM 634 CB PHE A 45 69.139 -7.667 -10.536 1.00 1.00 C ATOM 635 CG PHE A 45 70.509 -7.460 -9.910 1.00 1.00 C ATOM 636 CD1 PHE A 45 70.796 -8.015 -8.655 1.00 1.00 C ATOM 637 CD2 PHE A 45 71.494 -6.727 -10.589 1.00 1.00 C ATOM 638 CE1 PHE A 45 72.063 -7.835 -8.080 1.00 1.00 C ATOM 639 CE2 PHE A 45 72.760 -6.551 -10.012 1.00 1.00 C ATOM 640 CZ PHE A 45 73.044 -7.105 -8.760 1.00 1.00 C ATOM 0 H PHE A 45 66.443 -6.455 -11.156 1.00 1.00 H new ATOM 0 HA PHE A 45 68.197 -6.849 -8.831 1.00 1.00 H new ATOM 0 HB2 PHE A 45 68.815 -8.697 -10.388 1.00 1.00 H new ATOM 0 HB3 PHE A 45 69.194 -7.501 -11.612 1.00 1.00 H new ATOM 0 HD1 PHE A 45 70.041 -8.582 -8.130 1.00 1.00 H new ATOM 0 HD2 PHE A 45 71.277 -6.298 -11.556 1.00 1.00 H new ATOM 0 HE1 PHE A 45 72.281 -8.260 -7.112 1.00 1.00 H new ATOM 0 HE2 PHE A 45 73.517 -5.986 -10.536 1.00 1.00 H new ATOM 0 HZ PHE A 45 74.020 -6.969 -8.318 1.00 1.00 H new ATOM 650 N PHE A 46 69.356 -4.658 -9.511 1.00 1.00 N ATOM 651 CA PHE A 46 69.821 -3.257 -9.633 1.00 1.00 C ATOM 652 C PHE A 46 69.734 -2.601 -8.257 1.00 1.00 C ATOM 653 O PHE A 46 68.662 -2.135 -7.906 1.00 1.00 O ATOM 654 CB PHE A 46 68.984 -2.360 -10.602 1.00 1.00 C ATOM 655 CG PHE A 46 69.625 -2.278 -11.982 1.00 1.00 C ATOM 656 CD1 PHE A 46 70.083 -3.434 -12.632 1.00 1.00 C ATOM 657 CD2 PHE A 46 69.767 -1.027 -12.613 1.00 1.00 C ATOM 658 CE1 PHE A 46 70.676 -3.338 -13.903 1.00 1.00 C ATOM 659 CE2 PHE A 46 70.357 -0.936 -13.881 1.00 1.00 C ATOM 660 CZ PHE A 46 70.812 -2.090 -14.525 1.00 1.00 C ATOM 0 H PHE A 46 69.828 -5.158 -8.758 1.00 1.00 H new ATOM 0 HA PHE A 46 70.831 -3.321 -10.038 1.00 1.00 H new ATOM 0 HB2 PHE A 46 67.975 -2.763 -10.692 1.00 1.00 H new ATOM 0 HB3 PHE A 46 68.891 -1.358 -10.183 1.00 1.00 H new ATOM 0 HD1 PHE A 46 69.980 -4.398 -12.156 1.00 1.00 H new ATOM 0 HD2 PHE A 46 69.419 -0.133 -12.117 1.00 1.00 H new ATOM 0 HE1 PHE A 46 71.028 -4.229 -14.402 1.00 1.00 H new ATOM 0 HE2 PHE A 46 70.460 0.026 -14.361 1.00 1.00 H new ATOM 0 HZ PHE A 46 71.268 -2.020 -15.501 1.00 1.00 H new ATOM 670 N ARG A 47 70.858 -2.579 -7.513 1.00 1.00 N ATOM 671 CA ARG A 47 70.968 -1.969 -6.152 1.00 1.00 C ATOM 672 C ARG A 47 71.333 -3.031 -5.131 1.00 1.00 C ATOM 673 O ARG A 47 70.805 -4.129 -5.164 1.00 1.00 O ATOM 674 CB ARG A 47 69.678 -1.221 -5.625 1.00 1.00 C ATOM 675 CG ARG A 47 70.005 0.235 -5.291 1.00 1.00 C ATOM 676 CD ARG A 47 70.458 0.993 -6.560 1.00 1.00 C ATOM 677 NE ARG A 47 71.855 1.364 -6.424 1.00 1.00 N ATOM 678 CZ ARG A 47 72.564 1.788 -7.461 1.00 1.00 C ATOM 679 NH1 ARG A 47 72.016 1.843 -8.644 1.00 1.00 N ATOM 680 NH2 ARG A 47 73.809 2.140 -7.295 1.00 1.00 N ATOM 0 H ARG A 47 71.734 -2.988 -7.837 1.00 1.00 H new ATOM 0 HA ARG A 47 71.743 -1.211 -6.267 1.00 1.00 H new ATOM 0 HB2 ARG A 47 68.893 -1.260 -6.380 1.00 1.00 H new ATOM 0 HB3 ARG A 47 69.293 -1.726 -4.739 1.00 1.00 H new ATOM 0 HG2 ARG A 47 69.129 0.722 -4.863 1.00 1.00 H new ATOM 0 HG3 ARG A 47 70.791 0.274 -4.537 1.00 1.00 H new ATOM 0 HD2 ARG A 47 70.320 0.366 -7.441 1.00 1.00 H new ATOM 0 HD3 ARG A 47 69.846 1.883 -6.704 1.00 1.00 H new ATOM 0 HE ARG A 47 72.301 1.297 -5.509 1.00 1.00 H new ATOM 0 HH11 ARG A 47 71.044 1.560 -8.769 1.00 1.00 H new ATOM 0 HH12 ARG A 47 72.560 2.169 -9.443 1.00 1.00 H new ATOM 0 HH21 ARG A 47 74.234 2.089 -6.369 1.00 1.00 H new ATOM 0 HH22 ARG A 47 74.357 2.467 -8.091 1.00 1.00 H new ATOM 694 N CYS A 48 72.240 -2.685 -4.230 1.00 1.00 N ATOM 695 CA CYS A 48 72.663 -3.613 -3.187 1.00 1.00 C ATOM 696 C CYS A 48 73.507 -4.734 -3.783 1.00 1.00 C ATOM 697 O CYS A 48 73.031 -5.844 -3.992 1.00 1.00 O ATOM 698 CB CYS A 48 71.436 -4.201 -2.477 1.00 1.00 C ATOM 699 SG CYS A 48 71.903 -4.821 -0.839 1.00 1.00 S ATOM 0 H CYS A 48 72.697 -1.773 -4.198 1.00 1.00 H new ATOM 0 HA CYS A 48 73.268 -3.069 -2.461 1.00 1.00 H new ATOM 0 HB2 CYS A 48 70.663 -3.439 -2.379 1.00 1.00 H new ATOM 0 HB3 CYS A 48 71.013 -5.009 -3.074 1.00 1.00 H new ATOM 704 N ASN A 49 74.767 -4.424 -4.047 1.00 1.00 N ATOM 705 CA ASN A 49 75.684 -5.418 -4.618 1.00 1.00 C ATOM 706 C ASN A 49 77.095 -5.233 -4.069 1.00 1.00 C ATOM 707 O ASN A 49 77.503 -4.107 -3.812 1.00 1.00 O ATOM 708 CB ASN A 49 75.697 -5.310 -6.147 1.00 1.00 C ATOM 709 CG ASN A 49 75.910 -3.862 -6.588 1.00 1.00 C ATOM 710 OD1 ASN A 49 77.012 -3.326 -6.454 1.00 1.00 O ATOM 711 ND2 ASN A 49 74.919 -3.199 -7.121 1.00 1.00 N ATOM 0 H ASN A 49 75.181 -3.507 -3.880 1.00 1.00 H new ATOM 0 HA ASN A 49 75.331 -6.410 -4.334 1.00 1.00 H new ATOM 0 HB2 ASN A 49 76.489 -5.939 -6.554 1.00 1.00 H new ATOM 0 HB3 ASN A 49 74.755 -5.683 -6.550 1.00 1.00 H new ATOM 0 HD21 ASN A 49 75.056 -2.236 -7.427 1.00 1.00 H new ATOM 0 HD22 ASN A 49 74.008 -3.644 -7.231 1.00 1.00 H new ATOM 718 N PRO A 50 77.842 -6.306 -3.876 1.00 1.00 N ATOM 719 CA PRO A 50 79.235 -6.215 -3.344 1.00 1.00 C ATOM 720 C PRO A 50 80.180 -5.406 -4.251 1.00 1.00 C ATOM 721 O PRO A 50 81.245 -5.877 -4.647 1.00 1.00 O ATOM 722 CB PRO A 50 79.681 -7.684 -3.189 1.00 1.00 C ATOM 723 CG PRO A 50 78.757 -8.481 -4.060 1.00 1.00 C ATOM 724 CD PRO A 50 77.442 -7.705 -4.116 1.00 1.00 C ATOM 0 HA PRO A 50 79.268 -5.670 -2.400 1.00 1.00 H new ATOM 0 HB2 PRO A 50 80.719 -7.813 -3.497 1.00 1.00 H new ATOM 0 HB3 PRO A 50 79.615 -8.006 -2.150 1.00 1.00 H new ATOM 0 HG2 PRO A 50 79.176 -8.607 -5.058 1.00 1.00 H new ATOM 0 HG3 PRO A 50 78.602 -9.479 -3.651 1.00 1.00 H new ATOM 0 HD2 PRO A 50 76.952 -7.820 -5.083 1.00 1.00 H new ATOM 0 HD3 PRO A 50 76.740 -8.055 -3.359 1.00 1.00 H new ATOM 732 N GLU A 51 79.784 -4.170 -4.539 1.00 1.00 N ATOM 733 CA GLU A 51 80.595 -3.273 -5.349 1.00 1.00 C ATOM 734 C GLU A 51 80.725 -3.779 -6.786 1.00 1.00 C ATOM 735 O GLU A 51 81.806 -4.170 -7.225 1.00 1.00 O ATOM 736 CB GLU A 51 81.983 -3.118 -4.705 1.00 1.00 C ATOM 737 CG GLU A 51 81.840 -2.998 -3.158 1.00 1.00 C ATOM 738 CD GLU A 51 82.039 -4.350 -2.477 1.00 1.00 C ATOM 739 OE1 GLU A 51 83.004 -5.020 -2.804 1.00 1.00 O ATOM 740 OE2 GLU A 51 81.225 -4.690 -1.635 1.00 1.00 O ATOM 0 H GLU A 51 78.902 -3.767 -4.221 1.00 1.00 H new ATOM 0 HA GLU A 51 80.101 -2.302 -5.390 1.00 1.00 H new ATOM 0 HB2 GLU A 51 82.608 -3.975 -4.956 1.00 1.00 H new ATOM 0 HB3 GLU A 51 82.481 -2.234 -5.103 1.00 1.00 H new ATOM 0 HG2 GLU A 51 82.571 -2.285 -2.777 1.00 1.00 H new ATOM 0 HG3 GLU A 51 80.854 -2.605 -2.911 1.00 1.00 H new ATOM 747 N ARG A 52 79.606 -3.750 -7.513 1.00 1.00 N ATOM 748 CA ARG A 52 79.578 -4.186 -8.913 1.00 1.00 C ATOM 749 C ARG A 52 78.587 -3.352 -9.710 1.00 1.00 C ATOM 750 O ARG A 52 77.620 -2.825 -9.163 1.00 1.00 O ATOM 751 CB ARG A 52 79.177 -5.665 -9.011 1.00 1.00 C ATOM 752 CG ARG A 52 80.368 -6.582 -8.666 1.00 1.00 C ATOM 753 CD ARG A 52 80.175 -7.966 -9.321 1.00 1.00 C ATOM 754 NE ARG A 52 78.756 -8.275 -9.495 1.00 1.00 N ATOM 755 CZ ARG A 52 77.931 -8.352 -8.460 1.00 1.00 C ATOM 756 NH1 ARG A 52 78.389 -8.174 -7.259 1.00 1.00 N ATOM 757 NH2 ARG A 52 76.664 -8.612 -8.644 1.00 1.00 N ATOM 0 H ARG A 52 78.706 -3.429 -7.156 1.00 1.00 H new ATOM 0 HA ARG A 52 80.579 -4.054 -9.324 1.00 1.00 H new ATOM 0 HB2 ARG A 52 78.349 -5.867 -8.332 1.00 1.00 H new ATOM 0 HB3 ARG A 52 78.824 -5.884 -10.019 1.00 1.00 H new ATOM 0 HG2 ARG A 52 81.297 -6.132 -9.015 1.00 1.00 H new ATOM 0 HG3 ARG A 52 80.453 -6.691 -7.585 1.00 1.00 H new ATOM 0 HD2 ARG A 52 80.676 -7.986 -10.289 1.00 1.00 H new ATOM 0 HD3 ARG A 52 80.644 -8.732 -8.703 1.00 1.00 H new ATOM 0 HE ARG A 52 78.393 -8.435 -10.435 1.00 1.00 H new ATOM 0 HH11 ARG A 52 79.379 -7.976 -7.115 1.00 1.00 H new ATOM 0 HH12 ARG A 52 77.759 -8.232 -6.459 1.00 1.00 H new ATOM 0 HH21 ARG A 52 76.305 -8.757 -9.588 1.00 1.00 H new ATOM 0 HH22 ARG A 52 76.034 -8.670 -7.844 1.00 1.00 H new ATOM 771 N ILE A 53 78.834 -3.246 -11.009 1.00 1.00 N ATOM 772 CA ILE A 53 77.964 -2.482 -11.886 1.00 1.00 C ATOM 773 C ILE A 53 76.581 -3.123 -11.982 1.00 1.00 C ATOM 774 O ILE A 53 76.452 -4.324 -12.212 1.00 1.00 O ATOM 775 CB ILE A 53 78.591 -2.408 -13.284 1.00 1.00 C ATOM 776 CG1 ILE A 53 79.080 -3.800 -13.706 1.00 1.00 C ATOM 777 CG2 ILE A 53 79.781 -1.449 -13.256 1.00 1.00 C ATOM 778 CD1 ILE A 53 79.438 -3.790 -15.192 1.00 1.00 C ATOM 0 H ILE A 53 79.630 -3.680 -11.476 1.00 1.00 H new ATOM 0 HA ILE A 53 77.850 -1.480 -11.472 1.00 1.00 H new ATOM 0 HB ILE A 53 77.844 -2.052 -13.994 1.00 1.00 H new ATOM 0 HG12 ILE A 53 79.950 -4.086 -13.114 1.00 1.00 H new ATOM 0 HG13 ILE A 53 78.305 -4.542 -13.513 1.00 1.00 H new ATOM 0 HG21 ILE A 53 80.228 -1.395 -14.249 1.00 1.00 H new ATOM 0 HG22 ILE A 53 79.442 -0.457 -12.956 1.00 1.00 H new ATOM 0 HG23 ILE A 53 80.522 -1.810 -12.543 1.00 1.00 H new ATOM 0 HD11 ILE A 53 79.785 -4.780 -15.489 1.00 1.00 H new ATOM 0 HD12 ILE A 53 78.557 -3.523 -15.777 1.00 1.00 H new ATOM 0 HD13 ILE A 53 80.227 -3.060 -15.371 1.00 1.00 H new ATOM 790 N GLN A 54 75.548 -2.323 -11.743 1.00 1.00 N ATOM 791 CA GLN A 54 74.194 -2.849 -11.753 1.00 1.00 C ATOM 792 C GLN A 54 73.901 -3.489 -13.105 1.00 1.00 C ATOM 793 O GLN A 54 73.322 -2.870 -13.995 1.00 1.00 O ATOM 794 CB GLN A 54 73.209 -1.693 -11.516 1.00 1.00 C ATOM 795 CG GLN A 54 73.628 -0.453 -12.363 1.00 1.00 C ATOM 796 CD GLN A 54 74.268 0.625 -11.483 1.00 1.00 C ATOM 797 OE1 GLN A 54 75.195 0.300 -10.622 1.00 1.00 O flip ATOM 798 NE2 GLN A 54 73.913 1.799 -11.588 1.00 1.00 N flip ATOM 0 H GLN A 54 75.622 -1.325 -11.544 1.00 1.00 H new ATOM 0 HA GLN A 54 74.087 -3.599 -10.969 1.00 1.00 H new ATOM 0 HB2 GLN A 54 72.200 -2.003 -11.786 1.00 1.00 H new ATOM 0 HB3 GLN A 54 73.190 -1.431 -10.458 1.00 1.00 H new ATOM 0 HG2 GLN A 54 74.331 -0.759 -13.138 1.00 1.00 H new ATOM 0 HG3 GLN A 54 72.754 -0.042 -12.869 1.00 1.00 H new ATOM 0 HE21 GLN A 54 73.189 2.055 -12.260 1.00 1.00 H new ATOM 0 HE22 GLN A 54 74.343 2.516 -11.003 1.00 1.00 H new ATOM 807 N ILE A 55 74.287 -4.760 -13.224 1.00 1.00 N ATOM 808 CA ILE A 55 74.052 -5.536 -14.434 1.00 1.00 C ATOM 809 C ILE A 55 73.810 -7.003 -14.077 1.00 1.00 C ATOM 810 O ILE A 55 74.167 -7.445 -12.984 1.00 1.00 O ATOM 811 CB ILE A 55 75.259 -5.417 -15.373 1.00 1.00 C ATOM 812 CG1 ILE A 55 74.877 -5.908 -16.808 1.00 1.00 C ATOM 813 CG2 ILE A 55 76.424 -6.251 -14.814 1.00 1.00 C ATOM 814 CD1 ILE A 55 74.957 -4.746 -17.804 1.00 1.00 C ATOM 0 H ILE A 55 74.768 -5.275 -12.487 1.00 1.00 H new ATOM 0 HA ILE A 55 73.169 -5.146 -14.939 1.00 1.00 H new ATOM 0 HB ILE A 55 75.565 -4.373 -15.438 1.00 1.00 H new ATOM 0 HG12 ILE A 55 75.549 -6.708 -17.117 1.00 1.00 H new ATOM 0 HG13 ILE A 55 73.869 -6.323 -16.802 1.00 1.00 H new ATOM 0 HG21 ILE A 55 77.283 -6.168 -15.480 1.00 1.00 H new ATOM 0 HG22 ILE A 55 76.694 -5.881 -13.825 1.00 1.00 H new ATOM 0 HG23 ILE A 55 76.121 -7.296 -14.741 1.00 1.00 H new ATOM 0 HD11 ILE A 55 74.689 -5.101 -18.799 1.00 1.00 H new ATOM 0 HD12 ILE A 55 74.267 -3.959 -17.501 1.00 1.00 H new ATOM 0 HD13 ILE A 55 75.973 -4.351 -17.821 1.00 1.00 H new ATOM 826 N GLY A 56 73.174 -7.752 -14.977 1.00 1.00 N ATOM 827 CA GLY A 56 72.858 -9.155 -14.719 1.00 1.00 C ATOM 828 C GLY A 56 71.355 -9.347 -14.640 1.00 1.00 C ATOM 829 O GLY A 56 70.874 -10.465 -14.444 1.00 1.00 O ATOM 0 H GLY A 56 72.868 -7.411 -15.889 1.00 1.00 H new ATOM 0 HA2 GLY A 56 73.271 -9.780 -15.511 1.00 1.00 H new ATOM 0 HA3 GLY A 56 73.322 -9.474 -13.786 1.00 1.00 H new ATOM 833 N ASP A 57 70.599 -8.265 -14.822 1.00 1.00 N ATOM 834 CA ASP A 57 69.150 -8.392 -14.784 1.00 1.00 C ATOM 835 C ASP A 57 68.640 -8.907 -16.126 1.00 1.00 C ATOM 836 O ASP A 57 68.427 -8.148 -17.068 1.00 1.00 O ATOM 837 CB ASP A 57 68.497 -7.031 -14.490 1.00 1.00 C ATOM 838 CG ASP A 57 68.735 -6.050 -15.636 1.00 1.00 C ATOM 839 OD1 ASP A 57 69.884 -5.853 -15.992 1.00 1.00 O ATOM 840 OD2 ASP A 57 67.763 -5.498 -16.126 1.00 1.00 O ATOM 0 H ASP A 57 70.953 -7.323 -14.991 1.00 1.00 H new ATOM 0 HA ASP A 57 68.888 -9.094 -13.993 1.00 1.00 H new ATOM 0 HB2 ASP A 57 67.426 -7.163 -14.336 1.00 1.00 H new ATOM 0 HB3 ASP A 57 68.903 -6.621 -13.565 1.00 1.00 H new ATOM 845 N TRP A 58 68.486 -10.219 -16.219 1.00 1.00 N ATOM 846 CA TRP A 58 68.044 -10.841 -17.462 1.00 1.00 C ATOM 847 C TRP A 58 66.501 -10.924 -17.541 1.00 1.00 C ATOM 848 O TRP A 58 65.771 -10.664 -16.581 1.00 1.00 O ATOM 849 CB TRP A 58 68.690 -12.234 -17.610 1.00 1.00 C ATOM 850 CG TRP A 58 70.089 -12.153 -18.194 1.00 1.00 C ATOM 851 CD1 TRP A 58 70.957 -11.121 -18.024 1.00 1.00 C ATOM 852 CD2 TRP A 58 70.806 -13.148 -19.006 1.00 1.00 C ATOM 853 NE1 TRP A 58 72.151 -11.423 -18.665 1.00 1.00 N ATOM 854 CE2 TRP A 58 72.106 -12.656 -19.283 1.00 1.00 C ATOM 855 CE3 TRP A 58 70.462 -14.416 -19.521 1.00 1.00 C ATOM 856 CZ2 TRP A 58 73.028 -13.393 -20.036 1.00 1.00 C ATOM 857 CZ3 TRP A 58 71.388 -15.155 -20.281 1.00 1.00 C ATOM 858 CH2 TRP A 58 72.667 -14.647 -20.536 1.00 1.00 C ATOM 0 H TRP A 58 68.659 -10.872 -15.455 1.00 1.00 H new ATOM 0 HA TRP A 58 68.369 -10.216 -18.294 1.00 1.00 H new ATOM 0 HB2 TRP A 58 68.732 -12.720 -16.635 1.00 1.00 H new ATOM 0 HB3 TRP A 58 68.065 -12.857 -18.250 1.00 1.00 H new ATOM 0 HD1 TRP A 58 70.751 -10.212 -17.478 1.00 1.00 H new ATOM 0 HE1 TRP A 58 72.964 -10.807 -18.678 1.00 1.00 H new ATOM 0 HE3 TRP A 58 69.480 -14.823 -19.330 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 74.013 -12.994 -20.229 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 71.109 -16.123 -20.671 1.00 1.00 H new ATOM 0 HH2 TRP A 58 73.373 -15.222 -21.117 1.00 1.00 H new ATOM 869 N ARG A 59 66.086 -11.268 -18.735 1.00 1.00 N ATOM 870 CA ARG A 59 64.654 -11.380 -19.060 1.00 1.00 C ATOM 871 C ARG A 59 64.040 -12.739 -18.671 1.00 1.00 C ATOM 872 O ARG A 59 63.111 -12.796 -17.864 1.00 1.00 O ATOM 873 CB ARG A 59 64.429 -11.122 -20.554 1.00 1.00 C ATOM 874 CG ARG A 59 65.325 -12.065 -21.396 1.00 1.00 C ATOM 875 CD ARG A 59 65.758 -11.385 -22.709 1.00 1.00 C ATOM 876 NE ARG A 59 66.977 -12.015 -23.204 1.00 1.00 N ATOM 877 CZ ARG A 59 66.942 -13.109 -23.955 1.00 1.00 C ATOM 878 NH1 ARG A 59 65.799 -13.659 -24.261 1.00 1.00 N ATOM 879 NH2 ARG A 59 68.056 -13.639 -24.379 1.00 1.00 N ATOM 0 H ARG A 59 66.710 -11.480 -19.513 1.00 1.00 H new ATOM 0 HA ARG A 59 64.146 -10.622 -18.464 1.00 1.00 H new ATOM 0 HB2 ARG A 59 63.381 -11.283 -20.805 1.00 1.00 H new ATOM 0 HB3 ARG A 59 64.658 -10.083 -20.790 1.00 1.00 H new ATOM 0 HG2 ARG A 59 66.206 -12.346 -20.820 1.00 1.00 H new ATOM 0 HG3 ARG A 59 64.783 -12.984 -21.619 1.00 1.00 H new ATOM 0 HD2 ARG A 59 64.965 -11.468 -23.453 1.00 1.00 H new ATOM 0 HD3 ARG A 59 65.928 -10.321 -22.541 1.00 1.00 H new ATOM 0 HE ARG A 59 67.880 -11.604 -22.967 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.929 -13.248 -23.923 1.00 1.00 H new ATOM 0 HH12 ARG A 59 65.776 -14.500 -24.838 1.00 1.00 H new ATOM 0 HH21 ARG A 59 68.950 -13.213 -24.133 1.00 1.00 H new ATOM 0 HH22 ARG A 59 68.034 -14.480 -24.956 1.00 1.00 H new ATOM 893 N TYR A 60 64.549 -13.812 -19.247 1.00 1.00 N ATOM 894 CA TYR A 60 64.037 -15.173 -18.978 1.00 1.00 C ATOM 895 C TYR A 60 64.735 -15.859 -17.788 1.00 1.00 C ATOM 896 O TYR A 60 64.243 -16.861 -17.230 1.00 1.00 O ATOM 897 CB TYR A 60 64.167 -16.034 -20.262 1.00 1.00 C ATOM 898 CG TYR A 60 65.227 -17.095 -20.072 1.00 1.00 C ATOM 899 CD1 TYR A 60 66.575 -16.733 -20.075 1.00 1.00 C ATOM 900 CD2 TYR A 60 64.856 -18.424 -19.838 1.00 1.00 C ATOM 901 CE1 TYR A 60 67.558 -17.696 -19.846 1.00 1.00 C ATOM 902 CE2 TYR A 60 65.839 -19.393 -19.616 1.00 1.00 C ATOM 903 CZ TYR A 60 67.191 -19.028 -19.617 1.00 1.00 C ATOM 904 OH TYR A 60 68.163 -19.975 -19.375 1.00 1.00 O ATOM 0 H TYR A 60 65.323 -13.782 -19.911 1.00 1.00 H new ATOM 0 HA TYR A 60 62.988 -15.078 -18.696 1.00 1.00 H new ATOM 0 HB2 TYR A 60 63.210 -16.502 -20.493 1.00 1.00 H new ATOM 0 HB3 TYR A 60 64.425 -15.399 -21.110 1.00 1.00 H new ATOM 0 HD1 TYR A 60 66.857 -15.706 -20.255 1.00 1.00 H new ATOM 0 HD2 TYR A 60 63.812 -18.701 -19.829 1.00 1.00 H new ATOM 0 HE1 TYR A 60 68.601 -17.415 -19.845 1.00 1.00 H new ATOM 0 HE2 TYR A 60 65.556 -20.421 -19.444 1.00 1.00 H new ATOM 0 HH TYR A 60 67.741 -20.848 -19.235 1.00 1.00 H new ATOM 914 N GLU A 61 65.886 -15.355 -17.419 1.00 1.00 N ATOM 915 CA GLU A 61 66.653 -15.944 -16.345 1.00 1.00 C ATOM 916 C GLU A 61 65.989 -15.693 -15.019 1.00 1.00 C ATOM 917 O GLU A 61 66.392 -16.233 -14.011 1.00 1.00 O ATOM 918 CB GLU A 61 68.053 -15.322 -16.322 1.00 1.00 C ATOM 919 CG GLU A 61 69.070 -16.298 -15.745 1.00 1.00 C ATOM 920 CD GLU A 61 70.445 -15.639 -15.719 1.00 1.00 C ATOM 921 OE1 GLU A 61 70.522 -14.459 -16.030 1.00 1.00 O ATOM 922 OE2 GLU A 61 71.400 -16.320 -15.393 1.00 1.00 O ATOM 0 H GLU A 61 66.316 -14.535 -17.847 1.00 1.00 H new ATOM 0 HA GLU A 61 66.717 -17.019 -16.513 1.00 1.00 H new ATOM 0 HB2 GLU A 61 68.347 -15.039 -17.333 1.00 1.00 H new ATOM 0 HB3 GLU A 61 68.040 -14.409 -15.727 1.00 1.00 H new ATOM 0 HG2 GLU A 61 68.777 -16.593 -14.738 1.00 1.00 H new ATOM 0 HG3 GLU A 61 69.101 -17.206 -16.347 1.00 1.00 H new ATOM 929 N VAL A 62 65.028 -14.805 -14.995 1.00 1.00 N ATOM 930 CA VAL A 62 64.409 -14.430 -13.728 1.00 1.00 C ATOM 931 C VAL A 62 64.114 -15.664 -12.912 1.00 1.00 C ATOM 932 O VAL A 62 64.559 -15.776 -11.782 1.00 1.00 O ATOM 933 CB VAL A 62 63.112 -13.649 -13.995 1.00 1.00 C ATOM 934 CG1 VAL A 62 63.469 -12.288 -14.597 1.00 1.00 C ATOM 935 CG2 VAL A 62 62.194 -14.424 -14.970 1.00 1.00 C ATOM 0 H VAL A 62 64.655 -14.330 -15.817 1.00 1.00 H new ATOM 0 HA VAL A 62 65.096 -13.796 -13.168 1.00 1.00 H new ATOM 0 HB VAL A 62 62.577 -13.517 -13.055 1.00 1.00 H new ATOM 0 HG11 VAL A 62 62.556 -11.725 -14.791 1.00 1.00 H new ATOM 0 HG12 VAL A 62 64.096 -11.734 -13.898 1.00 1.00 H new ATOM 0 HG13 VAL A 62 64.010 -12.434 -15.532 1.00 1.00 H new ATOM 0 HG21 VAL A 62 61.283 -13.852 -15.144 1.00 1.00 H new ATOM 0 HG22 VAL A 62 62.714 -14.575 -15.916 1.00 1.00 H new ATOM 0 HG23 VAL A 62 61.938 -15.391 -14.538 1.00 1.00 H new ATOM 945 N ALA A 63 63.371 -16.579 -13.467 1.00 1.00 N ATOM 946 CA ALA A 63 63.045 -17.783 -12.771 1.00 1.00 C ATOM 947 C ALA A 63 64.308 -18.598 -12.552 1.00 1.00 C ATOM 948 O ALA A 63 64.613 -19.023 -11.432 1.00 1.00 O ATOM 949 CB ALA A 63 62.054 -18.578 -13.620 1.00 1.00 C ATOM 0 H ALA A 63 62.979 -16.509 -14.406 1.00 1.00 H new ATOM 0 HA ALA A 63 62.602 -17.552 -11.802 1.00 1.00 H new ATOM 0 HB1 ALA A 63 61.793 -19.502 -13.104 1.00 1.00 H new ATOM 0 HB2 ALA A 63 61.154 -17.985 -13.780 1.00 1.00 H new ATOM 0 HB3 ALA A 63 62.508 -18.815 -14.582 1.00 1.00 H new ATOM 955 N HIS A 64 65.064 -18.787 -13.630 1.00 1.00 N ATOM 956 CA HIS A 64 66.293 -19.562 -13.517 1.00 1.00 C ATOM 957 C HIS A 64 67.185 -18.976 -12.397 1.00 1.00 C ATOM 958 O HIS A 64 67.478 -19.638 -11.398 1.00 1.00 O ATOM 959 CB HIS A 64 67.011 -19.544 -14.879 1.00 1.00 C ATOM 960 CG HIS A 64 67.793 -20.814 -15.069 1.00 1.00 C ATOM 961 ND1 HIS A 64 67.481 -21.732 -16.060 1.00 1.00 N ATOM 962 CD2 HIS A 64 68.854 -21.343 -14.387 1.00 1.00 C ATOM 963 CE1 HIS A 64 68.341 -22.760 -15.943 1.00 1.00 C ATOM 964 NE2 HIS A 64 69.200 -22.571 -14.938 1.00 1.00 N ATOM 0 H HIS A 64 64.857 -18.427 -14.562 1.00 1.00 H new ATOM 0 HA HIS A 64 66.069 -20.595 -13.250 1.00 1.00 H new ATOM 0 HB2 HIS A 64 66.282 -19.434 -15.682 1.00 1.00 H new ATOM 0 HB3 HIS A 64 67.679 -18.685 -14.935 1.00 1.00 H new ATOM 0 HD2 HIS A 64 69.348 -20.877 -13.547 1.00 1.00 H new ATOM 0 HE1 HIS A 64 68.337 -23.630 -16.583 1.00 1.00 H new ATOM 0 HE2 HIS A 64 69.950 -23.195 -14.639 1.00 1.00 H new ATOM 972 N ASP A 65 67.569 -17.718 -12.546 1.00 1.00 N ATOM 973 CA ASP A 65 68.375 -17.035 -11.535 1.00 1.00 C ATOM 974 C ASP A 65 67.567 -16.838 -10.233 1.00 1.00 C ATOM 975 O ASP A 65 67.965 -17.280 -9.140 1.00 1.00 O ATOM 976 CB ASP A 65 68.842 -15.674 -12.100 1.00 1.00 C ATOM 977 CG ASP A 65 69.249 -14.718 -10.979 1.00 1.00 C ATOM 978 OD1 ASP A 65 70.234 -14.992 -10.314 1.00 1.00 O ATOM 979 OD2 ASP A 65 68.567 -13.719 -10.804 1.00 1.00 O ATOM 0 H ASP A 65 67.337 -17.145 -13.357 1.00 1.00 H new ATOM 0 HA ASP A 65 69.246 -17.645 -11.294 1.00 1.00 H new ATOM 0 HB2 ASP A 65 69.685 -15.827 -12.774 1.00 1.00 H new ATOM 0 HB3 ASP A 65 68.040 -15.228 -12.688 1.00 1.00 H new ATOM 984 N GLY A 66 66.402 -16.218 -10.338 1.00 1.00 N ATOM 985 CA GLY A 66 65.547 -15.995 -9.180 1.00 1.00 C ATOM 986 C GLY A 66 65.014 -17.295 -8.590 1.00 1.00 C ATOM 987 O GLY A 66 63.978 -17.304 -7.923 1.00 1.00 O ATOM 0 H GLY A 66 66.025 -15.859 -11.215 1.00 1.00 H new ATOM 0 HA2 GLY A 66 66.108 -15.456 -8.416 1.00 1.00 H new ATOM 0 HA3 GLY A 66 64.709 -15.360 -9.468 1.00 1.00 H new ATOM 991 N ARG A 67 65.759 -18.373 -8.763 1.00 1.00 N ATOM 992 CA ARG A 67 65.395 -19.645 -8.167 1.00 1.00 C ATOM 993 C ARG A 67 65.734 -19.605 -6.690 1.00 1.00 C ATOM 994 O ARG A 67 65.542 -20.609 -6.007 1.00 1.00 O ATOM 995 CB ARG A 67 66.106 -20.844 -8.790 1.00 1.00 C ATOM 996 CG ARG A 67 65.343 -21.404 -10.022 1.00 1.00 C ATOM 997 CD ARG A 67 65.045 -22.900 -9.838 1.00 1.00 C ATOM 998 NE ARG A 67 64.874 -23.514 -11.141 1.00 1.00 N ATOM 999 CZ ARG A 67 63.679 -23.689 -11.692 1.00 1.00 C ATOM 1000 NH1 ARG A 67 62.590 -23.310 -11.070 1.00 1.00 N ATOM 1001 NH2 ARG A 67 63.604 -24.234 -12.869 1.00 1.00 N ATOM 0 H ARG A 67 66.619 -18.392 -9.311 1.00 1.00 H new ATOM 0 HA ARG A 67 64.328 -19.779 -8.344 1.00 1.00 H new ATOM 0 HB2 ARG A 67 67.112 -20.552 -9.090 1.00 1.00 H new ATOM 0 HB3 ARG A 67 66.212 -21.630 -8.042 1.00 1.00 H new ATOM 0 HG2 ARG A 67 64.411 -20.856 -10.159 1.00 1.00 H new ATOM 0 HG3 ARG A 67 65.937 -21.254 -10.924 1.00 1.00 H new ATOM 0 HD2 ARG A 67 65.861 -23.382 -9.299 1.00 1.00 H new ATOM 0 HD3 ARG A 67 64.144 -23.033 -9.239 1.00 1.00 H new ATOM 0 HE ARG A 67 65.701 -23.822 -11.652 1.00 1.00 H new ATOM 0 HH11 ARG A 67 62.654 -22.874 -10.150 1.00 1.00 H new ATOM 0 HH12 ARG A 67 61.679 -23.451 -11.506 1.00 1.00 H new ATOM 0 HH21 ARG A 67 64.455 -24.519 -13.354 1.00 1.00 H new ATOM 0 HH22 ARG A 67 62.694 -24.376 -13.308 1.00 1.00 H new ATOM 1015 N LEU A 68 66.301 -18.472 -6.229 1.00 1.00 N ATOM 1016 CA LEU A 68 66.724 -18.348 -4.808 1.00 1.00 C ATOM 1017 C LEU A 68 65.746 -19.187 -3.950 1.00 1.00 C ATOM 1018 O LEU A 68 66.084 -19.673 -2.880 1.00 1.00 O ATOM 1019 CB LEU A 68 66.720 -16.861 -4.347 1.00 1.00 C ATOM 1020 CG LEU A 68 67.831 -16.575 -3.285 1.00 1.00 C ATOM 1021 CD1 LEU A 68 68.333 -15.141 -3.432 1.00 1.00 C ATOM 1022 CD2 LEU A 68 67.283 -16.739 -1.860 1.00 1.00 C ATOM 0 H LEU A 68 66.476 -17.645 -6.799 1.00 1.00 H new ATOM 0 HA LEU A 68 67.744 -18.714 -4.692 1.00 1.00 H new ATOM 0 HB2 LEU A 68 66.869 -16.213 -5.211 1.00 1.00 H new ATOM 0 HB3 LEU A 68 65.745 -16.614 -3.927 1.00 1.00 H new ATOM 0 HG LEU A 68 68.640 -17.286 -3.452 1.00 1.00 H new ATOM 0 HD11 LEU A 68 69.107 -14.948 -2.689 1.00 1.00 H new ATOM 0 HD12 LEU A 68 68.746 -15.001 -4.431 1.00 1.00 H new ATOM 0 HD13 LEU A 68 67.505 -14.448 -3.281 1.00 1.00 H new ATOM 0 HD21 LEU A 68 68.075 -16.535 -1.140 1.00 1.00 H new ATOM 0 HD22 LEU A 68 66.461 -16.040 -1.704 1.00 1.00 H new ATOM 0 HD23 LEU A 68 66.923 -17.759 -1.724 1.00 1.00 H new ATOM 1034 N LEU A 69 64.527 -19.367 -4.455 1.00 1.00 N ATOM 1035 CA LEU A 69 63.563 -20.208 -3.729 1.00 1.00 C ATOM 1036 C LEU A 69 64.065 -21.672 -3.745 1.00 1.00 C ATOM 1037 O LEU A 69 64.447 -22.207 -2.702 1.00 1.00 O ATOM 1038 CB LEU A 69 62.191 -20.126 -4.416 1.00 1.00 C ATOM 1039 CG LEU A 69 61.253 -21.229 -3.900 1.00 1.00 C ATOM 1040 CD1 LEU A 69 61.119 -21.128 -2.379 1.00 1.00 C ATOM 1041 CD2 LEU A 69 59.883 -21.047 -4.549 1.00 1.00 C ATOM 0 H LEU A 69 64.187 -18.963 -5.328 1.00 1.00 H new ATOM 0 HA LEU A 69 63.469 -19.861 -2.700 1.00 1.00 H new ATOM 0 HB2 LEU A 69 61.745 -19.148 -4.232 1.00 1.00 H new ATOM 0 HB3 LEU A 69 62.314 -20.222 -5.495 1.00 1.00 H new ATOM 0 HG LEU A 69 61.659 -22.208 -4.153 1.00 1.00 H new ATOM 0 HD11 LEU A 69 60.453 -21.912 -2.020 1.00 1.00 H new ATOM 0 HD12 LEU A 69 62.100 -21.246 -1.919 1.00 1.00 H new ATOM 0 HD13 LEU A 69 60.708 -20.154 -2.114 1.00 1.00 H new ATOM 0 HD21 LEU A 69 59.206 -21.823 -4.193 1.00 1.00 H new ATOM 0 HD22 LEU A 69 59.483 -20.068 -4.286 1.00 1.00 H new ATOM 0 HD23 LEU A 69 59.981 -21.120 -5.632 1.00 1.00 H new ATOM 1053 N ALA A 70 64.083 -22.321 -4.927 1.00 1.00 N ATOM 1054 CA ALA A 70 64.572 -23.708 -4.991 1.00 1.00 C ATOM 1055 C ALA A 70 66.098 -23.661 -4.957 1.00 1.00 C ATOM 1056 O ALA A 70 66.696 -23.964 -3.937 1.00 1.00 O ATOM 1057 CB ALA A 70 64.060 -24.385 -6.274 1.00 1.00 C ATOM 0 H ALA A 70 63.777 -21.925 -5.816 1.00 1.00 H new ATOM 0 HA ALA A 70 64.205 -24.293 -4.148 1.00 1.00 H new ATOM 0 HB1 ALA A 70 64.426 -25.411 -6.315 1.00 1.00 H new ATOM 0 HB2 ALA A 70 62.970 -24.388 -6.274 1.00 1.00 H new ATOM 0 HB3 ALA A 70 64.421 -23.836 -7.144 1.00 1.00 H new ATOM 1063 N ALA A 71 66.711 -23.241 -6.071 1.00 1.00 N ATOM 1064 CA ALA A 71 68.166 -23.087 -6.207 1.00 1.00 C ATOM 1065 C ALA A 71 68.781 -22.322 -5.031 1.00 1.00 C ATOM 1066 O ALA A 71 69.965 -21.986 -5.065 1.00 1.00 O ATOM 1067 CB ALA A 71 68.530 -22.421 -7.540 1.00 1.00 C ATOM 0 H ALA A 71 66.201 -22.994 -6.919 1.00 1.00 H new ATOM 0 HA ALA A 71 68.591 -24.090 -6.196 1.00 1.00 H new ATOM 0 HB1 ALA A 71 69.613 -22.320 -7.613 1.00 1.00 H new ATOM 0 HB2 ALA A 71 68.167 -23.034 -8.364 1.00 1.00 H new ATOM 0 HB3 ALA A 71 68.070 -21.434 -7.591 1.00 1.00 H new ATOM 1073 N HIS A 72 67.964 -22.011 -4.020 1.00 1.00 N ATOM 1074 CA HIS A 72 68.390 -21.247 -2.849 1.00 1.00 C ATOM 1075 C HIS A 72 69.890 -21.305 -2.638 1.00 1.00 C ATOM 1076 O HIS A 72 70.577 -20.338 -2.962 1.00 1.00 O ATOM 1077 CB HIS A 72 67.678 -21.855 -1.627 1.00 1.00 C ATOM 1078 CG HIS A 72 67.813 -23.370 -1.659 1.00 1.00 C ATOM 1079 ND1 HIS A 72 68.625 -24.029 -2.576 1.00 1.00 N ATOM 1080 CD2 HIS A 72 67.253 -24.366 -0.888 1.00 1.00 C ATOM 1081 CE1 HIS A 72 68.534 -25.349 -2.335 1.00 1.00 C ATOM 1082 NE2 HIS A 72 67.712 -25.610 -1.317 1.00 1.00 N ATOM 0 H HIS A 72 66.982 -22.285 -3.993 1.00 1.00 H new ATOM 0 HA HIS A 72 68.131 -20.198 -2.994 1.00 1.00 H new ATOM 0 HB2 HIS A 72 68.111 -21.461 -0.708 1.00 1.00 H new ATOM 0 HB3 HIS A 72 66.625 -21.574 -1.630 1.00 1.00 H new ATOM 0 HD2 HIS A 72 66.562 -24.206 -0.073 1.00 1.00 H new ATOM 0 HE1 HIS A 72 69.062 -26.105 -2.897 1.00 1.00 H new ATOM 0 HE2 HIS A 72 67.471 -26.524 -0.935 1.00 1.00 H new ATOM 1090 N MET A 73 70.419 -22.396 -2.140 1.00 1.00 N ATOM 1091 CA MET A 73 71.851 -22.461 -1.981 1.00 1.00 C ATOM 1092 C MET A 73 72.512 -22.524 -3.353 1.00 1.00 C ATOM 1093 O MET A 73 73.526 -21.860 -3.580 1.00 1.00 O ATOM 1094 CB MET A 73 72.227 -23.653 -1.120 1.00 1.00 C ATOM 1095 CG MET A 73 71.964 -23.290 0.344 1.00 1.00 C ATOM 1096 SD MET A 73 72.301 -24.715 1.397 1.00 1.00 S ATOM 1097 CE MET A 73 70.738 -25.590 1.130 1.00 1.00 C ATOM 0 H MET A 73 69.901 -23.224 -1.847 1.00 1.00 H new ATOM 0 HA MET A 73 72.208 -21.565 -1.473 1.00 1.00 H new ATOM 0 HB2 MET A 73 71.642 -24.527 -1.405 1.00 1.00 H new ATOM 0 HB3 MET A 73 73.276 -23.910 -1.265 1.00 1.00 H new ATOM 0 HG2 MET A 73 72.594 -22.451 0.639 1.00 1.00 H new ATOM 0 HG3 MET A 73 70.929 -22.971 0.469 1.00 1.00 H new ATOM 0 HE1 MET A 73 70.151 -25.574 2.048 1.00 1.00 H new ATOM 0 HE2 MET A 73 70.179 -25.101 0.333 1.00 1.00 H new ATOM 0 HE3 MET A 73 70.943 -26.623 0.848 1.00 1.00 H new ATOM 1107 N VAL A 74 71.989 -23.367 -4.260 1.00 1.00 N ATOM 1108 CA VAL A 74 72.613 -23.540 -5.576 1.00 1.00 C ATOM 1109 C VAL A 74 73.069 -22.197 -6.120 1.00 1.00 C ATOM 1110 O VAL A 74 74.170 -22.124 -6.658 1.00 1.00 O ATOM 1111 CB VAL A 74 71.615 -24.171 -6.531 1.00 1.00 C ATOM 1112 CG1 VAL A 74 72.200 -24.246 -7.939 1.00 1.00 C ATOM 1113 CG2 VAL A 74 71.238 -25.576 -6.051 1.00 1.00 C ATOM 0 H VAL A 74 71.151 -23.928 -4.107 1.00 1.00 H new ATOM 0 HA VAL A 74 73.482 -24.191 -5.476 1.00 1.00 H new ATOM 0 HB VAL A 74 70.719 -23.550 -6.553 1.00 1.00 H new ATOM 0 HG11 VAL A 74 71.473 -24.701 -8.611 1.00 1.00 H new ATOM 0 HG12 VAL A 74 72.438 -23.241 -8.288 1.00 1.00 H new ATOM 0 HG13 VAL A 74 73.107 -24.850 -7.924 1.00 1.00 H new ATOM 0 HG21 VAL A 74 70.522 -26.017 -6.744 1.00 1.00 H new ATOM 0 HG22 VAL A 74 72.132 -26.198 -6.008 1.00 1.00 H new ATOM 0 HG23 VAL A 74 70.791 -25.514 -5.059 1.00 1.00 H new ATOM 1123 N ASN A 75 72.256 -21.134 -5.979 1.00 1.00 N ATOM 1124 CA ASN A 75 72.643 -19.785 -6.450 1.00 1.00 C ATOM 1125 C ASN A 75 74.154 -19.540 -6.227 1.00 1.00 C ATOM 1126 O ASN A 75 74.758 -18.651 -6.830 1.00 1.00 O ATOM 1127 CB ASN A 75 71.823 -18.729 -5.665 1.00 1.00 C ATOM 1128 CG ASN A 75 70.736 -18.108 -6.539 1.00 1.00 C ATOM 1129 OD1 ASN A 75 70.937 -16.935 -7.066 1.00 1.00 O flip ATOM 1130 ND2 ASN A 75 69.681 -18.706 -6.742 1.00 1.00 N flip ATOM 0 H ASN A 75 71.333 -21.179 -5.547 1.00 1.00 H new ATOM 0 HA ASN A 75 72.437 -19.706 -7.518 1.00 1.00 H new ATOM 0 HB2 ASN A 75 71.368 -19.195 -4.791 1.00 1.00 H new ATOM 0 HB3 ASN A 75 72.489 -17.947 -5.299 1.00 1.00 H new ATOM 0 HD21 ASN A 75 69.528 -19.625 -6.327 1.00 1.00 H new ATOM 0 HD22 ASN A 75 68.959 -18.283 -7.325 1.00 1.00 H new ATOM 1137 N GLY A 76 74.733 -20.391 -5.398 1.00 1.00 N ATOM 1138 CA GLY A 76 76.155 -20.359 -5.116 1.00 1.00 C ATOM 1139 C GLY A 76 76.917 -20.167 -6.439 1.00 1.00 C ATOM 1140 O GLY A 76 78.063 -19.775 -6.447 1.00 1.00 O ATOM 0 H GLY A 76 74.228 -21.125 -4.901 1.00 1.00 H new ATOM 0 HA2 GLY A 76 76.385 -19.547 -4.426 1.00 1.00 H new ATOM 0 HA3 GLY A 76 76.465 -21.285 -4.632 1.00 1.00 H new ATOM 1144 N ILE A 77 76.251 -20.482 -7.560 1.00 1.00 N ATOM 1145 CA ILE A 77 76.872 -20.315 -8.895 1.00 1.00 C ATOM 1146 C ILE A 77 76.924 -18.807 -9.227 1.00 1.00 C ATOM 1147 O ILE A 77 77.927 -18.272 -9.688 1.00 1.00 O ATOM 1148 CB ILE A 77 76.083 -21.108 -9.980 1.00 1.00 C ATOM 1149 CG1 ILE A 77 76.150 -20.377 -11.340 1.00 1.00 C ATOM 1150 CG2 ILE A 77 74.612 -21.289 -9.557 1.00 1.00 C ATOM 1151 CD1 ILE A 77 75.685 -21.307 -12.465 1.00 1.00 C ATOM 0 H ILE A 77 75.299 -20.848 -7.577 1.00 1.00 H new ATOM 0 HA ILE A 77 77.885 -20.718 -8.883 1.00 1.00 H new ATOM 0 HB ILE A 77 76.543 -22.091 -10.083 1.00 1.00 H new ATOM 0 HG12 ILE A 77 75.523 -19.486 -11.313 1.00 1.00 H new ATOM 0 HG13 ILE A 77 77.170 -20.044 -11.532 1.00 1.00 H new ATOM 0 HG21 ILE A 77 74.078 -21.845 -10.327 1.00 1.00 H new ATOM 0 HG22 ILE A 77 74.569 -21.839 -8.617 1.00 1.00 H new ATOM 0 HG23 ILE A 77 74.148 -20.311 -9.427 1.00 1.00 H new ATOM 0 HD11 ILE A 77 75.737 -20.780 -13.418 1.00 1.00 H new ATOM 0 HD12 ILE A 77 76.329 -22.185 -12.501 1.00 1.00 H new ATOM 0 HD13 ILE A 77 74.657 -21.618 -12.278 1.00 1.00 H new ATOM 1163 N VAL A 78 75.753 -18.218 -9.050 1.00 1.00 N ATOM 1164 CA VAL A 78 75.561 -16.818 -9.382 1.00 1.00 C ATOM 1165 C VAL A 78 76.876 -16.062 -9.048 1.00 1.00 C ATOM 1166 O VAL A 78 77.287 -15.164 -9.780 1.00 1.00 O ATOM 1167 CB VAL A 78 74.371 -16.214 -8.641 1.00 1.00 C ATOM 1168 CG1 VAL A 78 74.298 -14.717 -8.957 1.00 1.00 C ATOM 1169 CG2 VAL A 78 73.081 -16.893 -9.121 1.00 1.00 C ATOM 0 H VAL A 78 74.925 -18.686 -8.680 1.00 1.00 H new ATOM 0 HA VAL A 78 75.333 -16.724 -10.444 1.00 1.00 H new ATOM 0 HB VAL A 78 74.487 -16.363 -7.567 1.00 1.00 H new ATOM 0 HG11 VAL A 78 73.451 -14.275 -8.432 1.00 1.00 H new ATOM 0 HG12 VAL A 78 75.219 -14.231 -8.633 1.00 1.00 H new ATOM 0 HG13 VAL A 78 74.173 -14.577 -10.031 1.00 1.00 H new ATOM 0 HG21 VAL A 78 72.227 -16.466 -8.595 1.00 1.00 H new ATOM 0 HG22 VAL A 78 72.963 -16.734 -10.193 1.00 1.00 H new ATOM 0 HG23 VAL A 78 73.135 -17.962 -8.916 1.00 1.00 H new ATOM 1179 N ILE A 79 77.542 -16.482 -7.956 1.00 1.00 N ATOM 1180 CA ILE A 79 78.832 -15.899 -7.538 1.00 1.00 C ATOM 1181 C ILE A 79 80.024 -16.729 -8.070 1.00 1.00 C ATOM 1182 O ILE A 79 81.127 -16.211 -8.250 1.00 1.00 O ATOM 1183 CB ILE A 79 78.881 -15.808 -5.998 1.00 1.00 C ATOM 1184 CG1 ILE A 79 79.161 -17.205 -5.383 1.00 1.00 C ATOM 1185 CG2 ILE A 79 77.519 -15.301 -5.500 1.00 1.00 C ATOM 1186 CD1 ILE A 79 80.641 -17.370 -5.018 1.00 1.00 C ATOM 0 H ILE A 79 77.206 -17.226 -7.345 1.00 1.00 H new ATOM 0 HA ILE A 79 78.914 -14.899 -7.963 1.00 1.00 H new ATOM 0 HB ILE A 79 79.678 -15.128 -5.698 1.00 1.00 H new ATOM 0 HG12 ILE A 79 78.548 -17.341 -4.492 1.00 1.00 H new ATOM 0 HG13 ILE A 79 78.871 -17.981 -6.092 1.00 1.00 H new ATOM 0 HG21 ILE A 79 77.533 -15.230 -4.412 1.00 1.00 H new ATOM 0 HG22 ILE A 79 77.319 -14.318 -5.926 1.00 1.00 H new ATOM 0 HG23 ILE A 79 76.737 -15.996 -5.808 1.00 1.00 H new ATOM 0 HD11 ILE A 79 80.802 -18.359 -4.590 1.00 1.00 H new ATOM 0 HD12 ILE A 79 81.251 -17.259 -5.914 1.00 1.00 H new ATOM 0 HD13 ILE A 79 80.923 -16.609 -4.290 1.00 1.00 H new ATOM 1198 N ALA A 80 79.789 -18.023 -8.334 1.00 1.00 N ATOM 1199 CA ALA A 80 80.843 -18.910 -8.860 1.00 1.00 C ATOM 1200 C ALA A 80 81.023 -18.736 -10.380 1.00 1.00 C ATOM 1201 O ALA A 80 82.049 -19.135 -10.935 1.00 1.00 O ATOM 1202 CB ALA A 80 80.550 -20.387 -8.525 1.00 1.00 C ATOM 0 H ALA A 80 78.887 -18.478 -8.194 1.00 1.00 H new ATOM 0 HA ALA A 80 81.774 -18.623 -8.372 1.00 1.00 H new ATOM 0 HB1 ALA A 80 81.345 -21.016 -8.926 1.00 1.00 H new ATOM 0 HB2 ALA A 80 80.500 -20.512 -7.443 1.00 1.00 H new ATOM 0 HB3 ALA A 80 79.598 -20.679 -8.969 1.00 1.00 H new ATOM 1208 N GLU A 81 80.049 -18.090 -11.031 1.00 1.00 N ATOM 1209 CA GLU A 81 80.130 -17.823 -12.448 1.00 1.00 C ATOM 1210 C GLU A 81 80.990 -16.599 -12.682 1.00 1.00 C ATOM 1211 O GLU A 81 82.082 -16.705 -13.243 1.00 1.00 O ATOM 1212 CB GLU A 81 78.731 -17.567 -13.005 1.00 1.00 C ATOM 1213 CG GLU A 81 78.825 -17.155 -14.477 1.00 1.00 C ATOM 1214 CD GLU A 81 77.429 -17.071 -15.074 1.00 1.00 C ATOM 1215 OE1 GLU A 81 76.695 -18.037 -14.950 1.00 1.00 O ATOM 1216 OE2 GLU A 81 77.115 -16.041 -15.644 1.00 1.00 O ATOM 0 H GLU A 81 79.198 -17.747 -10.586 1.00 1.00 H new ATOM 0 HA GLU A 81 80.570 -18.684 -12.951 1.00 1.00 H new ATOM 0 HB2 GLU A 81 78.121 -18.465 -12.908 1.00 1.00 H new ATOM 0 HB3 GLU A 81 78.238 -16.783 -12.429 1.00 1.00 H new ATOM 0 HG2 GLU A 81 79.327 -16.191 -14.564 1.00 1.00 H new ATOM 0 HG3 GLU A 81 79.425 -17.878 -15.030 1.00 1.00 H new ATOM 1223 N ASP A 82 80.512 -15.419 -12.267 1.00 1.00 N ATOM 1224 CA ASP A 82 81.300 -14.226 -12.484 1.00 1.00 C ATOM 1225 C ASP A 82 82.626 -14.381 -11.791 1.00 1.00 C ATOM 1226 O ASP A 82 83.644 -14.338 -12.459 1.00 1.00 O ATOM 1227 CB ASP A 82 80.574 -12.986 -11.955 1.00 1.00 C ATOM 1228 CG ASP A 82 79.304 -12.742 -12.767 1.00 1.00 C ATOM 1229 OD1 ASP A 82 79.238 -13.221 -13.888 1.00 1.00 O ATOM 1230 OD2 ASP A 82 78.413 -12.087 -12.254 1.00 1.00 O ATOM 0 H ASP A 82 79.617 -15.278 -11.798 1.00 1.00 H new ATOM 0 HA ASP A 82 81.454 -14.094 -13.555 1.00 1.00 H new ATOM 0 HB2 ASP A 82 80.323 -13.122 -10.903 1.00 1.00 H new ATOM 0 HB3 ASP A 82 81.228 -12.117 -12.017 1.00 1.00 H new ATOM 1235 N ALA A 83 82.588 -14.557 -10.450 1.00 1.00 N ATOM 1236 CA ALA A 83 83.814 -14.723 -9.631 1.00 1.00 C ATOM 1237 C ALA A 83 85.040 -14.128 -10.333 1.00 1.00 C ATOM 1238 O ALA A 83 85.601 -13.139 -9.863 1.00 1.00 O ATOM 1239 CB ALA A 83 84.045 -16.216 -9.293 1.00 1.00 C ATOM 0 H ALA A 83 81.723 -14.588 -9.911 1.00 1.00 H new ATOM 0 HA ALA A 83 83.670 -14.176 -8.699 1.00 1.00 H new ATOM 0 HB1 ALA A 83 84.949 -16.317 -8.692 1.00 1.00 H new ATOM 0 HB2 ALA A 83 83.192 -16.598 -8.733 1.00 1.00 H new ATOM 0 HB3 ALA A 83 84.157 -16.785 -10.216 1.00 1.00 H new ATOM 1245 N LEU A 84 85.473 -14.741 -11.443 1.00 1.00 N ATOM 1246 CA LEU A 84 86.662 -14.305 -12.205 1.00 1.00 C ATOM 1247 C LEU A 84 86.915 -12.812 -12.091 1.00 1.00 C ATOM 1248 O LEU A 84 88.052 -12.396 -11.847 1.00 1.00 O ATOM 1249 CB LEU A 84 86.380 -14.660 -13.682 1.00 1.00 C ATOM 1250 CG LEU A 84 87.623 -14.452 -14.602 1.00 1.00 C ATOM 1251 CD1 LEU A 84 87.771 -15.649 -15.554 1.00 1.00 C ATOM 1252 CD2 LEU A 84 87.460 -13.186 -15.466 1.00 1.00 C ATOM 0 H LEU A 84 85.010 -15.557 -11.843 1.00 1.00 H new ATOM 0 HA LEU A 84 87.549 -14.801 -11.810 1.00 1.00 H new ATOM 0 HB2 LEU A 84 86.056 -15.699 -13.746 1.00 1.00 H new ATOM 0 HB3 LEU A 84 85.556 -14.047 -14.047 1.00 1.00 H new ATOM 0 HG LEU A 84 88.499 -14.353 -13.960 1.00 1.00 H new ATOM 0 HD11 LEU A 84 88.640 -15.499 -16.194 1.00 1.00 H new ATOM 0 HD12 LEU A 84 87.901 -16.562 -14.973 1.00 1.00 H new ATOM 0 HD13 LEU A 84 86.877 -15.736 -16.171 1.00 1.00 H new ATOM 0 HD21 LEU A 84 88.339 -13.062 -16.099 1.00 1.00 H new ATOM 0 HD22 LEU A 84 86.573 -13.284 -16.092 1.00 1.00 H new ATOM 0 HD23 LEU A 84 87.353 -12.315 -14.819 1.00 1.00 H new ATOM 1264 N ILE A 85 85.886 -12.003 -12.227 1.00 1.00 N ATOM 1265 CA ILE A 85 86.057 -10.567 -12.087 1.00 1.00 C ATOM 1266 C ILE A 85 85.820 -10.168 -10.633 1.00 1.00 C ATOM 1267 O ILE A 85 86.475 -9.264 -10.111 1.00 1.00 O ATOM 1268 CB ILE A 85 85.058 -9.836 -12.993 1.00 1.00 C ATOM 1269 CG1 ILE A 85 83.722 -10.595 -12.982 1.00 1.00 C ATOM 1270 CG2 ILE A 85 85.592 -9.767 -14.429 1.00 1.00 C ATOM 1271 CD1 ILE A 85 82.611 -9.676 -13.489 1.00 1.00 C ATOM 0 H ILE A 85 84.934 -12.306 -12.431 1.00 1.00 H new ATOM 0 HA ILE A 85 87.071 -10.292 -12.378 1.00 1.00 H new ATOM 0 HB ILE A 85 84.915 -8.821 -12.622 1.00 1.00 H new ATOM 0 HG12 ILE A 85 83.790 -11.482 -13.611 1.00 1.00 H new ATOM 0 HG13 ILE A 85 83.494 -10.937 -11.972 1.00 1.00 H new ATOM 0 HG21 ILE A 85 84.872 -9.246 -15.060 1.00 1.00 H new ATOM 0 HG22 ILE A 85 86.540 -9.229 -14.439 1.00 1.00 H new ATOM 0 HG23 ILE A 85 85.744 -10.777 -14.810 1.00 1.00 H new ATOM 0 HD11 ILE A 85 81.663 -10.213 -13.482 1.00 1.00 H new ATOM 0 HD12 ILE A 85 82.538 -8.802 -12.842 1.00 1.00 H new ATOM 0 HD13 ILE A 85 82.839 -9.356 -14.506 1.00 1.00 H new ATOM 1283 N ALA A 86 84.862 -10.836 -9.981 1.00 1.00 N ATOM 1284 CA ALA A 86 84.545 -10.508 -8.600 1.00 1.00 C ATOM 1285 C ALA A 86 85.825 -10.493 -7.755 1.00 1.00 C ATOM 1286 O ALA A 86 86.134 -9.504 -7.094 1.00 1.00 O ATOM 1287 CB ALA A 86 83.525 -11.505 -8.019 1.00 1.00 C ATOM 0 H ALA A 86 84.306 -11.591 -10.383 1.00 1.00 H new ATOM 0 HA ALA A 86 84.096 -9.515 -8.575 1.00 1.00 H new ATOM 0 HB1 ALA A 86 83.304 -11.239 -6.985 1.00 1.00 H new ATOM 0 HB2 ALA A 86 82.608 -11.471 -8.607 1.00 1.00 H new ATOM 0 HB3 ALA A 86 83.941 -12.512 -8.053 1.00 1.00 H new ATOM 1293 N GLU A 87 86.560 -11.597 -7.768 1.00 1.00 N ATOM 1294 CA GLU A 87 87.788 -11.682 -6.986 1.00 1.00 C ATOM 1295 C GLU A 87 88.797 -10.631 -7.450 1.00 1.00 C ATOM 1296 O GLU A 87 89.934 -10.605 -6.982 1.00 1.00 O ATOM 1297 CB GLU A 87 88.381 -13.089 -7.098 1.00 1.00 C ATOM 1298 CG GLU A 87 87.260 -14.107 -6.860 1.00 1.00 C ATOM 1299 CD GLU A 87 87.835 -15.511 -6.714 1.00 1.00 C ATOM 1300 OE1 GLU A 87 88.987 -15.624 -6.329 1.00 1.00 O ATOM 1301 OE2 GLU A 87 87.114 -16.454 -6.997 1.00 1.00 O ATOM 0 H GLU A 87 86.333 -12.435 -8.303 1.00 1.00 H new ATOM 0 HA GLU A 87 87.553 -11.483 -5.940 1.00 1.00 H new ATOM 0 HB2 GLU A 87 88.824 -13.236 -8.083 1.00 1.00 H new ATOM 0 HB3 GLU A 87 89.178 -13.224 -6.366 1.00 1.00 H new ATOM 0 HG2 GLU A 87 86.704 -13.840 -5.961 1.00 1.00 H new ATOM 0 HG3 GLU A 87 86.555 -14.081 -7.691 1.00 1.00 H new ATOM 1308 N ALA A 88 88.369 -9.762 -8.372 1.00 1.00 N ATOM 1309 CA ALA A 88 89.238 -8.703 -8.889 1.00 1.00 C ATOM 1310 C ALA A 88 88.831 -7.342 -8.308 1.00 1.00 C ATOM 1311 O ALA A 88 89.646 -6.415 -8.233 1.00 1.00 O ATOM 1312 CB ALA A 88 89.152 -8.660 -10.429 1.00 1.00 C ATOM 0 H ALA A 88 87.431 -9.772 -8.773 1.00 1.00 H new ATOM 0 HA ALA A 88 90.264 -8.918 -8.590 1.00 1.00 H new ATOM 0 HB1 ALA A 88 89.801 -7.870 -10.808 1.00 1.00 H new ATOM 0 HB2 ALA A 88 89.471 -9.619 -10.838 1.00 1.00 H new ATOM 0 HB3 ALA A 88 88.124 -8.461 -10.731 1.00 1.00 H new ATOM 1318 N VAL A 89 87.564 -7.238 -7.891 1.00 1.00 N ATOM 1319 CA VAL A 89 87.065 -5.994 -7.305 1.00 1.00 C ATOM 1320 C VAL A 89 87.313 -5.999 -5.792 1.00 1.00 C ATOM 1321 O VAL A 89 87.096 -4.992 -5.109 1.00 1.00 O ATOM 1322 CB VAL A 89 85.583 -5.793 -7.637 1.00 1.00 C ATOM 1323 CG1 VAL A 89 85.437 -5.410 -9.118 1.00 1.00 C ATOM 1324 CG2 VAL A 89 84.834 -7.091 -7.414 1.00 1.00 C ATOM 0 H VAL A 89 86.876 -7.989 -7.948 1.00 1.00 H new ATOM 0 HA VAL A 89 87.607 -5.152 -7.736 1.00 1.00 H new ATOM 0 HB VAL A 89 85.181 -5.007 -6.998 1.00 1.00 H new ATOM 0 HG11 VAL A 89 84.383 -5.267 -9.355 1.00 1.00 H new ATOM 0 HG12 VAL A 89 85.981 -4.485 -9.310 1.00 1.00 H new ATOM 0 HG13 VAL A 89 85.844 -6.206 -9.742 1.00 1.00 H new ATOM 0 HG21 VAL A 89 83.780 -6.948 -7.650 1.00 1.00 H new ATOM 0 HG22 VAL A 89 85.248 -7.866 -8.059 1.00 1.00 H new ATOM 0 HG23 VAL A 89 84.934 -7.395 -6.372 1.00 1.00 H new ATOM 1334 N GLY A 90 87.744 -7.156 -5.271 1.00 1.00 N ATOM 1335 CA GLY A 90 87.977 -7.305 -3.831 1.00 1.00 C ATOM 1336 C GLY A 90 88.650 -6.061 -3.235 1.00 1.00 C ATOM 1337 O GLY A 90 88.159 -5.524 -2.243 1.00 1.00 O ATOM 0 H GLY A 90 87.936 -7.994 -5.820 1.00 1.00 H new ATOM 0 HA2 GLY A 90 87.028 -7.483 -3.325 1.00 1.00 H new ATOM 0 HA3 GLY A 90 88.603 -8.179 -3.652 1.00 1.00 H new ATOM 1341 N PRO A 91 89.729 -5.550 -3.810 1.00 1.00 N ATOM 1342 CA PRO A 91 90.376 -4.310 -3.281 1.00 1.00 C ATOM 1343 C PRO A 91 89.356 -3.225 -2.960 1.00 1.00 C ATOM 1344 O PRO A 91 89.604 -2.354 -2.127 1.00 1.00 O ATOM 1345 CB PRO A 91 91.282 -3.860 -4.430 1.00 1.00 C ATOM 1346 CG PRO A 91 91.650 -5.118 -5.149 1.00 1.00 C ATOM 1347 CD PRO A 91 90.467 -6.090 -4.976 1.00 1.00 C ATOM 0 HA PRO A 91 90.909 -4.495 -2.348 1.00 1.00 H new ATOM 0 HB2 PRO A 91 90.765 -3.165 -5.091 1.00 1.00 H new ATOM 0 HB3 PRO A 91 92.167 -3.346 -4.056 1.00 1.00 H new ATOM 0 HG2 PRO A 91 91.837 -4.920 -6.204 1.00 1.00 H new ATOM 0 HG3 PRO A 91 92.565 -5.545 -4.738 1.00 1.00 H new ATOM 0 HD2 PRO A 91 89.840 -6.119 -5.867 1.00 1.00 H new ATOM 0 HD3 PRO A 91 90.810 -7.109 -4.795 1.00 1.00 H new ATOM 1355 N HIS A 92 88.232 -3.247 -3.665 1.00 1.00 N ATOM 1356 CA HIS A 92 87.230 -2.215 -3.456 1.00 1.00 C ATOM 1357 C HIS A 92 86.853 -2.221 -1.974 1.00 1.00 C ATOM 1358 O HIS A 92 86.566 -1.178 -1.410 1.00 1.00 O ATOM 1359 CB HIS A 92 85.998 -2.452 -4.350 1.00 1.00 C ATOM 1360 CG HIS A 92 85.179 -1.183 -4.477 1.00 1.00 C ATOM 1361 ND1 HIS A 92 84.071 -0.942 -3.688 1.00 1.00 N ATOM 1362 CD2 HIS A 92 85.253 -0.111 -5.337 1.00 1.00 C ATOM 1363 CE1 HIS A 92 83.518 0.216 -4.084 1.00 1.00 C ATOM 1364 NE2 HIS A 92 84.199 0.768 -5.086 1.00 1.00 N ATOM 0 H HIS A 92 87.996 -3.948 -4.367 1.00 1.00 H new ATOM 0 HA HIS A 92 87.631 -1.240 -3.731 1.00 1.00 H new ATOM 0 HB2 HIS A 92 86.317 -2.786 -5.337 1.00 1.00 H new ATOM 0 HB3 HIS A 92 85.383 -3.247 -3.928 1.00 1.00 H new ATOM 0 HD2 HIS A 92 86.012 0.029 -6.092 1.00 1.00 H new ATOM 0 HE1 HIS A 92 82.631 0.646 -3.644 1.00 1.00 H new ATOM 0 HE2 HIS A 92 83.994 1.644 -5.566 1.00 1.00 H new ATOM 1372 N LEU A 93 86.856 -3.399 -1.337 1.00 1.00 N ATOM 1373 CA LEU A 93 86.499 -3.475 0.090 1.00 1.00 C ATOM 1374 C LEU A 93 87.154 -2.317 0.845 1.00 1.00 C ATOM 1375 O LEU A 93 86.474 -1.569 1.553 1.00 1.00 O ATOM 1376 CB LEU A 93 86.941 -4.857 0.697 1.00 1.00 C ATOM 1377 CG LEU A 93 88.297 -4.796 1.487 1.00 1.00 C ATOM 1378 CD1 LEU A 93 88.438 -6.049 2.347 1.00 1.00 C ATOM 1379 CD2 LEU A 93 89.500 -4.711 0.511 1.00 1.00 C ATOM 0 H LEU A 93 87.094 -4.291 -1.770 1.00 1.00 H new ATOM 0 HA LEU A 93 85.417 -3.395 0.192 1.00 1.00 H new ATOM 0 HB2 LEU A 93 86.158 -5.218 1.364 1.00 1.00 H new ATOM 0 HB3 LEU A 93 87.033 -5.585 -0.109 1.00 1.00 H new ATOM 0 HG LEU A 93 88.292 -3.906 2.116 1.00 1.00 H new ATOM 0 HD11 LEU A 93 89.379 -6.009 2.896 1.00 1.00 H new ATOM 0 HD12 LEU A 93 87.608 -6.102 3.052 1.00 1.00 H new ATOM 0 HD13 LEU A 93 88.428 -6.932 1.708 1.00 1.00 H new ATOM 0 HD21 LEU A 93 90.428 -4.670 1.081 1.00 1.00 H new ATOM 0 HD22 LEU A 93 89.508 -5.590 -0.134 1.00 1.00 H new ATOM 0 HD23 LEU A 93 89.409 -3.813 -0.101 1.00 1.00 H new ATOM 1391 N ALA A 94 88.460 -2.158 0.674 1.00 1.00 N ATOM 1392 CA ALA A 94 89.155 -1.071 1.333 1.00 1.00 C ATOM 1393 C ALA A 94 88.479 0.226 0.936 1.00 1.00 C ATOM 1394 O ALA A 94 88.035 1.001 1.780 1.00 1.00 O ATOM 1395 CB ALA A 94 90.615 -1.053 0.903 1.00 1.00 C ATOM 0 H ALA A 94 89.047 -2.758 0.095 1.00 1.00 H new ATOM 0 HA ALA A 94 89.119 -1.198 2.415 1.00 1.00 H new ATOM 0 HB1 ALA A 94 91.131 -0.233 1.402 1.00 1.00 H new ATOM 0 HB2 ALA A 94 91.086 -1.998 1.175 1.00 1.00 H new ATOM 0 HB3 ALA A 94 90.675 -0.915 -0.177 1.00 1.00 H new ATOM 1401 N ARG A 95 88.362 0.433 -0.372 1.00 1.00 N ATOM 1402 CA ARG A 95 87.684 1.619 -0.875 1.00 1.00 C ATOM 1403 C ARG A 95 86.326 1.692 -0.173 1.00 1.00 C ATOM 1404 O ARG A 95 85.981 2.641 0.549 1.00 1.00 O ATOM 1405 CB ARG A 95 87.492 1.510 -2.407 1.00 1.00 C ATOM 1406 CG ARG A 95 87.026 2.872 -3.013 1.00 1.00 C ATOM 1407 CD ARG A 95 88.015 3.379 -4.090 1.00 1.00 C ATOM 1408 NE ARG A 95 87.735 2.766 -5.394 1.00 1.00 N ATOM 1409 CZ ARG A 95 88.022 3.400 -6.539 1.00 1.00 C ATOM 1410 NH1 ARG A 95 88.586 4.578 -6.516 1.00 1.00 N ATOM 1411 NH2 ARG A 95 87.739 2.843 -7.688 1.00 1.00 N ATOM 0 H ARG A 95 88.722 -0.194 -1.091 1.00 1.00 H new ATOM 0 HA ARG A 95 88.269 2.517 -0.676 1.00 1.00 H new ATOM 0 HB2 ARG A 95 88.428 1.202 -2.873 1.00 1.00 H new ATOM 0 HB3 ARG A 95 86.756 0.738 -2.630 1.00 1.00 H new ATOM 0 HG2 ARG A 95 86.035 2.756 -3.452 1.00 1.00 H new ATOM 0 HG3 ARG A 95 86.938 3.614 -2.219 1.00 1.00 H new ATOM 0 HD2 ARG A 95 87.944 4.464 -4.172 1.00 1.00 H new ATOM 0 HD3 ARG A 95 89.037 3.148 -3.788 1.00 1.00 H new ATOM 0 HE ARG A 95 87.313 1.838 -5.429 1.00 1.00 H new ATOM 0 HH11 ARG A 95 88.810 5.019 -5.624 1.00 1.00 H new ATOM 0 HH12 ARG A 95 88.803 5.057 -7.390 1.00 1.00 H new ATOM 0 HH21 ARG A 95 87.299 1.923 -7.714 1.00 1.00 H new ATOM 0 HH22 ARG A 95 87.959 3.328 -8.558 1.00 1.00 H new ATOM 1425 N ALA A 96 85.509 0.678 -0.313 1.00 1.00 N ATOM 1426 CA ALA A 96 84.233 0.712 0.324 1.00 1.00 C ATOM 1427 C ALA A 96 84.368 1.100 1.789 1.00 1.00 C ATOM 1428 O ALA A 96 83.361 1.202 2.482 1.00 1.00 O ATOM 1429 CB ALA A 96 83.475 -0.580 0.036 1.00 1.00 C ATOM 0 H ALA A 96 85.707 -0.164 -0.854 1.00 1.00 H new ATOM 0 HA ALA A 96 83.610 1.501 -0.096 1.00 1.00 H new ATOM 0 HB1 ALA A 96 82.502 -0.548 0.525 1.00 1.00 H new ATOM 0 HB2 ALA A 96 83.337 -0.689 -1.040 1.00 1.00 H new ATOM 0 HB3 ALA A 96 84.044 -1.428 0.416 1.00 1.00 H new ATOM 1435 N LEU A 97 85.620 1.095 2.287 1.00 1.00 N ATOM 1436 CA LEU A 97 85.959 1.232 3.709 1.00 1.00 C ATOM 1437 C LEU A 97 84.741 1.268 4.602 1.00 1.00 C ATOM 1438 O LEU A 97 84.687 0.494 5.542 1.00 1.00 O ATOM 1439 CB LEU A 97 86.636 2.638 3.811 1.00 1.00 C ATOM 1440 CG LEU A 97 87.971 2.608 4.556 1.00 1.00 C ATOM 1441 CD1 LEU A 97 88.722 3.902 4.242 1.00 1.00 C ATOM 1442 CD2 LEU A 97 87.712 2.529 6.060 1.00 1.00 C ATOM 0 H LEU A 97 86.442 0.993 1.692 1.00 1.00 H new ATOM 0 HA LEU A 97 86.573 0.389 4.026 1.00 1.00 H new ATOM 0 HB2 LEU A 97 86.796 3.031 2.807 1.00 1.00 H new ATOM 0 HB3 LEU A 97 85.959 3.325 4.319 1.00 1.00 H new ATOM 0 HG LEU A 97 88.557 1.743 4.246 1.00 1.00 H new ATOM 0 HD11 LEU A 97 89.679 3.903 4.764 1.00 1.00 H new ATOM 0 HD12 LEU A 97 88.894 3.971 3.168 1.00 1.00 H new ATOM 0 HD13 LEU A 97 88.129 4.756 4.570 1.00 1.00 H new ATOM 0 HD21 LEU A 97 88.663 2.508 6.592 1.00 1.00 H new ATOM 0 HD22 LEU A 97 87.138 3.400 6.377 1.00 1.00 H new ATOM 0 HD23 LEU A 97 87.150 1.623 6.285 1.00 1.00 H new ATOM 1454 N GLY A 98 83.748 2.054 4.351 1.00 1.00 N ATOM 1455 CA GLY A 98 82.573 1.976 5.155 1.00 1.00 C ATOM 1456 C GLY A 98 82.110 0.530 5.162 1.00 1.00 C ATOM 1457 O GLY A 98 81.430 0.103 6.081 1.00 1.00 O ATOM 0 H GLY A 98 83.724 2.750 3.606 1.00 1.00 H new ATOM 0 HA2 GLY A 98 82.781 2.315 6.170 1.00 1.00 H new ATOM 0 HA3 GLY A 98 81.793 2.625 4.756 1.00 1.00 H new ATOM 1461 N GLN A 99 82.505 -0.268 4.149 1.00 1.00 N ATOM 1462 CA GLN A 99 82.088 -1.659 4.217 1.00 1.00 C ATOM 1463 C GLN A 99 82.882 -2.305 5.313 1.00 1.00 C ATOM 1464 O GLN A 99 82.441 -3.285 5.881 1.00 1.00 O ATOM 1465 CB GLN A 99 82.321 -2.428 2.929 1.00 1.00 C ATOM 1466 CG GLN A 99 81.358 -1.923 1.856 1.00 1.00 C ATOM 1467 CD GLN A 99 79.954 -2.395 2.176 1.00 1.00 C ATOM 1468 OE1 GLN A 99 79.238 -1.755 2.944 1.00 1.00 O ATOM 1469 NE2 GLN A 99 79.519 -3.497 1.634 1.00 1.00 N ATOM 0 H GLN A 99 83.066 0.006 3.342 1.00 1.00 H new ATOM 0 HA GLN A 99 81.014 -1.681 4.399 1.00 1.00 H new ATOM 0 HB2 GLN A 99 83.352 -2.301 2.598 1.00 1.00 H new ATOM 0 HB3 GLN A 99 82.170 -3.494 3.097 1.00 1.00 H new ATOM 0 HG2 GLN A 99 81.386 -0.834 1.810 1.00 1.00 H new ATOM 0 HG3 GLN A 99 81.663 -2.291 0.876 1.00 1.00 H new ATOM 0 HE21 GLN A 99 80.118 -4.023 0.998 1.00 1.00 H new ATOM 0 HE22 GLN A 99 78.580 -3.833 1.846 1.00 1.00 H new ATOM 1478 N ILE A 100 84.038 -1.700 5.618 1.00 1.00 N ATOM 1479 CA ILE A 100 84.919 -2.205 6.697 1.00 1.00 C ATOM 1480 C ILE A 100 84.214 -2.049 8.045 1.00 1.00 C ATOM 1481 O ILE A 100 84.406 -2.847 8.964 1.00 1.00 O ATOM 1482 CB ILE A 100 86.301 -1.479 6.703 1.00 1.00 C ATOM 1483 CG1 ILE A 100 87.417 -2.482 7.033 1.00 1.00 C ATOM 1484 CG2 ILE A 100 86.340 -0.384 7.779 1.00 1.00 C ATOM 1485 CD1 ILE A 100 88.770 -1.781 6.958 1.00 1.00 C ATOM 0 H ILE A 100 84.388 -0.868 5.142 1.00 1.00 H new ATOM 0 HA ILE A 100 85.117 -3.261 6.514 1.00 1.00 H new ATOM 0 HB ILE A 100 86.446 -1.040 5.716 1.00 1.00 H new ATOM 0 HG12 ILE A 100 87.265 -2.896 8.030 1.00 1.00 H new ATOM 0 HG13 ILE A 100 87.389 -3.317 6.333 1.00 1.00 H new ATOM 0 HG21 ILE A 100 87.313 0.107 7.763 1.00 1.00 H new ATOM 0 HG22 ILE A 100 85.560 0.350 7.579 1.00 1.00 H new ATOM 0 HG23 ILE A 100 86.175 -0.831 8.759 1.00 1.00 H new ATOM 0 HD11 ILE A 100 89.562 -2.492 7.192 1.00 1.00 H new ATOM 0 HD12 ILE A 100 88.921 -1.388 5.953 1.00 1.00 H new ATOM 0 HD13 ILE A 100 88.795 -0.961 7.676 1.00 1.00 H new ATOM 1497 N VAL A 101 83.437 -0.983 8.185 1.00 1.00 N ATOM 1498 CA VAL A 101 82.753 -0.750 9.449 1.00 1.00 C ATOM 1499 C VAL A 101 81.890 -1.979 9.718 1.00 1.00 C ATOM 1500 O VAL A 101 82.039 -2.663 10.732 1.00 1.00 O ATOM 1501 CB VAL A 101 81.930 0.586 9.407 1.00 1.00 C ATOM 1502 CG1 VAL A 101 80.477 0.367 8.935 1.00 1.00 C ATOM 1503 CG2 VAL A 101 81.909 1.220 10.816 1.00 1.00 C ATOM 0 H VAL A 101 83.268 -0.284 7.462 1.00 1.00 H new ATOM 0 HA VAL A 101 83.460 -0.619 10.268 1.00 1.00 H new ATOM 0 HB VAL A 101 82.418 1.246 8.690 1.00 1.00 H new ATOM 0 HG11 VAL A 101 79.950 1.321 8.924 1.00 1.00 H new ATOM 0 HG12 VAL A 101 80.481 -0.058 7.931 1.00 1.00 H new ATOM 0 HG13 VAL A 101 79.972 -0.318 9.617 1.00 1.00 H new ATOM 0 HG21 VAL A 101 81.338 2.148 10.789 1.00 1.00 H new ATOM 0 HG22 VAL A 101 81.445 0.529 11.519 1.00 1.00 H new ATOM 0 HG23 VAL A 101 82.930 1.431 11.135 1.00 1.00 H new ATOM 1513 N CYS A 102 81.007 -2.260 8.783 1.00 1.00 N ATOM 1514 CA CYS A 102 80.133 -3.402 8.880 1.00 1.00 C ATOM 1515 C CYS A 102 80.945 -4.660 9.232 1.00 1.00 C ATOM 1516 O CYS A 102 80.431 -5.547 9.910 1.00 1.00 O ATOM 1517 CB CYS A 102 79.405 -3.554 7.516 1.00 1.00 C ATOM 1518 SG CYS A 102 80.034 -4.974 6.580 1.00 1.00 S ATOM 0 H CYS A 102 80.878 -1.703 7.938 1.00 1.00 H new ATOM 0 HA CYS A 102 79.397 -3.266 9.672 1.00 1.00 H new ATOM 0 HB2 CYS A 102 78.335 -3.674 7.685 1.00 1.00 H new ATOM 0 HB3 CYS A 102 79.535 -2.644 6.930 1.00 1.00 H new ATOM 1523 N ARG A 103 82.230 -4.679 8.811 1.00 1.00 N ATOM 1524 CA ARG A 103 83.111 -5.828 9.110 1.00 1.00 C ATOM 1525 C ARG A 103 83.489 -5.826 10.578 1.00 1.00 C ATOM 1526 O ARG A 103 83.200 -6.791 11.299 1.00 1.00 O ATOM 1527 CB ARG A 103 84.370 -5.843 8.225 1.00 1.00 C ATOM 1528 CG ARG A 103 83.928 -5.694 6.772 1.00 1.00 C ATOM 1529 CD ARG A 103 85.105 -5.876 5.796 1.00 1.00 C ATOM 1530 NE ARG A 103 84.737 -5.367 4.466 1.00 1.00 N ATOM 1531 CZ ARG A 103 84.180 -6.147 3.532 1.00 1.00 C ATOM 1532 NH1 ARG A 103 83.913 -7.398 3.785 1.00 1.00 N ATOM 1533 NH2 ARG A 103 83.894 -5.649 2.357 1.00 1.00 N ATOM 0 H ARG A 103 82.671 -3.931 8.276 1.00 1.00 H new ATOM 0 HA ARG A 103 82.553 -6.737 8.884 1.00 1.00 H new ATOM 0 HB2 ARG A 103 85.041 -5.031 8.504 1.00 1.00 H new ATOM 0 HB3 ARG A 103 84.921 -6.773 8.362 1.00 1.00 H new ATOM 0 HG2 ARG A 103 83.154 -6.429 6.550 1.00 1.00 H new ATOM 0 HG3 ARG A 103 83.483 -4.710 6.626 1.00 1.00 H new ATOM 0 HD2 ARG A 103 85.982 -5.346 6.168 1.00 1.00 H new ATOM 0 HD3 ARG A 103 85.374 -6.930 5.730 1.00 1.00 H new ATOM 0 HE ARG A 103 84.912 -4.386 4.248 1.00 1.00 H new ATOM 0 HH11 ARG A 103 84.129 -7.790 4.702 1.00 1.00 H new ATOM 0 HH12 ARG A 103 83.488 -7.984 3.066 1.00 1.00 H new ATOM 0 HH21 ARG A 103 84.096 -4.670 2.155 1.00 1.00 H new ATOM 0 HH22 ARG A 103 83.469 -6.240 1.642 1.00 1.00 H new ATOM 1547 N TYR A 104 84.082 -4.726 11.055 1.00 1.00 N ATOM 1548 CA TYR A 104 84.467 -4.510 12.437 1.00 1.00 C ATOM 1549 C TYR A 104 83.325 -3.862 13.150 1.00 1.00 C ATOM 1550 O TYR A 104 83.535 -3.286 14.206 1.00 1.00 O ATOM 1551 CB TYR A 104 85.712 -3.562 12.555 1.00 1.00 C ATOM 1552 CG TYR A 104 85.432 -2.006 12.368 1.00 1.00 C ATOM 1553 CD1 TYR A 104 84.505 -1.238 13.161 1.00 1.00 C ATOM 1554 CD2 TYR A 104 86.165 -1.307 11.394 1.00 1.00 C ATOM 1555 CE1 TYR A 104 84.338 0.139 12.965 1.00 1.00 C ATOM 1556 CE2 TYR A 104 85.984 0.091 11.212 1.00 1.00 C ATOM 1557 CZ TYR A 104 85.073 0.804 11.998 1.00 1.00 C ATOM 1558 OH TYR A 104 84.902 2.173 11.819 1.00 1.00 O ATOM 0 H TYR A 104 84.313 -3.934 10.456 1.00 1.00 H new ATOM 0 HA TYR A 104 84.724 -5.476 12.872 1.00 1.00 H new ATOM 0 HB2 TYR A 104 86.166 -3.713 13.535 1.00 1.00 H new ATOM 0 HB3 TYR A 104 86.448 -3.869 11.812 1.00 1.00 H new ATOM 0 HD1 TYR A 104 83.926 -1.736 13.924 1.00 1.00 H new ATOM 0 HD2 TYR A 104 86.874 -1.838 10.776 1.00 1.00 H new ATOM 0 HE1 TYR A 104 83.631 0.686 13.572 1.00 1.00 H new ATOM 0 HE2 TYR A 104 86.557 0.609 10.457 1.00 1.00 H new ATOM 0 HH TYR A 104 85.493 2.486 11.102 1.00 1.00 H new ATOM 1568 N GLY A 105 82.091 -4.037 12.714 1.00 1.00 N ATOM 1569 CA GLY A 105 81.001 -3.455 13.460 1.00 1.00 C ATOM 1570 C GLY A 105 79.734 -4.220 13.194 1.00 1.00 C ATOM 1571 O GLY A 105 79.440 -5.190 13.888 1.00 1.00 O ATOM 0 H GLY A 105 81.828 -4.558 11.878 1.00 1.00 H new ATOM 0 HA2 GLY A 105 81.229 -3.471 14.526 1.00 1.00 H new ATOM 0 HA3 GLY A 105 80.872 -2.410 13.177 1.00 1.00 H new ATOM 1575 N ALA A 106 78.981 -3.792 12.189 1.00 1.00 N ATOM 1576 CA ALA A 106 77.737 -4.465 11.877 1.00 1.00 C ATOM 1577 C ALA A 106 76.821 -4.434 13.128 1.00 1.00 C ATOM 1578 O ALA A 106 77.136 -5.062 14.141 1.00 1.00 O ATOM 1579 CB ALA A 106 78.065 -5.915 11.443 1.00 1.00 C ATOM 0 H ALA A 106 79.207 -2.998 11.590 1.00 1.00 H new ATOM 0 HA ALA A 106 77.210 -3.969 11.062 1.00 1.00 H new ATOM 0 HB1 ALA A 106 77.141 -6.441 11.203 1.00 1.00 H new ATOM 0 HB2 ALA A 106 78.710 -5.895 10.564 1.00 1.00 H new ATOM 0 HB3 ALA A 106 78.576 -6.431 12.256 1.00 1.00 H new ATOM 1585 N THR A 107 75.670 -3.724 13.061 1.00 1.00 N ATOM 1586 CA THR A 107 74.717 -3.656 14.193 1.00 1.00 C ATOM 1587 C THR A 107 73.303 -3.861 13.651 1.00 1.00 C ATOM 1588 O THR A 107 72.567 -4.696 14.182 1.00 1.00 O ATOM 1589 CB THR A 107 74.803 -2.324 14.942 1.00 1.00 C ATOM 1590 OG1 THR A 107 76.167 -1.968 15.122 1.00 1.00 O ATOM 1591 CG2 THR A 107 74.130 -2.477 16.314 1.00 1.00 C ATOM 0 H THR A 107 75.380 -3.193 12.240 1.00 1.00 H new ATOM 0 HA THR A 107 74.973 -4.439 14.907 1.00 1.00 H new ATOM 0 HB THR A 107 74.300 -1.546 14.368 1.00 1.00 H new ATOM 0 HG1 THR A 107 76.222 -1.114 15.600 1.00 1.00 H new ATOM 0 HG21 THR A 107 74.187 -1.532 16.855 1.00 1.00 H new ATOM 0 HG22 THR A 107 73.085 -2.755 16.178 1.00 1.00 H new ATOM 0 HG23 THR A 107 74.640 -3.253 16.885 1.00 1.00 H new ATOM 1599 N VAL A 108 72.884 -3.056 12.654 1.00 1.00 N ATOM 1600 CA VAL A 108 71.536 -3.184 12.086 1.00 1.00 C ATOM 1601 C VAL A 108 71.462 -4.482 11.271 1.00 1.00 C ATOM 1602 O VAL A 108 70.479 -5.217 11.306 1.00 1.00 O ATOM 1603 CB VAL A 108 71.226 -1.972 11.208 1.00 1.00 C ATOM 1604 CG1 VAL A 108 71.083 -0.748 12.113 1.00 1.00 C ATOM 1605 CG2 VAL A 108 72.363 -1.737 10.201 1.00 1.00 C ATOM 0 H VAL A 108 73.454 -2.322 12.233 1.00 1.00 H new ATOM 0 HA VAL A 108 70.795 -3.222 12.885 1.00 1.00 H new ATOM 0 HB VAL A 108 70.304 -2.146 10.653 1.00 1.00 H new ATOM 0 HG11 VAL A 108 70.861 0.130 11.506 1.00 1.00 H new ATOM 0 HG12 VAL A 108 70.272 -0.913 12.822 1.00 1.00 H new ATOM 0 HG13 VAL A 108 72.014 -0.587 12.657 1.00 1.00 H new ATOM 0 HG21 VAL A 108 72.128 -0.871 9.583 1.00 1.00 H new ATOM 0 HG22 VAL A 108 73.294 -1.557 10.739 1.00 1.00 H new ATOM 0 HG23 VAL A 108 72.474 -2.616 9.566 1.00 1.00 H new ATOM 1615 N ILE A 109 72.518 -4.699 10.496 1.00 1.00 N ATOM 1616 CA ILE A 109 72.593 -5.881 9.615 1.00 1.00 C ATOM 1617 C ILE A 109 71.998 -7.119 10.339 1.00 1.00 C ATOM 1618 O ILE A 109 71.169 -7.819 9.764 1.00 1.00 O ATOM 1619 CB ILE A 109 74.046 -6.165 9.046 1.00 1.00 C ATOM 1620 CG1 ILE A 109 74.484 -7.638 9.317 1.00 1.00 C ATOM 1621 CG2 ILE A 109 75.116 -5.195 9.624 1.00 1.00 C ATOM 1622 CD1 ILE A 109 75.831 -7.922 8.660 1.00 1.00 C ATOM 0 H ILE A 109 73.331 -4.085 10.452 1.00 1.00 H new ATOM 0 HA ILE A 109 71.990 -5.661 8.734 1.00 1.00 H new ATOM 0 HB ILE A 109 73.984 -5.997 7.971 1.00 1.00 H new ATOM 0 HG12 ILE A 109 74.552 -7.812 10.391 1.00 1.00 H new ATOM 0 HG13 ILE A 109 73.731 -8.325 8.930 1.00 1.00 H new ATOM 0 HG21 ILE A 109 76.091 -5.435 9.200 1.00 1.00 H new ATOM 0 HG22 ILE A 109 74.852 -4.169 9.369 1.00 1.00 H new ATOM 0 HG23 ILE A 109 75.155 -5.301 10.708 1.00 1.00 H new ATOM 0 HD11 ILE A 109 76.122 -8.953 8.858 1.00 1.00 H new ATOM 0 HD12 ILE A 109 75.751 -7.768 7.584 1.00 1.00 H new ATOM 0 HD13 ILE A 109 76.584 -7.248 9.068 1.00 1.00 H new ATOM 1634 N PRO A 110 72.360 -7.363 11.579 1.00 1.00 N ATOM 1635 CA PRO A 110 71.826 -8.494 12.414 1.00 1.00 C ATOM 1636 C PRO A 110 70.316 -8.342 12.689 1.00 1.00 C ATOM 1637 O PRO A 110 69.616 -9.320 12.965 1.00 1.00 O ATOM 1638 CB PRO A 110 72.627 -8.395 13.732 1.00 1.00 C ATOM 1639 CG PRO A 110 73.811 -7.569 13.378 1.00 1.00 C ATOM 1640 CD PRO A 110 73.297 -6.597 12.343 1.00 1.00 C ATOM 0 HA PRO A 110 71.937 -9.456 11.914 1.00 1.00 H new ATOM 0 HB2 PRO A 110 72.038 -7.929 14.522 1.00 1.00 H new ATOM 0 HB3 PRO A 110 72.922 -9.380 14.094 1.00 1.00 H new ATOM 0 HG2 PRO A 110 74.207 -7.048 14.250 1.00 1.00 H new ATOM 0 HG3 PRO A 110 74.619 -8.183 12.980 1.00 1.00 H new ATOM 0 HD2 PRO A 110 72.821 -5.734 12.808 1.00 1.00 H new ATOM 0 HD3 PRO A 110 74.105 -6.217 11.718 1.00 1.00 H new ATOM 1648 N ASN A 111 69.832 -7.099 12.627 1.00 1.00 N ATOM 1649 CA ASN A 111 68.419 -6.817 12.889 1.00 1.00 C ATOM 1650 C ASN A 111 67.548 -7.533 11.853 1.00 1.00 C ATOM 1651 O ASN A 111 66.844 -8.498 12.171 1.00 1.00 O ATOM 1652 CB ASN A 111 68.203 -5.292 12.806 1.00 1.00 C ATOM 1653 CG ASN A 111 67.054 -4.845 13.704 1.00 1.00 C ATOM 1654 OD1 ASN A 111 66.065 -4.297 13.220 1.00 1.00 O ATOM 1655 ND2 ASN A 111 67.131 -5.038 14.993 1.00 1.00 N ATOM 0 H ASN A 111 70.393 -6.278 12.400 1.00 1.00 H new ATOM 0 HA ASN A 111 68.140 -7.175 13.880 1.00 1.00 H new ATOM 0 HB2 ASN A 111 69.118 -4.777 13.099 1.00 1.00 H new ATOM 0 HB3 ASN A 111 67.993 -5.008 11.775 1.00 1.00 H new ATOM 0 HD21 ASN A 111 66.370 -4.734 15.601 1.00 1.00 H new ATOM 0 HD22 ASN A 111 67.952 -5.493 15.392 1.00 1.00 H new ATOM 1662 N ILE A 112 67.618 -7.075 10.607 1.00 1.00 N ATOM 1663 CA ILE A 112 66.858 -7.687 9.522 1.00 1.00 C ATOM 1664 C ILE A 112 67.378 -9.078 9.243 1.00 1.00 C ATOM 1665 O ILE A 112 66.635 -9.991 8.894 1.00 1.00 O ATOM 1666 CB ILE A 112 66.990 -6.812 8.270 1.00 1.00 C ATOM 1667 CG1 ILE A 112 66.510 -7.590 6.992 1.00 1.00 C ATOM 1668 CG2 ILE A 112 68.442 -6.321 8.134 1.00 1.00 C ATOM 1669 CD1 ILE A 112 67.689 -8.160 6.175 1.00 1.00 C ATOM 0 H ILE A 112 68.193 -6.282 10.323 1.00 1.00 H new ATOM 0 HA ILE A 112 65.809 -7.764 9.806 1.00 1.00 H new ATOM 0 HB ILE A 112 66.345 -5.939 8.369 1.00 1.00 H new ATOM 0 HG12 ILE A 112 65.851 -8.405 7.292 1.00 1.00 H new ATOM 0 HG13 ILE A 112 65.924 -6.922 6.361 1.00 1.00 H new ATOM 0 HG21 ILE A 112 68.534 -5.699 7.243 1.00 1.00 H new ATOM 0 HG22 ILE A 112 68.713 -5.737 9.014 1.00 1.00 H new ATOM 0 HG23 ILE A 112 69.110 -7.178 8.048 1.00 1.00 H new ATOM 0 HD11 ILE A 112 67.305 -8.688 5.302 1.00 1.00 H new ATOM 0 HD12 ILE A 112 68.335 -7.344 5.850 1.00 1.00 H new ATOM 0 HD13 ILE A 112 68.261 -8.851 6.795 1.00 1.00 H new ATOM 1681 N ASN A 113 68.675 -9.209 9.364 1.00 1.00 N ATOM 1682 CA ASN A 113 69.309 -10.493 9.085 1.00 1.00 C ATOM 1683 C ASN A 113 68.520 -11.553 9.822 1.00 1.00 C ATOM 1684 O ASN A 113 68.050 -12.501 9.216 1.00 1.00 O ATOM 1685 CB ASN A 113 70.758 -10.511 9.542 1.00 1.00 C ATOM 1686 CG ASN A 113 71.330 -11.917 9.462 1.00 1.00 C ATOM 1687 OD1 ASN A 113 71.685 -12.377 8.380 1.00 1.00 O ATOM 1688 ND2 ASN A 113 71.439 -12.635 10.546 1.00 1.00 N ATOM 0 H ASN A 113 69.311 -8.464 9.648 1.00 1.00 H new ATOM 0 HA ASN A 113 69.312 -10.677 8.011 1.00 1.00 H new ATOM 0 HB2 ASN A 113 71.349 -9.837 8.921 1.00 1.00 H new ATOM 0 HB3 ASN A 113 70.826 -10.143 10.566 1.00 1.00 H new ATOM 0 HD21 ASN A 113 71.820 -13.580 10.496 1.00 1.00 H new ATOM 0 HD22 ASN A 113 71.144 -12.251 11.444 1.00 1.00 H new ATOM 1695 N ALA A 114 68.320 -11.345 11.119 1.00 1.00 N ATOM 1696 CA ALA A 114 67.530 -12.259 11.922 1.00 1.00 C ATOM 1697 C ALA A 114 66.089 -12.310 11.411 1.00 1.00 C ATOM 1698 O ALA A 114 65.401 -13.319 11.585 1.00 1.00 O ATOM 1699 CB ALA A 114 67.541 -11.804 13.382 1.00 1.00 C ATOM 0 H ALA A 114 68.697 -10.549 11.633 1.00 1.00 H new ATOM 0 HA ALA A 114 67.965 -13.256 11.847 1.00 1.00 H new ATOM 0 HB1 ALA A 114 66.947 -12.493 13.982 1.00 1.00 H new ATOM 0 HB2 ALA A 114 68.566 -11.792 13.752 1.00 1.00 H new ATOM 0 HB3 ALA A 114 67.118 -10.802 13.454 1.00 1.00 H new ATOM 1705 N ALA A 115 65.642 -11.244 10.740 1.00 1.00 N ATOM 1706 CA ALA A 115 64.288 -11.241 10.195 1.00 1.00 C ATOM 1707 C ALA A 115 64.214 -12.082 8.920 1.00 1.00 C ATOM 1708 O ALA A 115 63.433 -13.035 8.843 1.00 1.00 O ATOM 1709 CB ALA A 115 63.827 -9.813 9.884 1.00 1.00 C ATOM 0 H ALA A 115 66.182 -10.397 10.566 1.00 1.00 H new ATOM 0 HA ALA A 115 63.630 -11.673 10.949 1.00 1.00 H new ATOM 0 HB1 ALA A 115 62.815 -9.837 9.479 1.00 1.00 H new ATOM 0 HB2 ALA A 115 63.838 -9.220 10.798 1.00 1.00 H new ATOM 0 HB3 ALA A 115 64.500 -9.365 9.153 1.00 1.00 H new ATOM 1715 N ILE A 116 65.005 -11.725 7.900 1.00 1.00 N ATOM 1716 CA ILE A 116 64.968 -12.460 6.627 1.00 1.00 C ATOM 1717 C ILE A 116 65.500 -13.868 6.800 1.00 1.00 C ATOM 1718 O ILE A 116 64.910 -14.825 6.326 1.00 1.00 O ATOM 1719 CB ILE A 116 65.799 -11.725 5.558 1.00 1.00 C ATOM 1720 CG1 ILE A 116 65.649 -12.442 4.210 1.00 1.00 C ATOM 1721 CG2 ILE A 116 67.275 -11.710 5.957 1.00 1.00 C ATOM 1722 CD1 ILE A 116 66.471 -11.714 3.144 1.00 1.00 C ATOM 0 H ILE A 116 65.666 -10.948 7.927 1.00 1.00 H new ATOM 0 HA ILE A 116 63.929 -12.514 6.302 1.00 1.00 H new ATOM 0 HB ILE A 116 65.439 -10.700 5.474 1.00 1.00 H new ATOM 0 HG12 ILE A 116 65.984 -13.476 4.298 1.00 1.00 H new ATOM 0 HG13 ILE A 116 64.599 -12.470 3.917 1.00 1.00 H new ATOM 0 HG21 ILE A 116 67.853 -11.188 5.194 1.00 1.00 H new ATOM 0 HG22 ILE A 116 67.388 -11.197 6.912 1.00 1.00 H new ATOM 0 HG23 ILE A 116 67.637 -12.734 6.049 1.00 1.00 H new ATOM 0 HD11 ILE A 116 66.362 -12.226 2.188 1.00 1.00 H new ATOM 0 HD12 ILE A 116 66.116 -10.688 3.049 1.00 1.00 H new ATOM 0 HD13 ILE A 116 67.521 -11.709 3.435 1.00 1.00 H new ATOM 1734 N GLU A 117 66.670 -13.975 7.403 1.00 1.00 N ATOM 1735 CA GLU A 117 67.313 -15.280 7.579 1.00 1.00 C ATOM 1736 C GLU A 117 66.254 -16.271 8.004 1.00 1.00 C ATOM 1737 O GLU A 117 65.972 -17.250 7.290 1.00 1.00 O ATOM 1738 CB GLU A 117 68.426 -15.180 8.625 1.00 1.00 C ATOM 1739 CG GLU A 117 68.864 -16.564 9.101 1.00 1.00 C ATOM 1740 CD GLU A 117 70.206 -16.447 9.812 1.00 1.00 C ATOM 1741 OE1 GLU A 117 70.371 -15.504 10.570 1.00 1.00 O ATOM 1742 OE2 GLU A 117 71.057 -17.290 9.580 1.00 1.00 O ATOM 0 H GLU A 117 67.197 -13.186 7.779 1.00 1.00 H new ATOM 0 HA GLU A 117 67.769 -15.612 6.646 1.00 1.00 H new ATOM 0 HB2 GLU A 117 69.280 -14.651 8.202 1.00 1.00 H new ATOM 0 HB3 GLU A 117 68.078 -14.594 9.475 1.00 1.00 H new ATOM 0 HG2 GLU A 117 68.117 -16.983 9.775 1.00 1.00 H new ATOM 0 HG3 GLU A 117 68.946 -17.244 8.253 1.00 1.00 H new ATOM 1749 N VAL A 118 65.649 -15.967 9.149 1.00 1.00 N ATOM 1750 CA VAL A 118 64.582 -16.769 9.682 1.00 1.00 C ATOM 1751 C VAL A 118 63.522 -16.975 8.610 1.00 1.00 C ATOM 1752 O VAL A 118 62.778 -17.954 8.658 1.00 1.00 O ATOM 1753 CB VAL A 118 63.953 -16.032 10.883 1.00 1.00 C ATOM 1754 CG1 VAL A 118 62.568 -16.609 11.211 1.00 1.00 C ATOM 1755 CG2 VAL A 118 64.861 -16.169 12.110 1.00 1.00 C ATOM 0 H VAL A 118 65.892 -15.159 9.722 1.00 1.00 H new ATOM 0 HA VAL A 118 64.971 -17.736 10.001 1.00 1.00 H new ATOM 0 HB VAL A 118 63.843 -14.980 10.620 1.00 1.00 H new ATOM 0 HG11 VAL A 118 62.143 -16.075 12.061 1.00 1.00 H new ATOM 0 HG12 VAL A 118 61.913 -16.496 10.347 1.00 1.00 H new ATOM 0 HG13 VAL A 118 62.664 -17.666 11.458 1.00 1.00 H new ATOM 0 HG21 VAL A 118 64.412 -15.647 12.955 1.00 1.00 H new ATOM 0 HG22 VAL A 118 64.981 -17.224 12.358 1.00 1.00 H new ATOM 0 HG23 VAL A 118 65.836 -15.734 11.891 1.00 1.00 H new ATOM 1765 N LEU A 119 63.452 -16.076 7.614 1.00 1.00 N ATOM 1766 CA LEU A 119 62.470 -16.233 6.550 1.00 1.00 C ATOM 1767 C LEU A 119 62.952 -17.220 5.484 1.00 1.00 C ATOM 1768 O LEU A 119 62.319 -18.258 5.298 1.00 1.00 O ATOM 1769 CB LEU A 119 62.210 -14.872 5.897 1.00 1.00 C ATOM 1770 CG LEU A 119 60.820 -14.851 5.228 1.00 1.00 C ATOM 1771 CD1 LEU A 119 59.767 -14.357 6.230 1.00 1.00 C ATOM 1772 CD2 LEU A 119 60.856 -13.910 4.021 1.00 1.00 C ATOM 0 H LEU A 119 64.052 -15.255 7.531 1.00 1.00 H new ATOM 0 HA LEU A 119 61.553 -16.626 6.989 1.00 1.00 H new ATOM 0 HB2 LEU A 119 62.271 -14.084 6.648 1.00 1.00 H new ATOM 0 HB3 LEU A 119 62.981 -14.665 5.155 1.00 1.00 H new ATOM 0 HG LEU A 119 60.560 -15.858 4.903 1.00 1.00 H new ATOM 0 HD11 LEU A 119 58.788 -14.344 5.752 1.00 1.00 H new ATOM 0 HD12 LEU A 119 59.742 -15.025 7.091 1.00 1.00 H new ATOM 0 HD13 LEU A 119 60.023 -13.350 6.560 1.00 1.00 H new ATOM 0 HD21 LEU A 119 59.876 -13.892 3.545 1.00 1.00 H new ATOM 0 HD22 LEU A 119 61.118 -12.905 4.351 1.00 1.00 H new ATOM 0 HD23 LEU A 119 61.600 -14.263 3.307 1.00 1.00 H new ATOM 1784 N GLY A 120 64.069 -16.924 4.776 1.00 1.00 N ATOM 1785 CA GLY A 120 64.502 -17.886 3.775 1.00 1.00 C ATOM 1786 C GLY A 120 64.979 -19.177 4.446 1.00 1.00 C ATOM 1787 O GLY A 120 64.217 -20.128 4.626 1.00 1.00 O ATOM 0 H GLY A 120 64.641 -16.085 4.877 1.00 1.00 H new ATOM 0 HA2 GLY A 120 63.681 -18.105 3.093 1.00 1.00 H new ATOM 0 HA3 GLY A 120 65.308 -17.460 3.177 1.00 1.00 H new ATOM 1791 N THR A 121 66.249 -19.178 4.807 1.00 1.00 N ATOM 1792 CA THR A 121 66.892 -20.319 5.462 1.00 1.00 C ATOM 1793 C THR A 121 68.186 -19.807 6.107 1.00 1.00 C ATOM 1794 O THR A 121 68.680 -20.360 7.094 1.00 1.00 O ATOM 1795 CB THR A 121 67.151 -21.450 4.443 1.00 1.00 C ATOM 1796 OG1 THR A 121 65.903 -21.981 4.008 1.00 1.00 O ATOM 1797 CG2 THR A 121 67.953 -22.583 5.087 1.00 1.00 C ATOM 0 H THR A 121 66.873 -18.386 4.656 1.00 1.00 H new ATOM 0 HA THR A 121 66.250 -20.746 6.232 1.00 1.00 H new ATOM 0 HB THR A 121 67.713 -21.038 3.605 1.00 1.00 H new ATOM 0 HG1 THR A 121 65.174 -21.553 4.504 1.00 1.00 H new ATOM 0 HG21 THR A 121 68.125 -23.370 4.353 1.00 1.00 H new ATOM 0 HG22 THR A 121 68.911 -22.198 5.437 1.00 1.00 H new ATOM 0 HG23 THR A 121 67.395 -22.990 5.931 1.00 1.00 H new ATOM 1805 N GLY A 122 68.704 -18.708 5.526 1.00 1.00 N ATOM 1806 CA GLY A 122 69.917 -18.010 5.963 1.00 1.00 C ATOM 1807 C GLY A 122 71.060 -18.075 4.946 1.00 1.00 C ATOM 1808 O GLY A 122 71.797 -17.099 4.838 1.00 1.00 O ATOM 0 H GLY A 122 68.271 -18.271 4.712 1.00 1.00 H new ATOM 0 HA2 GLY A 122 69.675 -16.965 6.159 1.00 1.00 H new ATOM 0 HA3 GLY A 122 70.255 -18.441 6.905 1.00 1.00 H new ATOM 1812 N THR A 123 71.243 -19.176 4.213 1.00 1.00 N ATOM 1813 CA THR A 123 72.348 -19.266 3.243 1.00 1.00 C ATOM 1814 C THR A 123 72.686 -17.931 2.586 1.00 1.00 C ATOM 1815 O THR A 123 72.143 -17.580 1.544 1.00 1.00 O ATOM 1816 CB THR A 123 72.007 -20.258 2.115 1.00 1.00 C ATOM 1817 OG1 THR A 123 72.977 -20.136 1.079 1.00 1.00 O ATOM 1818 CG2 THR A 123 70.610 -19.957 1.532 1.00 1.00 C ATOM 0 H THR A 123 70.654 -20.007 4.267 1.00 1.00 H new ATOM 0 HA THR A 123 73.209 -19.601 3.822 1.00 1.00 H new ATOM 0 HB THR A 123 72.010 -21.269 2.523 1.00 1.00 H new ATOM 0 HG1 THR A 123 72.534 -20.198 0.207 1.00 1.00 H new ATOM 0 HG21 THR A 123 70.387 -20.668 0.737 1.00 1.00 H new ATOM 0 HG22 THR A 123 69.861 -20.046 2.319 1.00 1.00 H new ATOM 0 HG23 THR A 123 70.595 -18.945 1.128 1.00 1.00 H new ATOM 1826 N ASP A 124 73.630 -17.215 3.186 1.00 1.00 N ATOM 1827 CA ASP A 124 74.095 -15.942 2.647 1.00 1.00 C ATOM 1828 C ASP A 124 75.602 -15.837 2.883 1.00 1.00 C ATOM 1829 O ASP A 124 76.102 -16.285 3.913 1.00 1.00 O ATOM 1830 CB ASP A 124 73.355 -14.773 3.306 1.00 1.00 C ATOM 1831 CG ASP A 124 71.911 -14.731 2.804 1.00 1.00 C ATOM 1832 OD1 ASP A 124 71.716 -14.364 1.656 1.00 1.00 O ATOM 1833 OD2 ASP A 124 71.023 -15.063 3.573 1.00 1.00 O ATOM 0 H ASP A 124 74.091 -17.497 4.051 1.00 1.00 H new ATOM 0 HA ASP A 124 73.889 -15.896 1.578 1.00 1.00 H new ATOM 0 HB2 ASP A 124 73.371 -14.885 4.390 1.00 1.00 H new ATOM 0 HB3 ASP A 124 73.858 -13.834 3.075 1.00 1.00 H new ATOM 1838 N TYR A 125 76.330 -15.251 1.928 1.00 1.00 N ATOM 1839 CA TYR A 125 77.779 -15.104 2.043 1.00 1.00 C ATOM 1840 C TYR A 125 78.217 -13.823 1.318 1.00 1.00 C ATOM 1841 O TYR A 125 77.691 -13.493 0.259 1.00 1.00 O ATOM 1842 CB TYR A 125 78.468 -16.341 1.437 1.00 1.00 C ATOM 1843 CG TYR A 125 79.895 -16.015 1.052 1.00 1.00 C ATOM 1844 CD1 TYR A 125 80.918 -16.066 2.006 1.00 1.00 C ATOM 1845 CD2 TYR A 125 80.181 -15.642 -0.265 1.00 1.00 C ATOM 1846 CE1 TYR A 125 82.230 -15.739 1.639 1.00 1.00 C ATOM 1847 CE2 TYR A 125 81.489 -15.319 -0.633 1.00 1.00 C ATOM 1848 CZ TYR A 125 82.515 -15.365 0.317 1.00 1.00 C ATOM 1849 OH TYR A 125 83.807 -15.041 -0.045 1.00 1.00 O ATOM 0 H TYR A 125 75.937 -14.871 1.067 1.00 1.00 H new ATOM 0 HA TYR A 125 78.067 -15.027 3.091 1.00 1.00 H new ATOM 0 HB2 TYR A 125 78.457 -17.160 2.156 1.00 1.00 H new ATOM 0 HB3 TYR A 125 77.916 -16.679 0.560 1.00 1.00 H new ATOM 0 HD1 TYR A 125 80.697 -16.357 3.022 1.00 1.00 H new ATOM 0 HD2 TYR A 125 79.389 -15.604 -0.999 1.00 1.00 H new ATOM 0 HE1 TYR A 125 83.021 -15.775 2.373 1.00 1.00 H new ATOM 0 HE2 TYR A 125 81.708 -15.034 -1.651 1.00 1.00 H new ATOM 0 HH TYR A 125 83.790 -14.460 -0.834 1.00 1.00 H new ATOM 1859 N ARG A 126 79.206 -13.138 1.881 1.00 1.00 N ATOM 1860 CA ARG A 126 79.738 -11.915 1.272 1.00 1.00 C ATOM 1861 C ARG A 126 81.211 -11.718 1.655 1.00 1.00 C ATOM 1862 O ARG A 126 81.659 -12.192 2.699 1.00 1.00 O ATOM 1863 CB ARG A 126 78.895 -10.695 1.710 1.00 1.00 C ATOM 1864 CG ARG A 126 77.685 -10.468 0.782 1.00 1.00 C ATOM 1865 CD ARG A 126 78.132 -10.125 -0.655 1.00 1.00 C ATOM 1866 NE ARG A 126 77.872 -11.253 -1.539 1.00 1.00 N ATOM 1867 CZ ARG A 126 76.627 -11.604 -1.847 1.00 1.00 C ATOM 1868 NH1 ARG A 126 75.622 -10.975 -1.306 1.00 1.00 N ATOM 1869 NH2 ARG A 126 76.408 -12.587 -2.679 1.00 1.00 N ATOM 0 H ARG A 126 79.658 -13.404 2.756 1.00 1.00 H new ATOM 0 HA ARG A 126 79.679 -12.010 0.188 1.00 1.00 H new ATOM 0 HB2 ARG A 126 78.546 -10.843 2.732 1.00 1.00 H new ATOM 0 HB3 ARG A 126 79.522 -9.803 1.714 1.00 1.00 H new ATOM 0 HG2 ARG A 126 77.063 -11.363 0.767 1.00 1.00 H new ATOM 0 HG3 ARG A 126 77.070 -9.659 1.176 1.00 1.00 H new ATOM 0 HD2 ARG A 126 77.599 -9.243 -1.010 1.00 1.00 H new ATOM 0 HD3 ARG A 126 79.194 -9.881 -0.666 1.00 1.00 H new ATOM 0 HE ARG A 126 78.655 -11.780 -1.927 1.00 1.00 H new ATOM 0 HH11 ARG A 126 75.791 -10.215 -0.647 1.00 1.00 H new ATOM 0 HH12 ARG A 126 74.666 -11.243 -1.541 1.00 1.00 H new ATOM 0 HH21 ARG A 126 77.193 -13.088 -3.095 1.00 1.00 H new ATOM 0 HH22 ARG A 126 75.452 -12.854 -2.913 1.00 1.00 H new ATOM 1883 N PHE A 127 81.948 -10.993 0.819 1.00 1.00 N ATOM 1884 CA PHE A 127 83.355 -10.710 1.095 1.00 1.00 C ATOM 1885 C PHE A 127 83.880 -9.677 0.095 1.00 1.00 C ATOM 1886 O PHE A 127 84.571 -8.767 0.517 1.00 1.00 O ATOM 1887 CB PHE A 127 84.199 -12.017 1.062 1.00 1.00 C ATOM 1888 CG PHE A 127 84.987 -12.128 -0.230 1.00 1.00 C ATOM 1889 CD1 PHE A 127 84.367 -12.603 -1.390 1.00 1.00 C ATOM 1890 CD2 PHE A 127 86.333 -11.736 -0.265 1.00 1.00 C ATOM 1891 CE1 PHE A 127 85.090 -12.687 -2.587 1.00 1.00 C ATOM 1892 CE2 PHE A 127 87.056 -11.822 -1.461 1.00 1.00 C ATOM 1893 CZ PHE A 127 86.435 -12.296 -2.623 1.00 1.00 C ATOM 1894 OXT PHE A 127 83.573 -9.812 -1.081 1.00 1.00 O ATOM 0 H PHE A 127 81.598 -10.592 -0.051 1.00 1.00 H new ATOM 0 HA PHE A 127 83.445 -10.293 2.098 1.00 1.00 H new ATOM 0 HB2 PHE A 127 84.883 -12.033 1.911 1.00 1.00 H new ATOM 0 HB3 PHE A 127 83.542 -12.880 1.166 1.00 1.00 H new ATOM 0 HD1 PHE A 127 83.330 -12.905 -1.363 1.00 1.00 H new ATOM 0 HD2 PHE A 127 86.812 -11.368 0.630 1.00 1.00 H new ATOM 0 HE1 PHE A 127 84.610 -13.053 -3.483 1.00 1.00 H new ATOM 0 HE2 PHE A 127 88.093 -11.523 -1.487 1.00 1.00 H new ATOM 0 HZ PHE A 127 86.992 -12.360 -3.546 1.00 1.00 H new TER 1904 PHE A 127 HETATM 1905 O1 MTN A 128 65.749 4.744 -10.050 1.00 1.00 O HETATM 1906 N1 MTN A 128 65.951 4.516 -8.823 1.00 1.00 N HETATM 1907 C1 MTN A 128 66.392 3.205 -8.306 1.00 1.00 C HETATM 1908 C2 MTN A 128 66.455 3.510 -6.858 1.00 1.00 C HETATM 1909 C3 MTN A 128 66.119 4.752 -6.559 1.00 1.00 C HETATM 1910 C4 MTN A 128 66.071 5.314 -5.179 1.00 1.00 C HETATM 1911 S1 MTN A 128 67.512 4.915 -4.173 1.00 1.00 S HETATM 1912 C5 MTN A 128 65.757 5.567 -7.774 1.00 1.00 C HETATM 1913 C6 MTN A 128 64.358 6.162 -7.685 1.00 1.00 C HETATM 1914 C7 MTN A 128 66.797 6.667 -7.986 1.00 1.00 C HETATM 1915 C8 MTN A 128 65.399 2.080 -8.599 1.00 1.00 C HETATM 1916 C9 MTN A 128 67.775 2.876 -8.836 1.00 1.00 C HETATM 0 H93 MTN A 128 67.748 2.841 -9.925 1.00 1.00 H new HETATM 0 H92 MTN A 128 68.480 3.643 -8.515 1.00 1.00 H new HETATM 0 H91 MTN A 128 68.092 1.907 -8.449 1.00 1.00 H new HETATM 0 H83 MTN A 128 64.440 2.312 -8.136 1.00 1.00 H new HETATM 0 H82 MTN A 128 65.267 1.982 -9.677 1.00 1.00 H new HETATM 0 H81 MTN A 128 65.781 1.143 -8.194 1.00 1.00 H new HETATM 0 H73 MTN A 128 67.798 6.242 -7.904 1.00 1.00 H new HETATM 0 H72 MTN A 128 66.668 7.104 -8.976 1.00 1.00 H new HETATM 0 H71 MTN A 128 66.668 7.440 -7.229 1.00 1.00 H new HETATM 0 H63 MTN A 128 64.100 6.629 -8.636 1.00 1.00 H new HETATM 0 H62 MTN A 128 63.640 5.373 -7.462 1.00 1.00 H new HETATM 0 H61 MTN A 128 64.331 6.911 -6.894 1.00 1.00 H new HETATM 0 H42 MTN A 128 65.974 6.398 -5.243 1.00 1.00 H new HETATM 0 H41 MTN A 128 65.177 4.943 -4.678 1.00 1.00 H new HETATM 0 H2 MTN A 128 66.751 2.777 -6.108 1.00 1.00 H new HETATM 1932 O1 MTN A 129 70.494 -9.270 -5.824 1.00 1.00 O HETATM 1933 N1 MTN A 129 70.434 -8.694 -4.699 1.00 1.00 N HETATM 1934 C1 MTN A 129 69.397 -7.697 -4.355 1.00 1.00 C HETATM 1935 C2 MTN A 129 69.819 -7.355 -2.974 1.00 1.00 C HETATM 1936 C3 MTN A 129 70.885 -8.009 -2.560 1.00 1.00 C HETATM 1937 C4 MTN A 129 71.529 -7.830 -1.220 1.00 1.00 C HETATM 1938 S1 MTN A 129 72.843 -6.579 -1.195 1.00 1.00 S HETATM 1939 C5 MTN A 129 71.421 -8.970 -3.607 1.00 1.00 C HETATM 1940 C6 MTN A 129 72.890 -8.736 -3.980 1.00 1.00 C HETATM 1941 C7 MTN A 129 71.194 -10.414 -3.129 1.00 1.00 C HETATM 1942 C8 MTN A 129 69.416 -6.483 -5.287 1.00 1.00 C HETATM 1943 C9 MTN A 129 68.027 -8.366 -4.327 1.00 1.00 C HETATM 0 H93 MTN A 129 67.809 -8.789 -5.307 1.00 1.00 H new HETATM 0 H92 MTN A 129 68.025 -9.160 -3.580 1.00 1.00 H new HETATM 0 H91 MTN A 129 67.267 -7.627 -4.073 1.00 1.00 H new HETATM 0 H83 MTN A 129 70.387 -5.991 -5.224 1.00 1.00 H new HETATM 0 H82 MTN A 129 69.240 -6.809 -6.312 1.00 1.00 H new HETATM 0 H81 MTN A 129 68.635 -5.783 -4.989 1.00 1.00 H new HETATM 0 H73 MTN A 129 70.175 -10.518 -2.755 1.00 1.00 H new HETATM 0 H72 MTN A 129 71.347 -11.101 -3.961 1.00 1.00 H new HETATM 0 H71 MTN A 129 71.899 -10.648 -2.331 1.00 1.00 H new HETATM 0 H63 MTN A 129 73.161 -9.383 -4.814 1.00 1.00 H new HETATM 0 H62 MTN A 129 73.031 -7.694 -4.269 1.00 1.00 H new HETATM 0 H61 MTN A 129 73.524 -8.964 -3.123 1.00 1.00 H new HETATM 0 H42 MTN A 129 70.764 -7.553 -0.495 1.00 1.00 H new HETATM 0 H41 MTN A 129 71.944 -8.785 -0.897 1.00 1.00 H new HETATM 0 H2 MTN A 129 69.293 -6.627 -2.357 1.00 1.00 H new HETATM 1959 O1 MTN A 130 82.153 -10.122 4.675 1.00 1.00 O HETATM 1960 N1 MTN A 130 81.628 -9.592 5.696 1.00 1.00 N HETATM 1961 C1 MTN A 130 82.220 -9.705 7.056 1.00 1.00 C HETATM 1962 C2 MTN A 130 81.239 -8.886 7.824 1.00 1.00 C HETATM 1963 C3 MTN A 130 80.247 -8.412 7.095 1.00 1.00 C HETATM 1964 C4 MTN A 130 79.091 -7.618 7.638 1.00 1.00 C HETATM 1965 S1 MTN A 130 78.501 -6.275 6.587 1.00 1.00 S HETATM 1966 C5 MTN A 130 80.368 -8.811 5.628 1.00 1.00 C HETATM 1967 C6 MTN A 130 79.189 -9.664 5.141 1.00 1.00 C HETATM 1968 C7 MTN A 130 80.633 -7.608 4.715 1.00 1.00 C HETATM 1969 C8 MTN A 130 82.213 -11.144 7.585 1.00 1.00 C HETATM 1970 C9 MTN A 130 83.635 -9.137 7.084 1.00 1.00 C HETATM 0 H93 MTN A 130 84.262 -9.688 6.383 1.00 1.00 H new HETATM 0 H92 MTN A 130 83.610 -8.085 6.800 1.00 1.00 H new HETATM 0 H91 MTN A 130 84.045 -9.232 8.089 1.00 1.00 H new HETATM 0 H83 MTN A 130 81.187 -11.508 7.636 1.00 1.00 H new HETATM 0 H82 MTN A 130 82.791 -11.781 6.915 1.00 1.00 H new HETATM 0 H81 MTN A 130 82.656 -11.168 8.580 1.00 1.00 H new HETATM 0 H73 MTN A 130 81.438 -7.004 5.134 1.00 1.00 H new HETATM 0 H72 MTN A 130 80.921 -7.960 3.724 1.00 1.00 H new HETATM 0 H71 MTN A 130 79.729 -7.004 4.637 1.00 1.00 H new HETATM 0 H63 MTN A 130 79.405 -10.048 4.144 1.00 1.00 H new HETATM 0 H62 MTN A 130 79.036 -10.498 5.826 1.00 1.00 H new HETATM 0 H61 MTN A 130 78.287 -9.053 5.106 1.00 1.00 H new HETATM 0 H42 MTN A 130 78.261 -8.300 7.824 1.00 1.00 H new HETATM 0 H41 MTN A 130 79.382 -7.200 8.601 1.00 1.00 H new HETATM 0 H2 MTN A 130 81.333 -8.696 8.893 1.00 1.00 H new