USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 850 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= -0.121 (180deg=-0.127) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0123 USER MOD Single : A 4 THR OG1 : rot 144:sc= -1.6 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 70:sc= -1.83! USER MOD Single : A 10 GLN : amide:sc= -0.0398 K(o=-0.04,f=-0.66) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.651 K(o=-0.65,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= -0.0147 (180deg=-0.153) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -178:sc= 0.142 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -110:sc= 0.663 USER MOD Single : A 39 MET CE :methyl 165:sc= -0.0298 (180deg=-0.324) USER MOD Single : A 45 SER OG : rot -35:sc= 0.452 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -15:sc= 0.174 USER MOD Single : A 50 SER OG : rot -75:sc= 1.23 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -132:sc= -0.3 (180deg=-0.57) USER MOD Single : A 68 GLN :FLIP amide:sc= -3.72 F(o=-8!,f=-3.7) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.0511 F(o=-0.99,f=-0.051) USER MOD Single : A 75 GLN : amide:sc= -0.885 X(o=-0.88,f=-0.53) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 82 ASN : amide:sc= -1.01 X(o=-1,f=-0.79) USER MOD Single : A 90 TYR OH : rot 130:sc= 0.803 USER MOD Single : A 94 GLN : amide:sc= -0.219 K(o=-0.22,f=-4.7!) USER MOD Single : A 100 THR OG1 : rot -74:sc= 0.301 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.716 F(o=-1.2,f=-0.72) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.299 1.510 0.688 1.00 0.00 N ATOM 2 CA MET A 1 1.858 1.309 -0.710 1.00 0.00 C ATOM 3 C MET A 1 0.903 2.415 -1.139 1.00 0.00 C ATOM 4 O MET A 1 0.345 2.376 -2.236 1.00 0.00 O ATOM 5 CB MET A 1 1.188 -0.057 -0.873 1.00 0.00 C ATOM 6 CG MET A 1 2.144 -1.224 -0.689 1.00 0.00 C ATOM 7 SD MET A 1 3.543 -1.158 -1.826 1.00 0.00 S ATOM 8 CE MET A 1 4.435 -2.638 -1.354 1.00 0.00 C ATOM 0 H1 MET A 1 2.962 0.755 0.955 1.00 0.00 H new ATOM 0 H2 MET A 1 2.772 2.432 0.774 1.00 0.00 H new ATOM 0 H3 MET A 1 1.473 1.484 1.320 1.00 0.00 H new ATOM 0 HA MET A 1 2.740 1.344 -1.350 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.377 -0.144 -0.150 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.739 -0.117 -1.865 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.513 -1.228 0.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.604 -2.159 -0.837 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.329 -2.736 -1.970 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.723 -2.570 -0.305 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.797 -3.509 -1.499 1.00 0.00 H new ATOM 18 N SER A 2 0.710 3.398 -0.270 1.00 0.00 N ATOM 19 CA SER A 2 -0.097 4.556 -0.605 1.00 0.00 C ATOM 20 C SER A 2 0.730 5.558 -1.407 1.00 0.00 C ATOM 21 O SER A 2 1.963 5.568 -1.318 1.00 0.00 O ATOM 22 CB SER A 2 -0.639 5.199 0.673 1.00 0.00 C ATOM 23 OG SER A 2 0.399 5.411 1.616 1.00 0.00 O ATOM 0 H SER A 2 1.103 3.414 0.671 1.00 0.00 H new ATOM 0 HA SER A 2 -0.941 4.240 -1.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.116 6.149 0.432 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.406 4.559 1.109 1.00 0.00 H new ATOM 0 HG SER A 2 0.028 5.824 2.423 1.00 0.00 H new ATOM 29 N ILE A 3 0.059 6.385 -2.191 1.00 0.00 N ATOM 30 CA ILE A 3 0.743 7.357 -3.031 1.00 0.00 C ATOM 31 C ILE A 3 1.202 8.547 -2.199 1.00 0.00 C ATOM 32 O ILE A 3 0.507 8.988 -1.278 1.00 0.00 O ATOM 33 CB ILE A 3 -0.162 7.841 -4.190 1.00 0.00 C ATOM 34 CG1 ILE A 3 -0.659 6.645 -5.007 1.00 0.00 C ATOM 35 CG2 ILE A 3 0.576 8.825 -5.091 1.00 0.00 C ATOM 36 CD1 ILE A 3 0.452 5.815 -5.615 1.00 0.00 C ATOM 0 H ILE A 3 -0.958 6.404 -2.264 1.00 0.00 H new ATOM 0 HA ILE A 3 1.613 6.864 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.019 8.357 -3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.267 6.007 -4.366 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.308 7.007 -5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.085 9.147 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.886 9.691 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.455 8.341 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.021 4.987 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.047 6.437 -6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.088 5.422 -4.822 1.00 0.00 H new ATOM 48 N THR A 4 2.371 9.062 -2.528 1.00 0.00 N ATOM 49 CA THR A 4 2.958 10.161 -1.792 1.00 0.00 C ATOM 50 C THR A 4 2.563 11.500 -2.407 1.00 0.00 C ATOM 51 O THR A 4 1.827 11.549 -3.394 1.00 0.00 O ATOM 52 CB THR A 4 4.491 10.031 -1.780 1.00 0.00 C ATOM 53 OG1 THR A 4 4.975 9.912 -3.126 1.00 0.00 O ATOM 54 CG2 THR A 4 4.923 8.814 -0.977 1.00 0.00 C ATOM 0 H THR A 4 2.937 8.731 -3.309 1.00 0.00 H new ATOM 0 HA THR A 4 2.583 10.123 -0.769 1.00 0.00 H new ATOM 0 HB THR A 4 4.910 10.923 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.831 10.382 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.011 8.742 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 4 4.571 8.912 0.050 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.498 7.915 -1.422 1.00 0.00 H new ATOM 62 N SER A 5 3.041 12.576 -1.811 1.00 0.00 N ATOM 63 CA SER A 5 2.809 13.913 -2.328 1.00 0.00 C ATOM 64 C SER A 5 3.736 14.196 -3.513 1.00 0.00 C ATOM 65 O SER A 5 4.412 13.288 -4.001 1.00 0.00 O ATOM 66 CB SER A 5 3.025 14.931 -1.212 1.00 0.00 C ATOM 67 OG SER A 5 2.269 14.579 -0.065 1.00 0.00 O ATOM 0 H SER A 5 3.599 12.549 -0.958 1.00 0.00 H new ATOM 0 HA SER A 5 1.781 13.991 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.083 14.980 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.734 15.924 -1.556 1.00 0.00 H new ATOM 0 HG SER A 5 2.420 15.241 0.642 1.00 0.00 H new ATOM 73 N THR A 6 3.767 15.455 -3.958 1.00 0.00 N ATOM 74 CA THR A 6 4.545 15.877 -5.129 1.00 0.00 C ATOM 75 C THR A 6 6.008 15.409 -5.066 1.00 0.00 C ATOM 76 O THR A 6 6.679 15.297 -6.096 1.00 0.00 O ATOM 77 CB THR A 6 4.485 17.412 -5.280 1.00 0.00 C ATOM 78 OG1 THR A 6 3.113 17.829 -5.312 1.00 0.00 O ATOM 79 CG2 THR A 6 5.181 17.883 -6.552 1.00 0.00 C ATOM 0 H THR A 6 3.251 16.215 -3.515 1.00 0.00 H new ATOM 0 HA THR A 6 4.094 15.403 -6.001 1.00 0.00 H new ATOM 0 HB THR A 6 5.002 17.855 -4.429 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.069 18.803 -5.406 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.117 18.969 -6.621 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.228 17.582 -6.526 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.696 17.435 -7.419 1.00 0.00 H new ATOM 87 N ASP A 7 6.489 15.123 -3.859 1.00 0.00 N ATOM 88 CA ASP A 7 7.838 14.591 -3.646 1.00 0.00 C ATOM 89 C ASP A 7 8.096 13.353 -4.513 1.00 0.00 C ATOM 90 O ASP A 7 9.246 13.003 -4.779 1.00 0.00 O ATOM 91 CB ASP A 7 8.023 14.214 -2.174 1.00 0.00 C ATOM 92 CG ASP A 7 7.567 15.306 -1.229 1.00 0.00 C ATOM 93 OD1 ASP A 7 6.341 15.484 -1.078 1.00 0.00 O ATOM 94 OD2 ASP A 7 8.426 15.980 -0.624 1.00 0.00 O ATOM 0 H ASP A 7 5.957 15.253 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 7 8.548 15.368 -3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.465 13.301 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.075 13.995 -1.989 1.00 0.00 H new ATOM 99 N ILE A 8 7.018 12.695 -4.942 1.00 0.00 N ATOM 100 CA ILE A 8 7.106 11.533 -5.826 1.00 0.00 C ATOM 101 C ILE A 8 7.825 11.887 -7.132 1.00 0.00 C ATOM 102 O ILE A 8 8.622 11.103 -7.648 1.00 0.00 O ATOM 103 CB ILE A 8 5.697 10.960 -6.138 1.00 0.00 C ATOM 104 CG1 ILE A 8 5.792 9.736 -7.053 1.00 0.00 C ATOM 105 CG2 ILE A 8 4.797 12.021 -6.766 1.00 0.00 C ATOM 106 CD1 ILE A 8 4.459 9.064 -7.296 1.00 0.00 C ATOM 0 H ILE A 8 6.064 12.951 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 8 7.685 10.771 -5.305 1.00 0.00 H new ATOM 0 HB ILE A 8 5.252 10.650 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.218 10.039 -8.010 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.480 9.014 -6.612 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.817 11.591 -6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 8 4.687 12.859 -6.077 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.243 12.372 -7.696 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.599 8.205 -7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.041 8.731 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.775 9.771 -7.765 1.00 0.00 H new ATOM 118 N CYS A 9 7.563 13.085 -7.636 1.00 0.00 N ATOM 119 CA CYS A 9 8.157 13.546 -8.881 1.00 0.00 C ATOM 120 C CYS A 9 9.626 13.896 -8.666 1.00 0.00 C ATOM 121 O CYS A 9 10.456 13.748 -9.562 1.00 0.00 O ATOM 122 CB CYS A 9 7.382 14.765 -9.398 1.00 0.00 C ATOM 123 SG CYS A 9 7.973 15.431 -10.973 1.00 0.00 S ATOM 0 H CYS A 9 6.937 13.760 -7.196 1.00 0.00 H new ATOM 0 HA CYS A 9 8.101 12.750 -9.624 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.333 14.491 -9.507 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.429 15.553 -8.646 1.00 0.00 H new ATOM 0 HG CYS A 9 7.693 14.596 -11.930 1.00 0.00 H new ATOM 129 N GLN A 10 9.942 14.337 -7.456 1.00 0.00 N ATOM 130 CA GLN A 10 11.294 14.759 -7.118 1.00 0.00 C ATOM 131 C GLN A 10 12.216 13.551 -6.967 1.00 0.00 C ATOM 132 O GLN A 10 13.400 13.610 -7.307 1.00 0.00 O ATOM 133 CB GLN A 10 11.285 15.582 -5.828 1.00 0.00 C ATOM 134 CG GLN A 10 10.299 16.742 -5.848 1.00 0.00 C ATOM 135 CD GLN A 10 10.526 17.695 -7.008 1.00 0.00 C ATOM 136 OE1 GLN A 10 11.649 17.870 -7.478 1.00 0.00 O ATOM 137 NE2 GLN A 10 9.456 18.313 -7.482 1.00 0.00 N ATOM 0 H GLN A 10 9.275 14.412 -6.688 1.00 0.00 H new ATOM 0 HA GLN A 10 11.672 15.380 -7.930 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.044 14.926 -4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.287 15.972 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.284 16.348 -5.902 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.377 17.294 -4.911 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.541 18.141 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.546 18.961 -8.265 1.00 0.00 H new ATOM 146 N ALA A 11 11.656 12.453 -6.466 1.00 0.00 N ATOM 147 CA ALA A 11 12.419 11.229 -6.227 1.00 0.00 C ATOM 148 C ALA A 11 12.947 10.628 -7.529 1.00 0.00 C ATOM 149 O ALA A 11 13.904 9.856 -7.522 1.00 0.00 O ATOM 150 CB ALA A 11 11.565 10.212 -5.483 1.00 0.00 C ATOM 0 H ALA A 11 10.669 12.385 -6.216 1.00 0.00 H new ATOM 0 HA ALA A 11 13.280 11.491 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.145 9.305 -5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.253 10.630 -4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.684 9.972 -6.078 1.00 0.00 H new ATOM 156 N ALA A 12 12.326 10.995 -8.646 1.00 0.00 N ATOM 157 CA ALA A 12 12.747 10.516 -9.958 1.00 0.00 C ATOM 158 C ALA A 12 14.146 11.022 -10.313 1.00 0.00 C ATOM 159 O ALA A 12 14.868 10.391 -11.080 1.00 0.00 O ATOM 160 CB ALA A 12 11.741 10.938 -11.017 1.00 0.00 C ATOM 0 H ALA A 12 11.525 11.626 -8.668 1.00 0.00 H new ATOM 0 HA ALA A 12 12.788 9.427 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.065 10.575 -11.992 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.764 10.516 -10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.671 12.026 -11.040 1.00 0.00 H new ATOM 166 N ASP A 13 14.529 12.159 -9.744 1.00 0.00 N ATOM 167 CA ASP A 13 15.856 12.722 -9.986 1.00 0.00 C ATOM 168 C ASP A 13 16.870 12.145 -9.003 1.00 0.00 C ATOM 169 O ASP A 13 18.076 12.177 -9.243 1.00 0.00 O ATOM 170 CB ASP A 13 15.823 14.251 -9.875 1.00 0.00 C ATOM 171 CG ASP A 13 17.191 14.885 -10.060 1.00 0.00 C ATOM 172 OD1 ASP A 13 17.732 14.833 -11.186 1.00 0.00 O ATOM 173 OD2 ASP A 13 17.730 15.447 -9.081 1.00 0.00 O ATOM 0 H ASP A 13 13.944 12.709 -9.114 1.00 0.00 H new ATOM 0 HA ASP A 13 16.160 12.454 -10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.139 14.650 -10.623 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.427 14.531 -8.899 1.00 0.00 H new ATOM 178 N ALA A 14 16.368 11.577 -7.914 1.00 0.00 N ATOM 179 CA ALA A 14 17.224 11.041 -6.860 1.00 0.00 C ATOM 180 C ALA A 14 17.868 9.722 -7.278 1.00 0.00 C ATOM 181 O ALA A 14 18.707 9.176 -6.560 1.00 0.00 O ATOM 182 CB ALA A 14 16.427 10.860 -5.578 1.00 0.00 C ATOM 0 H ALA A 14 15.369 11.475 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 14 18.025 11.758 -6.682 1.00 0.00 H new ATOM 0 HB1 ALA A 14 17.076 10.460 -4.799 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.028 11.823 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.604 10.168 -5.756 1.00 0.00 H new ATOM 188 N LEU A 15 17.476 9.222 -8.442 1.00 0.00 N ATOM 189 CA LEU A 15 18.038 7.990 -8.979 1.00 0.00 C ATOM 190 C LEU A 15 19.517 8.183 -9.302 1.00 0.00 C ATOM 191 O LEU A 15 19.969 9.312 -9.520 1.00 0.00 O ATOM 192 CB LEU A 15 17.284 7.575 -10.246 1.00 0.00 C ATOM 193 CG LEU A 15 15.762 7.482 -10.110 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.136 7.034 -11.421 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.377 6.535 -8.989 1.00 0.00 C ATOM 0 H LEU A 15 16.767 9.653 -9.035 1.00 0.00 H new ATOM 0 HA LEU A 15 17.936 7.205 -8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.517 8.289 -11.036 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.662 6.605 -10.571 1.00 0.00 H new ATOM 0 HG LEU A 15 15.382 8.474 -9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.054 6.973 -11.306 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.378 7.753 -12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.527 6.054 -11.695 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.291 6.485 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.772 5.541 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 15 15.792 6.897 -8.048 1.00 0.00 H new ATOM 207 N LYS A 16 20.271 7.092 -9.331 1.00 0.00 N ATOM 208 CA LYS A 16 21.692 7.161 -9.642 1.00 0.00 C ATOM 209 C LYS A 16 22.109 5.992 -10.527 1.00 0.00 C ATOM 210 O LYS A 16 21.555 4.899 -10.430 1.00 0.00 O ATOM 211 CB LYS A 16 22.525 7.182 -8.357 1.00 0.00 C ATOM 212 CG LYS A 16 22.341 5.954 -7.478 1.00 0.00 C ATOM 213 CD LYS A 16 23.084 6.097 -6.161 1.00 0.00 C ATOM 214 CE LYS A 16 22.565 7.282 -5.362 1.00 0.00 C ATOM 215 NZ LYS A 16 23.236 7.404 -4.043 1.00 0.00 N ATOM 0 H LYS A 16 19.923 6.152 -9.144 1.00 0.00 H new ATOM 0 HA LYS A 16 21.875 8.087 -10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.579 7.272 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.264 8.070 -7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.280 5.800 -7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.700 5.070 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.972 5.184 -5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.149 6.224 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 16 22.718 8.198 -5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.490 7.175 -5.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.852 8.225 -3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 23.069 6.541 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.258 7.532 -4.184 1.00 0.00 H new ATOM 229 N GLY A 17 23.078 6.236 -11.395 1.00 0.00 N ATOM 230 CA GLY A 17 23.535 5.207 -12.304 1.00 0.00 C ATOM 231 C GLY A 17 23.253 5.564 -13.747 1.00 0.00 C ATOM 232 O GLY A 17 22.439 6.448 -14.028 1.00 0.00 O ATOM 0 H GLY A 17 23.558 7.132 -11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 17 24.606 5.054 -12.170 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.045 4.264 -12.061 1.00 0.00 H new ATOM 236 N PHE A 18 23.924 4.887 -14.663 1.00 0.00 N ATOM 237 CA PHE A 18 23.756 5.151 -16.084 1.00 0.00 C ATOM 238 C PHE A 18 23.138 3.946 -16.776 1.00 0.00 C ATOM 239 O PHE A 18 23.175 2.832 -16.254 1.00 0.00 O ATOM 240 CB PHE A 18 25.104 5.473 -16.738 1.00 0.00 C ATOM 241 CG PHE A 18 25.830 6.633 -16.119 1.00 0.00 C ATOM 242 CD1 PHE A 18 25.580 7.927 -16.543 1.00 0.00 C ATOM 243 CD2 PHE A 18 26.766 6.427 -15.119 1.00 0.00 C ATOM 244 CE1 PHE A 18 26.250 8.995 -15.981 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.440 7.492 -14.554 1.00 0.00 C ATOM 246 CZ PHE A 18 27.181 8.777 -14.984 1.00 0.00 C ATOM 0 H PHE A 18 24.593 4.148 -14.448 1.00 0.00 H new ATOM 0 HA PHE A 18 23.094 6.010 -16.191 1.00 0.00 H new ATOM 0 HB2 PHE A 18 25.741 4.590 -16.684 1.00 0.00 H new ATOM 0 HB3 PHE A 18 24.941 5.684 -17.795 1.00 0.00 H new ATOM 0 HD1 PHE A 18 24.853 8.103 -17.322 1.00 0.00 H new ATOM 0 HD2 PHE A 18 26.971 5.423 -14.777 1.00 0.00 H new ATOM 0 HE1 PHE A 18 26.047 10.000 -16.320 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.169 7.319 -13.776 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.705 9.611 -14.542 1.00 0.00 H new ATOM 256 N VAL A 19 22.554 4.178 -17.937 1.00 0.00 N ATOM 257 CA VAL A 19 22.053 3.102 -18.774 1.00 0.00 C ATOM 258 C VAL A 19 22.781 3.142 -20.110 1.00 0.00 C ATOM 259 O VAL A 19 22.913 4.207 -20.713 1.00 0.00 O ATOM 260 CB VAL A 19 20.530 3.219 -19.008 1.00 0.00 C ATOM 261 CG1 VAL A 19 19.987 1.959 -19.662 1.00 0.00 C ATOM 262 CG2 VAL A 19 19.801 3.499 -17.702 1.00 0.00 C ATOM 0 H VAL A 19 22.414 5.111 -18.325 1.00 0.00 H new ATOM 0 HA VAL A 19 22.235 2.155 -18.265 1.00 0.00 H new ATOM 0 HB VAL A 19 20.356 4.058 -19.682 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.913 2.063 -19.817 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.479 1.806 -20.622 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.178 1.102 -19.016 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.731 3.577 -17.892 1.00 0.00 H new ATOM 0 HG22 VAL A 19 19.986 2.686 -17.000 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.163 4.435 -17.277 1.00 0.00 H new ATOM 272 N GLY A 20 23.271 1.995 -20.551 1.00 0.00 N ATOM 273 CA GLY A 20 24.036 1.937 -21.775 1.00 0.00 C ATOM 274 C GLY A 20 23.737 0.687 -22.570 1.00 0.00 C ATOM 275 O GLY A 20 23.412 -0.356 -22.001 1.00 0.00 O ATOM 0 H GLY A 20 23.151 1.099 -20.079 1.00 0.00 H new ATOM 0 HA2 GLY A 20 23.815 2.815 -22.383 1.00 0.00 H new ATOM 0 HA3 GLY A 20 25.100 1.971 -21.540 1.00 0.00 H new ATOM 279 N PHE A 21 23.846 0.783 -23.883 1.00 0.00 N ATOM 280 CA PHE A 21 23.533 -0.338 -24.750 1.00 0.00 C ATOM 281 C PHE A 21 24.773 -1.179 -25.009 1.00 0.00 C ATOM 282 O PHE A 21 25.672 -0.770 -25.747 1.00 0.00 O ATOM 283 CB PHE A 21 22.945 0.162 -26.072 1.00 0.00 C ATOM 284 CG PHE A 21 22.405 -0.930 -26.957 1.00 0.00 C ATOM 285 CD1 PHE A 21 21.088 -1.342 -26.840 1.00 0.00 C ATOM 286 CD2 PHE A 21 23.210 -1.535 -27.910 1.00 0.00 C ATOM 287 CE1 PHE A 21 20.584 -2.340 -27.651 1.00 0.00 C ATOM 288 CE2 PHE A 21 22.712 -2.534 -28.723 1.00 0.00 C ATOM 289 CZ PHE A 21 21.397 -2.935 -28.596 1.00 0.00 C ATOM 0 H PHE A 21 24.149 1.625 -24.372 1.00 0.00 H new ATOM 0 HA PHE A 21 22.793 -0.963 -24.250 1.00 0.00 H new ATOM 0 HB2 PHE A 21 22.144 0.870 -25.857 1.00 0.00 H new ATOM 0 HB3 PHE A 21 23.715 0.708 -26.616 1.00 0.00 H new ATOM 0 HD1 PHE A 21 20.447 -0.877 -26.105 1.00 0.00 H new ATOM 0 HD2 PHE A 21 24.238 -1.222 -28.018 1.00 0.00 H new ATOM 0 HE1 PHE A 21 19.556 -2.655 -27.546 1.00 0.00 H new ATOM 0 HE2 PHE A 21 23.351 -3.001 -29.458 1.00 0.00 H new ATOM 0 HZ PHE A 21 21.005 -3.713 -29.235 1.00 0.00 H new ATOM 299 N ASN A 22 24.822 -2.347 -24.387 1.00 0.00 N ATOM 300 CA ASN A 22 25.898 -3.294 -24.630 1.00 0.00 C ATOM 301 C ASN A 22 25.615 -4.026 -25.934 1.00 0.00 C ATOM 302 O ASN A 22 24.720 -4.867 -25.996 1.00 0.00 O ATOM 303 CB ASN A 22 26.021 -4.298 -23.474 1.00 0.00 C ATOM 304 CG ASN A 22 27.224 -5.224 -23.615 1.00 0.00 C ATOM 305 OD1 ASN A 22 27.696 -5.494 -24.719 1.00 0.00 O ATOM 306 ND2 ASN A 22 27.711 -5.739 -22.498 1.00 0.00 N ATOM 0 H ASN A 22 24.128 -2.662 -23.709 1.00 0.00 H new ATOM 0 HA ASN A 22 26.843 -2.755 -24.700 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.097 -3.753 -22.533 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.112 -4.897 -23.422 1.00 0.00 H new ATOM 0 HD21 ASN A 22 28.502 -6.382 -22.535 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.295 -5.493 -21.600 1.00 0.00 H new ATOM 313 N ARG A 23 26.368 -3.695 -26.972 1.00 0.00 N ATOM 314 CA ARG A 23 26.125 -4.245 -28.302 1.00 0.00 C ATOM 315 C ARG A 23 26.591 -5.693 -28.420 1.00 0.00 C ATOM 316 O ARG A 23 26.194 -6.403 -29.345 1.00 0.00 O ATOM 317 CB ARG A 23 26.802 -3.388 -29.371 1.00 0.00 C ATOM 318 CG ARG A 23 28.276 -3.123 -29.114 1.00 0.00 C ATOM 319 CD ARG A 23 28.913 -2.387 -30.280 1.00 0.00 C ATOM 320 NE ARG A 23 28.174 -1.174 -30.629 1.00 0.00 N ATOM 321 CZ ARG A 23 28.151 -0.645 -31.850 1.00 0.00 C ATOM 322 NH1 ARG A 23 28.839 -1.213 -32.834 1.00 0.00 N ATOM 323 NH2 ARG A 23 27.438 0.451 -32.084 1.00 0.00 N ATOM 0 H ARG A 23 27.154 -3.047 -26.921 1.00 0.00 H new ATOM 0 HA ARG A 23 25.047 -4.231 -28.460 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.696 -3.881 -30.337 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.279 -2.434 -29.441 1.00 0.00 H new ATOM 0 HG2 ARG A 23 28.389 -2.534 -28.204 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.795 -4.067 -28.950 1.00 0.00 H new ATOM 0 HD2 ARG A 23 29.940 -2.126 -30.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 28.956 -3.047 -31.146 1.00 0.00 H new ATOM 0 HE ARG A 23 27.645 -0.706 -29.893 1.00 0.00 H new ATOM 0 HH11 ARG A 23 29.385 -2.055 -32.654 1.00 0.00 H new ATOM 0 HH12 ARG A 23 28.821 -0.807 -33.770 1.00 0.00 H new ATOM 0 HH21 ARG A 23 26.909 0.886 -31.328 1.00 0.00 H new ATOM 0 HH22 ARG A 23 27.420 0.857 -33.019 1.00 0.00 H new ATOM 337 N LYS A 24 27.415 -6.136 -27.480 1.00 0.00 N ATOM 338 CA LYS A 24 27.909 -7.506 -27.494 1.00 0.00 C ATOM 339 C LYS A 24 26.753 -8.478 -27.293 1.00 0.00 C ATOM 340 O LYS A 24 26.565 -9.405 -28.080 1.00 0.00 O ATOM 341 CB LYS A 24 28.971 -7.706 -26.411 1.00 0.00 C ATOM 342 CG LYS A 24 29.606 -9.086 -26.420 1.00 0.00 C ATOM 343 CD LYS A 24 30.721 -9.192 -25.392 1.00 0.00 C ATOM 344 CE LYS A 24 31.845 -8.205 -25.677 1.00 0.00 C ATOM 345 NZ LYS A 24 32.481 -8.446 -27.001 1.00 0.00 N ATOM 0 H LYS A 24 27.754 -5.570 -26.702 1.00 0.00 H new ATOM 0 HA LYS A 24 28.369 -7.702 -28.462 1.00 0.00 H new ATOM 0 HB2 LYS A 24 29.752 -6.956 -26.539 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.518 -7.531 -25.435 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.846 -9.839 -26.213 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.003 -9.299 -27.413 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.317 -9.006 -24.397 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.119 -10.207 -25.390 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.451 -7.189 -25.644 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.600 -8.280 -24.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.352 -7.882 -27.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.713 -9.455 -27.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.823 -8.169 -27.758 1.00 0.00 H new ATOM 359 N THR A 25 25.974 -8.248 -26.243 1.00 0.00 N ATOM 360 CA THR A 25 24.784 -9.046 -25.989 1.00 0.00 C ATOM 361 C THR A 25 23.578 -8.429 -26.699 1.00 0.00 C ATOM 362 O THR A 25 22.561 -9.090 -26.919 1.00 0.00 O ATOM 363 CB THR A 25 24.502 -9.178 -24.472 1.00 0.00 C ATOM 364 OG1 THR A 25 23.346 -9.995 -24.244 1.00 0.00 O ATOM 365 CG2 THR A 25 24.296 -7.813 -23.829 1.00 0.00 C ATOM 0 H THR A 25 26.146 -7.515 -25.555 1.00 0.00 H new ATOM 0 HA THR A 25 24.961 -10.047 -26.383 1.00 0.00 H new ATOM 0 HB THR A 25 25.372 -9.650 -24.016 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.183 -10.069 -23.281 1.00 0.00 H new ATOM 0 HG21 THR A 25 24.100 -7.938 -22.764 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.193 -7.208 -23.964 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.448 -7.314 -24.298 1.00 0.00 H new ATOM 373 N GLY A 26 23.710 -7.159 -27.067 1.00 0.00 N ATOM 374 CA GLY A 26 22.659 -6.470 -27.788 1.00 0.00 C ATOM 375 C GLY A 26 21.508 -6.069 -26.892 1.00 0.00 C ATOM 376 O GLY A 26 20.346 -6.251 -27.249 1.00 0.00 O ATOM 0 H GLY A 26 24.535 -6.591 -26.876 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.072 -5.580 -28.263 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.287 -7.114 -28.585 1.00 0.00 H new ATOM 380 N ARG A 27 21.821 -5.523 -25.721 1.00 0.00 N ATOM 381 CA ARG A 27 20.786 -5.134 -24.772 1.00 0.00 C ATOM 382 C ARG A 27 21.090 -3.776 -24.159 1.00 0.00 C ATOM 383 O ARG A 27 22.250 -3.396 -24.004 1.00 0.00 O ATOM 384 CB ARG A 27 20.633 -6.175 -23.659 1.00 0.00 C ATOM 385 CG ARG A 27 20.467 -7.594 -24.169 1.00 0.00 C ATOM 386 CD ARG A 27 19.888 -8.512 -23.106 1.00 0.00 C ATOM 387 NE ARG A 27 18.463 -8.264 -22.887 1.00 0.00 N ATOM 388 CZ ARG A 27 17.499 -8.671 -23.717 1.00 0.00 C ATOM 389 NH1 ARG A 27 17.804 -9.320 -24.838 1.00 0.00 N ATOM 390 NH2 ARG A 27 16.232 -8.424 -23.424 1.00 0.00 N ATOM 0 H ARG A 27 22.775 -5.341 -25.409 1.00 0.00 H new ATOM 0 HA ARG A 27 19.849 -5.072 -25.325 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.508 -6.132 -23.010 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.769 -5.915 -23.047 1.00 0.00 H new ATOM 0 HG2 ARG A 27 19.815 -7.592 -25.042 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.434 -7.979 -24.494 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.034 -9.550 -23.404 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.429 -8.370 -22.170 1.00 0.00 H new ATOM 0 HE ARG A 27 18.189 -7.749 -22.050 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.779 -9.510 -25.068 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.062 -9.628 -25.467 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.995 -7.924 -22.567 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.493 -8.733 -24.055 1.00 0.00 H new ATOM 404 N TYR A 28 20.035 -3.058 -23.812 1.00 0.00 N ATOM 405 CA TYR A 28 20.157 -1.753 -23.178 1.00 0.00 C ATOM 406 C TYR A 28 20.089 -1.940 -21.666 1.00 0.00 C ATOM 407 O TYR A 28 19.013 -2.145 -21.106 1.00 0.00 O ATOM 408 CB TYR A 28 19.036 -0.833 -23.675 1.00 0.00 C ATOM 409 CG TYR A 28 19.273 0.643 -23.431 1.00 0.00 C ATOM 410 CD1 TYR A 28 20.481 1.240 -23.768 1.00 0.00 C ATOM 411 CD2 TYR A 28 18.280 1.444 -22.886 1.00 0.00 C ATOM 412 CE1 TYR A 28 20.695 2.590 -23.565 1.00 0.00 C ATOM 413 CE2 TYR A 28 18.486 2.795 -22.679 1.00 0.00 C ATOM 414 CZ TYR A 28 19.695 3.363 -23.019 1.00 0.00 C ATOM 415 OH TYR A 28 19.902 4.709 -22.813 1.00 0.00 O ATOM 0 H TYR A 28 19.072 -3.361 -23.961 1.00 0.00 H new ATOM 0 HA TYR A 28 21.109 -1.289 -23.435 1.00 0.00 H new ATOM 0 HB2 TYR A 28 18.901 -0.993 -24.745 1.00 0.00 H new ATOM 0 HB3 TYR A 28 18.104 -1.123 -23.189 1.00 0.00 H new ATOM 0 HD1 TYR A 28 21.268 0.638 -24.197 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.330 1.005 -22.619 1.00 0.00 H new ATOM 0 HE1 TYR A 28 21.641 3.036 -23.833 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.702 3.403 -22.252 1.00 0.00 H new ATOM 0 HH TYR A 28 19.109 5.101 -22.393 1.00 0.00 H new ATOM 425 N ILE A 29 21.247 -1.900 -21.018 1.00 0.00 N ATOM 426 CA ILE A 29 21.360 -2.309 -19.622 1.00 0.00 C ATOM 427 C ILE A 29 22.012 -1.235 -18.756 1.00 0.00 C ATOM 428 O ILE A 29 22.392 -0.174 -19.243 1.00 0.00 O ATOM 429 CB ILE A 29 22.155 -3.633 -19.505 1.00 0.00 C ATOM 430 CG1 ILE A 29 23.437 -3.582 -20.352 1.00 0.00 C ATOM 431 CG2 ILE A 29 21.288 -4.812 -19.924 1.00 0.00 C ATOM 432 CD1 ILE A 29 24.608 -2.905 -19.671 1.00 0.00 C ATOM 0 H ILE A 29 22.123 -1.588 -21.437 1.00 0.00 H new ATOM 0 HA ILE A 29 20.346 -2.461 -19.253 1.00 0.00 H new ATOM 0 HB ILE A 29 22.443 -3.764 -18.462 1.00 0.00 H new ATOM 0 HG12 ILE A 29 23.724 -4.600 -20.616 1.00 0.00 H new ATOM 0 HG13 ILE A 29 23.222 -3.059 -21.284 1.00 0.00 H new ATOM 0 HG21 ILE A 29 21.861 -5.735 -19.836 1.00 0.00 H new ATOM 0 HG22 ILE A 29 20.411 -4.867 -19.278 1.00 0.00 H new ATOM 0 HG23 ILE A 29 20.969 -4.680 -20.958 1.00 0.00 H new ATOM 0 HD11 ILE A 29 25.470 -2.913 -20.337 1.00 0.00 H new ATOM 0 HD12 ILE A 29 24.344 -1.875 -19.431 1.00 0.00 H new ATOM 0 HD13 ILE A 29 24.854 -3.439 -18.753 1.00 0.00 H new ATOM 444 N VAL A 30 22.152 -1.530 -17.470 1.00 0.00 N ATOM 445 CA VAL A 30 22.692 -0.569 -16.519 1.00 0.00 C ATOM 446 C VAL A 30 24.219 -0.564 -16.526 1.00 0.00 C ATOM 447 O VAL A 30 24.863 -1.609 -16.650 1.00 0.00 O ATOM 448 CB VAL A 30 22.184 -0.843 -15.086 1.00 0.00 C ATOM 449 CG1 VAL A 30 20.670 -0.720 -15.029 1.00 0.00 C ATOM 450 CG2 VAL A 30 22.627 -2.216 -14.598 1.00 0.00 C ATOM 0 H VAL A 30 21.898 -2.430 -17.062 1.00 0.00 H new ATOM 0 HA VAL A 30 22.339 0.412 -16.836 1.00 0.00 H new ATOM 0 HB VAL A 30 22.621 -0.096 -14.424 1.00 0.00 H new ATOM 0 HG11 VAL A 30 20.327 -0.916 -14.013 1.00 0.00 H new ATOM 0 HG12 VAL A 30 20.375 0.287 -15.324 1.00 0.00 H new ATOM 0 HG13 VAL A 30 20.220 -1.443 -15.709 1.00 0.00 H new ATOM 0 HG21 VAL A 30 22.255 -2.380 -13.587 1.00 0.00 H new ATOM 0 HG22 VAL A 30 22.228 -2.984 -15.261 1.00 0.00 H new ATOM 0 HG23 VAL A 30 23.716 -2.268 -14.597 1.00 0.00 H new ATOM 460 N ARG A 31 24.788 0.624 -16.397 1.00 0.00 N ATOM 461 CA ARG A 31 26.231 0.800 -16.367 1.00 0.00 C ATOM 462 C ARG A 31 26.610 1.786 -15.270 1.00 0.00 C ATOM 463 O ARG A 31 26.008 2.849 -15.147 1.00 0.00 O ATOM 464 CB ARG A 31 26.740 1.316 -17.721 1.00 0.00 C ATOM 465 CG ARG A 31 26.597 0.325 -18.870 1.00 0.00 C ATOM 466 CD ARG A 31 27.646 -0.779 -18.810 1.00 0.00 C ATOM 467 NE ARG A 31 27.490 -1.644 -17.642 1.00 0.00 N ATOM 468 CZ ARG A 31 28.509 -2.220 -17.004 1.00 0.00 C ATOM 469 NH1 ARG A 31 29.757 -2.023 -17.420 1.00 0.00 N ATOM 470 NH2 ARG A 31 28.277 -3.001 -15.957 1.00 0.00 N ATOM 0 H ARG A 31 24.262 1.494 -16.310 1.00 0.00 H new ATOM 0 HA ARG A 31 26.693 -0.166 -16.163 1.00 0.00 H new ATOM 0 HB2 ARG A 31 26.199 2.227 -17.975 1.00 0.00 H new ATOM 0 HB3 ARG A 31 27.791 1.587 -17.620 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.602 -0.119 -18.843 1.00 0.00 H new ATOM 0 HG3 ARG A 31 26.684 0.855 -19.818 1.00 0.00 H new ATOM 0 HD2 ARG A 31 27.584 -1.383 -19.715 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.639 -0.330 -18.794 1.00 0.00 H new ATOM 0 HE ARG A 31 26.547 -1.817 -17.295 1.00 0.00 H new ATOM 0 HH11 ARG A 31 29.937 -1.429 -18.230 1.00 0.00 H new ATOM 0 HH12 ARG A 31 30.534 -2.465 -16.929 1.00 0.00 H new ATOM 0 HH21 ARG A 31 27.320 -3.160 -15.641 1.00 0.00 H new ATOM 0 HH22 ARG A 31 29.055 -3.443 -15.468 1.00 0.00 H new ATOM 484 N PHE A 32 27.599 1.430 -14.470 1.00 0.00 N ATOM 485 CA PHE A 32 28.081 2.315 -13.418 1.00 0.00 C ATOM 486 C PHE A 32 29.483 2.785 -13.763 1.00 0.00 C ATOM 487 O PHE A 32 30.288 3.121 -12.894 1.00 0.00 O ATOM 488 CB PHE A 32 28.055 1.595 -12.071 1.00 0.00 C ATOM 489 CG PHE A 32 26.677 1.137 -11.690 1.00 0.00 C ATOM 490 CD1 PHE A 32 25.776 2.021 -11.121 1.00 0.00 C ATOM 491 CD2 PHE A 32 26.277 -0.169 -11.921 1.00 0.00 C ATOM 492 CE1 PHE A 32 24.502 1.609 -10.785 1.00 0.00 C ATOM 493 CE2 PHE A 32 25.003 -0.584 -11.591 1.00 0.00 C ATOM 494 CZ PHE A 32 24.115 0.306 -11.022 1.00 0.00 C ATOM 0 H PHE A 32 28.086 0.535 -14.526 1.00 0.00 H new ATOM 0 HA PHE A 32 27.430 3.186 -13.342 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.723 0.734 -12.110 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.439 2.262 -11.299 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.073 3.043 -10.938 1.00 0.00 H new ATOM 0 HD2 PHE A 32 26.969 -0.870 -12.364 1.00 0.00 H new ATOM 0 HE1 PHE A 32 23.809 2.306 -10.337 1.00 0.00 H new ATOM 0 HE2 PHE A 32 24.701 -1.604 -11.778 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.118 -0.017 -10.762 1.00 0.00 H new ATOM 504 N SER A 33 29.751 2.805 -15.056 1.00 0.00 N ATOM 505 CA SER A 33 31.036 3.213 -15.578 1.00 0.00 C ATOM 506 C SER A 33 30.859 3.780 -16.979 1.00 0.00 C ATOM 507 O SER A 33 30.446 3.068 -17.895 1.00 0.00 O ATOM 508 CB SER A 33 31.992 2.014 -15.607 1.00 0.00 C ATOM 509 OG SER A 33 33.229 2.350 -16.208 1.00 0.00 O ATOM 0 H SER A 33 29.078 2.537 -15.774 1.00 0.00 H new ATOM 0 HA SER A 33 31.461 3.983 -14.934 1.00 0.00 H new ATOM 0 HB2 SER A 33 32.165 1.660 -14.590 1.00 0.00 H new ATOM 0 HB3 SER A 33 31.531 1.193 -16.156 1.00 0.00 H new ATOM 0 HG SER A 33 33.816 1.565 -16.209 1.00 0.00 H new ATOM 515 N GLU A 34 31.129 5.067 -17.136 1.00 0.00 N ATOM 516 CA GLU A 34 31.111 5.690 -18.452 1.00 0.00 C ATOM 517 C GLU A 34 32.290 5.185 -19.269 1.00 0.00 C ATOM 518 O GLU A 34 32.223 5.075 -20.493 1.00 0.00 O ATOM 519 CB GLU A 34 31.164 7.211 -18.332 1.00 0.00 C ATOM 520 CG GLU A 34 29.969 7.811 -17.612 1.00 0.00 C ATOM 521 CD GLU A 34 30.040 9.321 -17.542 1.00 0.00 C ATOM 522 OE1 GLU A 34 29.642 9.985 -18.520 1.00 0.00 O ATOM 523 OE2 GLU A 34 30.503 9.854 -16.511 1.00 0.00 O ATOM 0 H GLU A 34 31.363 5.700 -16.371 1.00 0.00 H new ATOM 0 HA GLU A 34 30.182 5.423 -18.955 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.074 7.493 -17.803 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.229 7.643 -19.331 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.053 7.516 -18.124 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.915 7.405 -16.602 1.00 0.00 H new ATOM 530 N ASP A 35 33.360 4.844 -18.560 1.00 0.00 N ATOM 531 CA ASP A 35 34.580 4.331 -19.173 1.00 0.00 C ATOM 532 C ASP A 35 34.353 2.932 -19.738 1.00 0.00 C ATOM 533 O ASP A 35 35.178 2.413 -20.493 1.00 0.00 O ATOM 534 CB ASP A 35 35.712 4.284 -18.143 1.00 0.00 C ATOM 535 CG ASP A 35 36.048 5.643 -17.557 1.00 0.00 C ATOM 536 OD1 ASP A 35 35.395 6.054 -16.570 1.00 0.00 O ATOM 537 OD2 ASP A 35 36.985 6.296 -18.058 1.00 0.00 O ATOM 0 H ASP A 35 33.406 4.915 -17.544 1.00 0.00 H new ATOM 0 HA ASP A 35 34.857 5.002 -19.986 1.00 0.00 H new ATOM 0 HB2 ASP A 35 35.431 3.607 -17.336 1.00 0.00 H new ATOM 0 HB3 ASP A 35 36.604 3.868 -18.612 1.00 0.00 H new ATOM 542 N SER A 36 33.229 2.330 -19.361 1.00 0.00 N ATOM 543 CA SER A 36 32.866 0.996 -19.820 1.00 0.00 C ATOM 544 C SER A 36 32.717 0.967 -21.339 1.00 0.00 C ATOM 545 O SER A 36 33.008 -0.044 -21.979 1.00 0.00 O ATOM 546 CB SER A 36 31.562 0.554 -19.145 1.00 0.00 C ATOM 547 OG SER A 36 31.175 -0.754 -19.538 1.00 0.00 O ATOM 0 H SER A 36 32.547 2.753 -18.731 1.00 0.00 H new ATOM 0 HA SER A 36 33.662 0.303 -19.547 1.00 0.00 H new ATOM 0 HB2 SER A 36 31.686 0.585 -18.063 1.00 0.00 H new ATOM 0 HB3 SER A 36 30.768 1.257 -19.396 1.00 0.00 H new ATOM 0 HG SER A 36 30.375 -0.703 -20.102 1.00 0.00 H new ATOM 553 N PHE A 37 32.273 2.077 -21.915 1.00 0.00 N ATOM 554 CA PHE A 37 32.122 2.173 -23.356 1.00 0.00 C ATOM 555 C PHE A 37 33.033 3.255 -23.917 1.00 0.00 C ATOM 556 O PHE A 37 32.714 4.443 -23.870 1.00 0.00 O ATOM 557 CB PHE A 37 30.666 2.449 -23.741 1.00 0.00 C ATOM 558 CG PHE A 37 29.727 1.327 -23.394 1.00 0.00 C ATOM 559 CD1 PHE A 37 29.885 0.074 -23.965 1.00 0.00 C ATOM 560 CD2 PHE A 37 28.689 1.525 -22.500 1.00 0.00 C ATOM 561 CE1 PHE A 37 29.024 -0.960 -23.651 1.00 0.00 C ATOM 562 CE2 PHE A 37 27.825 0.496 -22.182 1.00 0.00 C ATOM 563 CZ PHE A 37 27.992 -0.748 -22.759 1.00 0.00 C ATOM 0 H PHE A 37 32.012 2.921 -21.405 1.00 0.00 H new ATOM 0 HA PHE A 37 32.410 1.215 -23.788 1.00 0.00 H new ATOM 0 HB2 PHE A 37 30.333 3.358 -23.240 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.612 2.638 -24.813 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.691 -0.096 -24.664 1.00 0.00 H new ATOM 0 HD2 PHE A 37 28.553 2.495 -22.046 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.158 -1.932 -24.102 1.00 0.00 H new ATOM 0 HE2 PHE A 37 27.019 0.664 -21.483 1.00 0.00 H new ATOM 0 HZ PHE A 37 27.316 -1.554 -22.513 1.00 0.00 H new ATOM 573 N GLY A 38 34.183 2.833 -24.418 1.00 0.00 N ATOM 574 CA GLY A 38 35.116 3.756 -25.026 1.00 0.00 C ATOM 575 C GLY A 38 35.467 3.346 -26.438 1.00 0.00 C ATOM 576 O GLY A 38 36.435 3.838 -27.017 1.00 0.00 O ATOM 0 H GLY A 38 34.488 1.860 -24.414 1.00 0.00 H new ATOM 0 HA2 GLY A 38 34.685 4.757 -25.034 1.00 0.00 H new ATOM 0 HA3 GLY A 38 36.024 3.805 -24.425 1.00 0.00 H new ATOM 580 N MET A 39 34.678 2.432 -26.986 1.00 0.00 N ATOM 581 CA MET A 39 34.882 1.954 -28.344 1.00 0.00 C ATOM 582 C MET A 39 33.548 1.550 -28.961 1.00 0.00 C ATOM 583 O MET A 39 32.730 0.904 -28.301 1.00 0.00 O ATOM 584 CB MET A 39 35.851 0.765 -28.365 1.00 0.00 C ATOM 585 CG MET A 39 35.332 -0.474 -27.645 1.00 0.00 C ATOM 586 SD MET A 39 36.438 -1.891 -27.805 1.00 0.00 S ATOM 587 CE MET A 39 37.872 -1.307 -26.904 1.00 0.00 C ATOM 0 H MET A 39 33.886 2.005 -26.506 1.00 0.00 H new ATOM 0 HA MET A 39 35.318 2.763 -28.930 1.00 0.00 H new ATOM 0 HB2 MET A 39 36.068 0.506 -29.401 1.00 0.00 H new ATOM 0 HB3 MET A 39 36.793 1.070 -27.908 1.00 0.00 H new ATOM 0 HG2 MET A 39 35.195 -0.244 -26.589 1.00 0.00 H new ATOM 0 HG3 MET A 39 34.352 -0.737 -28.044 1.00 0.00 H new ATOM 0 HE1 MET A 39 38.530 -2.147 -26.683 1.00 0.00 H new ATOM 0 HE2 MET A 39 38.408 -0.576 -27.508 1.00 0.00 H new ATOM 0 HE3 MET A 39 37.551 -0.842 -25.972 1.00 0.00 H new ATOM 597 N ASP A 40 33.335 1.959 -30.214 1.00 0.00 N ATOM 598 CA ASP A 40 32.125 1.632 -30.986 1.00 0.00 C ATOM 599 C ASP A 40 30.884 2.333 -30.446 1.00 0.00 C ATOM 600 O ASP A 40 30.203 3.052 -31.174 1.00 0.00 O ATOM 601 CB ASP A 40 31.880 0.119 -31.041 1.00 0.00 C ATOM 602 CG ASP A 40 32.784 -0.582 -32.030 1.00 0.00 C ATOM 603 OD1 ASP A 40 32.592 -0.391 -33.250 1.00 0.00 O ATOM 604 OD2 ASP A 40 33.675 -1.340 -31.600 1.00 0.00 O ATOM 0 H ASP A 40 34.002 2.533 -30.730 1.00 0.00 H new ATOM 0 HA ASP A 40 32.307 1.997 -31.997 1.00 0.00 H new ATOM 0 HB2 ASP A 40 32.034 -0.306 -30.049 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.840 -0.067 -31.310 1.00 0.00 H new ATOM 609 N VAL A 41 30.596 2.115 -29.177 1.00 0.00 N ATOM 610 CA VAL A 41 29.406 2.662 -28.546 1.00 0.00 C ATOM 611 C VAL A 41 29.591 4.145 -28.253 1.00 0.00 C ATOM 612 O VAL A 41 30.561 4.543 -27.607 1.00 0.00 O ATOM 613 CB VAL A 41 29.077 1.923 -27.231 1.00 0.00 C ATOM 614 CG1 VAL A 41 27.749 2.400 -26.657 1.00 0.00 C ATOM 615 CG2 VAL A 41 29.061 0.417 -27.451 1.00 0.00 C ATOM 0 H VAL A 41 31.178 1.555 -28.554 1.00 0.00 H new ATOM 0 HA VAL A 41 28.578 2.527 -29.241 1.00 0.00 H new ATOM 0 HB VAL A 41 29.859 2.154 -26.507 1.00 0.00 H new ATOM 0 HG11 VAL A 41 27.540 1.865 -25.731 1.00 0.00 H new ATOM 0 HG12 VAL A 41 27.804 3.469 -26.453 1.00 0.00 H new ATOM 0 HG13 VAL A 41 26.952 2.208 -27.375 1.00 0.00 H new ATOM 0 HG21 VAL A 41 28.827 -0.085 -26.512 1.00 0.00 H new ATOM 0 HG22 VAL A 41 28.305 0.166 -28.195 1.00 0.00 H new ATOM 0 HG23 VAL A 41 30.039 0.090 -27.803 1.00 0.00 H new ATOM 625 N ALA A 42 28.665 4.956 -28.741 1.00 0.00 N ATOM 626 CA ALA A 42 28.706 6.387 -28.498 1.00 0.00 C ATOM 627 C ALA A 42 28.282 6.699 -27.068 1.00 0.00 C ATOM 628 O ALA A 42 27.449 5.996 -26.494 1.00 0.00 O ATOM 629 CB ALA A 42 27.811 7.119 -29.487 1.00 0.00 C ATOM 0 H ALA A 42 27.876 4.646 -29.308 1.00 0.00 H new ATOM 0 HA ALA A 42 29.731 6.730 -28.637 1.00 0.00 H new ATOM 0 HB1 ALA A 42 27.853 8.191 -29.292 1.00 0.00 H new ATOM 0 HB2 ALA A 42 28.154 6.922 -30.503 1.00 0.00 H new ATOM 0 HB3 ALA A 42 26.784 6.770 -29.376 1.00 0.00 H new ATOM 635 N ASP A 43 28.843 7.762 -26.505 1.00 0.00 N ATOM 636 CA ASP A 43 28.535 8.162 -25.131 1.00 0.00 C ATOM 637 C ASP A 43 27.097 8.666 -25.027 1.00 0.00 C ATOM 638 O ASP A 43 26.544 8.790 -23.937 1.00 0.00 O ATOM 639 CB ASP A 43 29.516 9.235 -24.642 1.00 0.00 C ATOM 640 CG ASP A 43 29.326 10.575 -25.326 1.00 0.00 C ATOM 641 OD1 ASP A 43 29.530 10.660 -26.557 1.00 0.00 O ATOM 642 OD2 ASP A 43 28.988 11.557 -24.636 1.00 0.00 O ATOM 0 H ASP A 43 29.516 8.366 -26.977 1.00 0.00 H new ATOM 0 HA ASP A 43 28.641 7.286 -24.492 1.00 0.00 H new ATOM 0 HB2 ASP A 43 29.397 9.364 -23.566 1.00 0.00 H new ATOM 0 HB3 ASP A 43 30.536 8.890 -24.811 1.00 0.00 H new ATOM 647 N ASP A 44 26.491 8.934 -26.180 1.00 0.00 N ATOM 648 CA ASP A 44 25.082 9.313 -26.247 1.00 0.00 C ATOM 649 C ASP A 44 24.195 8.125 -25.874 1.00 0.00 C ATOM 650 O ASP A 44 23.058 8.289 -25.430 1.00 0.00 O ATOM 651 CB ASP A 44 24.736 9.813 -27.654 1.00 0.00 C ATOM 652 CG ASP A 44 23.255 10.097 -27.833 1.00 0.00 C ATOM 653 OD1 ASP A 44 22.787 11.163 -27.383 1.00 0.00 O ATOM 654 OD2 ASP A 44 22.555 9.257 -28.440 1.00 0.00 O ATOM 0 H ASP A 44 26.957 8.895 -27.087 1.00 0.00 H new ATOM 0 HA ASP A 44 24.902 10.118 -25.535 1.00 0.00 H new ATOM 0 HB2 ASP A 44 25.302 10.721 -27.861 1.00 0.00 H new ATOM 0 HB3 ASP A 44 25.049 9.068 -28.386 1.00 0.00 H new ATOM 659 N SER A 45 24.739 6.923 -26.031 1.00 0.00 N ATOM 660 CA SER A 45 24.019 5.706 -25.692 1.00 0.00 C ATOM 661 C SER A 45 24.093 5.450 -24.188 1.00 0.00 C ATOM 662 O SER A 45 23.534 4.475 -23.687 1.00 0.00 O ATOM 663 CB SER A 45 24.597 4.517 -26.469 1.00 0.00 C ATOM 664 OG SER A 45 23.874 3.325 -26.208 1.00 0.00 O ATOM 0 H SER A 45 25.680 6.768 -26.393 1.00 0.00 H new ATOM 0 HA SER A 45 22.972 5.827 -25.970 1.00 0.00 H new ATOM 0 HB2 SER A 45 24.572 4.732 -27.537 1.00 0.00 H new ATOM 0 HB3 SER A 45 25.643 4.377 -26.196 1.00 0.00 H new ATOM 0 HG SER A 45 23.580 3.319 -25.273 1.00 0.00 H new ATOM 670 N ILE A 46 24.790 6.334 -23.483 1.00 0.00 N ATOM 671 CA ILE A 46 24.916 6.246 -22.039 1.00 0.00 C ATOM 672 C ILE A 46 24.171 7.405 -21.386 1.00 0.00 C ATOM 673 O ILE A 46 24.639 8.543 -21.399 1.00 0.00 O ATOM 674 CB ILE A 46 26.396 6.276 -21.595 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.193 5.180 -22.309 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.503 6.113 -20.086 1.00 0.00 C ATOM 677 CD1 ILE A 46 28.678 5.215 -22.011 1.00 0.00 C ATOM 0 H ILE A 46 25.280 7.127 -23.897 1.00 0.00 H new ATOM 0 HA ILE A 46 24.484 5.296 -21.724 1.00 0.00 H new ATOM 0 HB ILE A 46 26.818 7.243 -21.869 1.00 0.00 H new ATOM 0 HG12 ILE A 46 26.796 4.207 -22.019 1.00 0.00 H new ATOM 0 HG13 ILE A 46 27.045 5.277 -23.384 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.552 6.136 -19.791 1.00 0.00 H new ATOM 0 HG22 ILE A 46 25.969 6.926 -19.593 1.00 0.00 H new ATOM 0 HG23 ILE A 46 26.064 5.160 -19.791 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.177 4.410 -22.551 1.00 0.00 H new ATOM 0 HD12 ILE A 46 29.090 6.173 -22.327 1.00 0.00 H new ATOM 0 HD13 ILE A 46 28.837 5.087 -20.940 1.00 0.00 H new ATOM 689 N THR A 47 23.001 7.120 -20.845 1.00 0.00 N ATOM 690 CA THR A 47 22.183 8.146 -20.221 1.00 0.00 C ATOM 691 C THR A 47 21.947 7.825 -18.745 1.00 0.00 C ATOM 692 O THR A 47 21.534 6.716 -18.406 1.00 0.00 O ATOM 693 CB THR A 47 20.829 8.282 -20.951 1.00 0.00 C ATOM 694 OG1 THR A 47 21.053 8.539 -22.346 1.00 0.00 O ATOM 695 CG2 THR A 47 19.989 9.405 -20.357 1.00 0.00 C ATOM 0 H THR A 47 22.594 6.185 -20.825 1.00 0.00 H new ATOM 0 HA THR A 47 22.718 9.093 -20.293 1.00 0.00 H new ATOM 0 HB THR A 47 20.285 7.346 -20.828 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.192 8.623 -22.806 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.043 9.474 -20.893 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.795 9.197 -19.305 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.527 10.349 -20.447 1.00 0.00 H new ATOM 703 N PRO A 48 22.238 8.780 -17.845 1.00 0.00 N ATOM 704 CA PRO A 48 21.974 8.622 -16.413 1.00 0.00 C ATOM 705 C PRO A 48 20.483 8.453 -16.137 1.00 0.00 C ATOM 706 O PRO A 48 19.656 9.183 -16.687 1.00 0.00 O ATOM 707 CB PRO A 48 22.495 9.926 -15.795 1.00 0.00 C ATOM 708 CG PRO A 48 22.558 10.897 -16.924 1.00 0.00 C ATOM 709 CD PRO A 48 22.851 10.084 -18.153 1.00 0.00 C ATOM 0 HA PRO A 48 22.453 7.734 -16.000 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.831 10.281 -15.007 1.00 0.00 H new ATOM 0 HB3 PRO A 48 23.477 9.783 -15.344 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.616 11.436 -17.028 1.00 0.00 H new ATOM 0 HG3 PRO A 48 23.335 11.642 -16.755 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.416 10.533 -19.046 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.923 9.994 -18.331 1.00 0.00 H new ATOM 717 N THR A 49 20.143 7.504 -15.273 1.00 0.00 N ATOM 718 CA THR A 49 18.747 7.161 -15.021 1.00 0.00 C ATOM 719 C THR A 49 17.974 8.329 -14.401 1.00 0.00 C ATOM 720 O THR A 49 16.747 8.358 -14.454 1.00 0.00 O ATOM 721 CB THR A 49 18.619 5.909 -14.123 1.00 0.00 C ATOM 722 OG1 THR A 49 17.236 5.588 -13.912 1.00 0.00 O ATOM 723 CG2 THR A 49 19.306 6.119 -12.782 1.00 0.00 C ATOM 0 H THR A 49 20.815 6.957 -14.734 1.00 0.00 H new ATOM 0 HA THR A 49 18.306 6.937 -15.992 1.00 0.00 H new ATOM 0 HB THR A 49 19.110 5.081 -14.635 1.00 0.00 H new ATOM 0 HG1 THR A 49 16.680 6.354 -14.166 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.198 5.221 -12.173 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.364 6.323 -12.943 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.848 6.963 -12.267 1.00 0.00 H new ATOM 731 N SER A 50 18.692 9.291 -13.832 1.00 0.00 N ATOM 732 CA SER A 50 18.063 10.469 -13.245 1.00 0.00 C ATOM 733 C SER A 50 17.360 11.298 -14.321 1.00 0.00 C ATOM 734 O SER A 50 16.305 11.880 -14.083 1.00 0.00 O ATOM 735 CB SER A 50 19.123 11.314 -12.544 1.00 0.00 C ATOM 736 OG SER A 50 20.087 10.484 -11.916 1.00 0.00 O ATOM 0 H SER A 50 19.710 9.279 -13.765 1.00 0.00 H new ATOM 0 HA SER A 50 17.316 10.146 -12.520 1.00 0.00 H new ATOM 0 HB2 SER A 50 19.612 11.967 -13.267 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.651 11.958 -11.802 1.00 0.00 H new ATOM 0 HG SER A 50 19.702 10.091 -11.105 1.00 0.00 H new ATOM 742 N GLU A 51 17.955 11.335 -15.508 1.00 0.00 N ATOM 743 CA GLU A 51 17.402 12.084 -16.629 1.00 0.00 C ATOM 744 C GLU A 51 16.653 11.146 -17.570 1.00 0.00 C ATOM 745 O GLU A 51 15.768 11.561 -18.317 1.00 0.00 O ATOM 746 CB GLU A 51 18.534 12.796 -17.380 1.00 0.00 C ATOM 747 CG GLU A 51 18.070 13.633 -18.561 1.00 0.00 C ATOM 748 CD GLU A 51 19.218 14.315 -19.276 1.00 0.00 C ATOM 749 OE1 GLU A 51 19.795 13.705 -20.201 1.00 0.00 O ATOM 750 OE2 GLU A 51 19.547 15.465 -18.912 1.00 0.00 O ATOM 0 H GLU A 51 18.827 10.851 -15.719 1.00 0.00 H new ATOM 0 HA GLU A 51 16.701 12.828 -16.251 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.070 13.439 -16.682 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.245 12.050 -17.735 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.535 12.996 -19.265 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.364 14.387 -18.213 1.00 0.00 H new ATOM 757 N PHE A 52 17.004 9.870 -17.498 1.00 0.00 N ATOM 758 CA PHE A 52 16.464 8.856 -18.397 1.00 0.00 C ATOM 759 C PHE A 52 14.955 8.683 -18.224 1.00 0.00 C ATOM 760 O PHE A 52 14.264 8.242 -19.142 1.00 0.00 O ATOM 761 CB PHE A 52 17.180 7.525 -18.148 1.00 0.00 C ATOM 762 CG PHE A 52 16.791 6.436 -19.106 1.00 0.00 C ATOM 763 CD1 PHE A 52 17.179 6.501 -20.434 1.00 0.00 C ATOM 764 CD2 PHE A 52 16.039 5.350 -18.681 1.00 0.00 C ATOM 765 CE1 PHE A 52 16.825 5.507 -21.321 1.00 0.00 C ATOM 766 CE2 PHE A 52 15.684 4.352 -19.565 1.00 0.00 C ATOM 767 CZ PHE A 52 16.076 4.432 -20.886 1.00 0.00 C ATOM 0 H PHE A 52 17.670 9.507 -16.816 1.00 0.00 H new ATOM 0 HA PHE A 52 16.636 9.186 -19.422 1.00 0.00 H new ATOM 0 HB2 PHE A 52 18.256 7.685 -18.213 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.968 7.194 -17.131 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.766 7.340 -20.778 1.00 0.00 H new ATOM 0 HD2 PHE A 52 15.729 5.285 -17.649 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.133 5.569 -22.354 1.00 0.00 H new ATOM 0 HE2 PHE A 52 15.100 3.510 -19.224 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.797 3.653 -21.580 1.00 0.00 H new ATOM 777 N VAL A 53 14.443 9.039 -17.054 1.00 0.00 N ATOM 778 CA VAL A 53 13.026 8.860 -16.770 1.00 0.00 C ATOM 779 C VAL A 53 12.203 10.039 -17.281 1.00 0.00 C ATOM 780 O VAL A 53 10.978 10.045 -17.171 1.00 0.00 O ATOM 781 CB VAL A 53 12.759 8.676 -15.261 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.634 7.580 -14.683 1.00 0.00 C ATOM 783 CG2 VAL A 53 12.965 9.978 -14.502 1.00 0.00 C ATOM 0 H VAL A 53 14.982 9.450 -16.292 1.00 0.00 H new ATOM 0 HA VAL A 53 12.722 7.953 -17.293 1.00 0.00 H new ATOM 0 HB VAL A 53 11.717 8.379 -15.146 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.426 7.471 -13.619 1.00 0.00 H new ATOM 0 HG12 VAL A 53 13.423 6.640 -15.192 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.683 7.840 -14.822 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.769 9.816 -13.442 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.992 10.317 -14.634 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.281 10.735 -14.886 1.00 0.00 H new ATOM 793 N TRP A 54 12.874 11.033 -17.843 1.00 0.00 N ATOM 794 CA TRP A 54 12.196 12.219 -18.337 1.00 0.00 C ATOM 795 C TRP A 54 12.196 12.246 -19.856 1.00 0.00 C ATOM 796 O TRP A 54 13.250 12.232 -20.490 1.00 0.00 O ATOM 797 CB TRP A 54 12.858 13.484 -17.793 1.00 0.00 C ATOM 798 CG TRP A 54 12.840 13.562 -16.299 1.00 0.00 C ATOM 799 CD1 TRP A 54 13.907 13.433 -15.460 1.00 0.00 C ATOM 800 CD2 TRP A 54 11.695 13.770 -15.466 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.498 13.557 -14.156 1.00 0.00 N ATOM 802 CE2 TRP A 54 12.144 13.764 -14.133 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.334 13.965 -15.719 1.00 0.00 C ATOM 804 CZ2 TRP A 54 11.280 13.943 -13.056 1.00 0.00 C ATOM 805 CZ3 TRP A 54 9.478 14.143 -14.649 1.00 0.00 C ATOM 806 CH2 TRP A 54 9.954 14.131 -13.333 1.00 0.00 C ATOM 0 H TRP A 54 13.886 11.041 -17.968 1.00 0.00 H new ATOM 0 HA TRP A 54 11.164 12.185 -17.989 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.890 13.524 -18.140 1.00 0.00 H new ATOM 0 HB3 TRP A 54 12.350 14.357 -18.202 1.00 0.00 H new ATOM 0 HD1 TRP A 54 14.925 13.259 -15.776 1.00 0.00 H new ATOM 0 HE1 TRP A 54 14.104 13.504 -13.337 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.959 13.976 -16.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.644 13.934 -12.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.424 14.294 -14.831 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.259 14.273 -12.519 1.00 0.00 H new ATOM 817 N SER A 55 11.011 12.276 -20.439 1.00 0.00 N ATOM 818 CA SER A 55 10.878 12.323 -21.883 1.00 0.00 C ATOM 819 C SER A 55 10.307 13.670 -22.322 1.00 0.00 C ATOM 820 O SER A 55 9.286 14.125 -21.799 1.00 0.00 O ATOM 821 CB SER A 55 9.989 11.176 -22.359 1.00 0.00 C ATOM 822 OG SER A 55 10.524 9.922 -21.962 1.00 0.00 O ATOM 0 H SER A 55 10.125 12.269 -19.933 1.00 0.00 H new ATOM 0 HA SER A 55 11.864 12.211 -22.335 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.986 11.294 -21.949 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.896 11.209 -23.445 1.00 0.00 H new ATOM 0 HG SER A 55 9.938 9.202 -22.276 1.00 0.00 H new ATOM 828 N SER A 56 10.980 14.311 -23.269 1.00 0.00 N ATOM 829 CA SER A 56 10.568 15.622 -23.749 1.00 0.00 C ATOM 830 C SER A 56 9.281 15.527 -24.567 1.00 0.00 C ATOM 831 O SER A 56 9.246 14.891 -25.621 1.00 0.00 O ATOM 832 CB SER A 56 11.685 16.240 -24.591 1.00 0.00 C ATOM 833 OG SER A 56 12.909 16.265 -23.872 1.00 0.00 O ATOM 0 H SER A 56 11.817 13.942 -23.721 1.00 0.00 H new ATOM 0 HA SER A 56 10.373 16.259 -22.886 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.811 15.669 -25.511 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.409 17.254 -24.881 1.00 0.00 H new ATOM 0 HG SER A 56 13.609 16.663 -24.431 1.00 0.00 H new ATOM 839 N VAL A 57 8.222 16.148 -24.062 1.00 0.00 N ATOM 840 CA VAL A 57 6.948 16.193 -24.771 1.00 0.00 C ATOM 841 C VAL A 57 6.637 17.622 -25.194 1.00 0.00 C ATOM 842 O VAL A 57 5.612 17.897 -25.817 1.00 0.00 O ATOM 843 CB VAL A 57 5.788 15.662 -23.903 1.00 0.00 C ATOM 844 CG1 VAL A 57 6.033 14.216 -23.504 1.00 0.00 C ATOM 845 CG2 VAL A 57 5.592 16.536 -22.672 1.00 0.00 C ATOM 0 H VAL A 57 8.220 16.629 -23.162 1.00 0.00 H new ATOM 0 HA VAL A 57 7.042 15.552 -25.648 1.00 0.00 H new ATOM 0 HB VAL A 57 4.874 15.701 -24.496 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.203 13.862 -22.893 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.113 13.600 -24.400 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.959 14.148 -22.933 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.769 16.143 -22.074 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.505 16.536 -22.077 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.361 17.555 -22.982 1.00 0.00 H new ATOM 855 N ARG A 58 7.534 18.522 -24.834 1.00 0.00 N ATOM 856 CA ARG A 58 7.379 19.934 -25.125 1.00 0.00 C ATOM 857 C ARG A 58 8.768 20.537 -25.320 1.00 0.00 C ATOM 858 O ARG A 58 9.731 19.798 -25.544 1.00 0.00 O ATOM 859 CB ARG A 58 6.637 20.619 -23.970 1.00 0.00 C ATOM 860 CG ARG A 58 5.742 21.774 -24.394 1.00 0.00 C ATOM 861 CD ARG A 58 4.641 21.317 -25.337 1.00 0.00 C ATOM 862 NE ARG A 58 3.709 22.398 -25.656 1.00 0.00 N ATOM 863 CZ ARG A 58 2.879 22.386 -26.699 1.00 0.00 C ATOM 864 NH1 ARG A 58 2.910 21.382 -27.567 1.00 0.00 N ATOM 865 NH2 ARG A 58 2.030 23.389 -26.881 1.00 0.00 N ATOM 0 H ARG A 58 8.391 18.293 -24.331 1.00 0.00 H new ATOM 0 HA ARG A 58 6.793 20.079 -26.033 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.030 19.876 -23.453 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.369 20.988 -23.252 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.297 22.233 -23.511 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.344 22.540 -24.882 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.086 20.939 -26.257 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.095 20.490 -24.883 1.00 0.00 H new ATOM 0 HE ARG A 58 3.693 23.212 -25.042 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.571 20.616 -27.437 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.273 21.377 -28.364 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.013 24.168 -26.223 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.394 23.381 -27.679 1.00 0.00 H new ATOM 879 N ASP A 59 8.885 21.855 -25.231 1.00 0.00 N ATOM 880 CA ASP A 59 10.171 22.516 -25.425 1.00 0.00 C ATOM 881 C ASP A 59 11.137 22.163 -24.296 1.00 0.00 C ATOM 882 O ASP A 59 12.174 21.545 -24.526 1.00 0.00 O ATOM 883 CB ASP A 59 9.983 24.032 -25.517 1.00 0.00 C ATOM 884 CG ASP A 59 11.285 24.768 -25.757 1.00 0.00 C ATOM 885 OD1 ASP A 59 11.977 24.455 -26.749 1.00 0.00 O ATOM 886 OD2 ASP A 59 11.609 25.681 -24.971 1.00 0.00 O ATOM 0 H ASP A 59 8.110 22.486 -25.027 1.00 0.00 H new ATOM 0 HA ASP A 59 10.600 22.162 -26.362 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.287 24.260 -26.325 1.00 0.00 H new ATOM 0 HB3 ASP A 59 9.530 24.395 -24.594 1.00 0.00 H new ATOM 891 N ASP A 60 10.785 22.548 -23.078 1.00 0.00 N ATOM 892 CA ASP A 60 11.586 22.213 -21.903 1.00 0.00 C ATOM 893 C ASP A 60 10.815 21.250 -21.009 1.00 0.00 C ATOM 894 O ASP A 60 11.396 20.496 -20.230 1.00 0.00 O ATOM 895 CB ASP A 60 11.944 23.483 -21.123 1.00 0.00 C ATOM 896 CG ASP A 60 12.919 23.234 -19.984 1.00 0.00 C ATOM 897 OD1 ASP A 60 14.138 23.129 -20.254 1.00 0.00 O ATOM 898 OD2 ASP A 60 12.484 23.185 -18.817 1.00 0.00 O ATOM 0 H ASP A 60 9.948 23.094 -22.874 1.00 0.00 H new ATOM 0 HA ASP A 60 12.509 21.734 -22.231 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.375 24.213 -21.808 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.032 23.924 -20.721 1.00 0.00 H new ATOM 903 N VAL A 61 9.496 21.264 -21.160 1.00 0.00 N ATOM 904 CA VAL A 61 8.615 20.447 -20.338 1.00 0.00 C ATOM 905 C VAL A 61 8.744 18.969 -20.695 1.00 0.00 C ATOM 906 O VAL A 61 8.426 18.549 -21.813 1.00 0.00 O ATOM 907 CB VAL A 61 7.141 20.874 -20.501 1.00 0.00 C ATOM 908 CG1 VAL A 61 6.247 20.118 -19.532 1.00 0.00 C ATOM 909 CG2 VAL A 61 6.988 22.374 -20.312 1.00 0.00 C ATOM 0 H VAL A 61 9.011 21.837 -21.850 1.00 0.00 H new ATOM 0 HA VAL A 61 8.919 20.597 -19.302 1.00 0.00 H new ATOM 0 HB VAL A 61 6.830 20.625 -21.515 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.213 20.437 -19.666 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.325 19.048 -19.724 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.561 20.326 -18.509 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.941 22.651 -20.432 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.325 22.651 -19.313 1.00 0.00 H new ATOM 0 HG23 VAL A 61 7.589 22.898 -21.056 1.00 0.00 H new ATOM 919 N MET A 62 9.228 18.186 -19.745 1.00 0.00 N ATOM 920 CA MET A 62 9.364 16.752 -19.931 1.00 0.00 C ATOM 921 C MET A 62 8.425 16.012 -18.990 1.00 0.00 C ATOM 922 O MET A 62 8.219 16.438 -17.855 1.00 0.00 O ATOM 923 CB MET A 62 10.810 16.318 -19.679 1.00 0.00 C ATOM 924 CG MET A 62 11.814 17.002 -20.594 1.00 0.00 C ATOM 925 SD MET A 62 13.505 16.432 -20.338 1.00 0.00 S ATOM 926 CE MET A 62 13.786 16.950 -18.645 1.00 0.00 C ATOM 0 H MET A 62 9.535 18.523 -18.832 1.00 0.00 H new ATOM 0 HA MET A 62 9.100 16.507 -20.960 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.070 16.531 -18.642 1.00 0.00 H new ATOM 0 HB3 MET A 62 10.886 15.239 -19.811 1.00 0.00 H new ATOM 0 HG2 MET A 62 11.530 16.825 -21.632 1.00 0.00 H new ATOM 0 HG3 MET A 62 11.771 18.079 -20.431 1.00 0.00 H new ATOM 0 HE1 MET A 62 14.743 17.467 -18.577 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.987 17.623 -18.333 1.00 0.00 H new ATOM 0 HE3 MET A 62 13.799 16.076 -17.994 1.00 0.00 H new ATOM 936 N ARG A 63 7.842 14.919 -19.465 1.00 0.00 N ATOM 937 CA ARG A 63 6.950 14.118 -18.635 1.00 0.00 C ATOM 938 C ARG A 63 7.664 12.879 -18.127 1.00 0.00 C ATOM 939 O ARG A 63 8.703 12.482 -18.665 1.00 0.00 O ATOM 940 CB ARG A 63 5.685 13.697 -19.394 1.00 0.00 C ATOM 941 CG ARG A 63 4.723 14.838 -19.675 1.00 0.00 C ATOM 942 CD ARG A 63 3.355 14.332 -20.111 1.00 0.00 C ATOM 943 NE ARG A 63 3.420 13.489 -21.306 1.00 0.00 N ATOM 944 CZ ARG A 63 2.455 13.423 -22.225 1.00 0.00 C ATOM 945 NH1 ARG A 63 1.342 14.131 -22.078 1.00 0.00 N ATOM 946 NH2 ARG A 63 2.594 12.627 -23.275 1.00 0.00 N ATOM 0 H ARG A 63 7.969 14.568 -20.414 1.00 0.00 H new ATOM 0 HA ARG A 63 6.653 14.743 -17.793 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.977 13.240 -20.340 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.166 12.932 -18.817 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.615 15.451 -18.780 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.138 15.479 -20.453 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.905 13.766 -19.296 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.703 15.183 -20.307 1.00 0.00 H new ATOM 0 HE ARG A 63 4.253 12.917 -21.444 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.222 14.728 -21.260 1.00 0.00 H new ATOM 0 HH12 ARG A 63 0.607 14.078 -22.783 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.439 12.065 -23.381 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.856 12.576 -23.978 1.00 0.00 H new ATOM 960 N LEU A 64 7.102 12.282 -17.088 1.00 0.00 N ATOM 961 CA LEU A 64 7.624 11.044 -16.537 1.00 0.00 C ATOM 962 C LEU A 64 7.425 9.920 -17.548 1.00 0.00 C ATOM 963 O LEU A 64 6.294 9.527 -17.843 1.00 0.00 O ATOM 964 CB LEU A 64 6.908 10.715 -15.218 1.00 0.00 C ATOM 965 CG LEU A 64 7.677 9.828 -14.224 1.00 0.00 C ATOM 966 CD1 LEU A 64 7.938 8.439 -14.789 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.983 10.494 -13.822 1.00 0.00 C ATOM 0 H LEU A 64 6.277 12.640 -16.607 1.00 0.00 H new ATOM 0 HA LEU A 64 8.689 11.154 -16.332 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.663 11.653 -14.720 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.964 10.223 -15.455 1.00 0.00 H new ATOM 0 HG LEU A 64 7.053 9.708 -13.338 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.483 7.845 -14.056 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.988 7.954 -15.016 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.530 8.522 -15.701 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.516 9.855 -13.118 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.599 10.651 -14.708 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.772 11.454 -13.351 1.00 0.00 H new ATOM 979 N GLY A 65 8.525 9.423 -18.084 1.00 0.00 N ATOM 980 CA GLY A 65 8.461 8.342 -19.040 1.00 0.00 C ATOM 981 C GLY A 65 8.253 7.015 -18.351 1.00 0.00 C ATOM 982 O GLY A 65 9.208 6.387 -17.905 1.00 0.00 O ATOM 0 H GLY A 65 9.467 9.751 -17.872 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.647 8.522 -19.742 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.382 8.312 -19.621 1.00 0.00 H new ATOM 986 N ARG A 66 7.000 6.585 -18.268 1.00 0.00 N ATOM 987 CA ARG A 66 6.644 5.367 -17.546 1.00 0.00 C ATOM 988 C ARG A 66 7.236 4.135 -18.221 1.00 0.00 C ATOM 989 O ARG A 66 7.305 3.059 -17.628 1.00 0.00 O ATOM 990 CB ARG A 66 5.125 5.235 -17.448 1.00 0.00 C ATOM 991 CG ARG A 66 4.463 6.381 -16.701 1.00 0.00 C ATOM 992 CD ARG A 66 2.957 6.209 -16.657 1.00 0.00 C ATOM 993 NE ARG A 66 2.288 7.324 -15.989 1.00 0.00 N ATOM 994 CZ ARG A 66 1.041 7.699 -16.259 1.00 0.00 C ATOM 995 NH1 ARG A 66 0.356 7.083 -17.213 1.00 0.00 N ATOM 996 NH2 ARG A 66 0.486 8.698 -15.580 1.00 0.00 N ATOM 0 H ARG A 66 6.207 7.065 -18.695 1.00 0.00 H new ATOM 0 HA ARG A 66 7.061 5.436 -16.541 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.708 5.178 -18.453 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.881 4.297 -16.948 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.856 6.432 -15.685 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.710 7.326 -17.186 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.575 6.116 -17.674 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.715 5.281 -16.139 1.00 0.00 H new ATOM 0 HE ARG A 66 2.805 7.842 -15.278 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.786 6.322 -17.739 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.600 7.370 -17.421 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.017 9.177 -14.852 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.470 8.986 -15.787 1.00 0.00 H new ATOM 1010 N GLU A 67 7.666 4.305 -19.462 1.00 0.00 N ATOM 1011 CA GLU A 67 8.326 3.240 -20.202 1.00 0.00 C ATOM 1012 C GLU A 67 9.671 2.883 -19.572 1.00 0.00 C ATOM 1013 O GLU A 67 10.177 1.776 -19.758 1.00 0.00 O ATOM 1014 CB GLU A 67 8.514 3.645 -21.662 1.00 0.00 C ATOM 1015 CG GLU A 67 7.203 3.886 -22.386 1.00 0.00 C ATOM 1016 CD GLU A 67 7.390 4.129 -23.867 1.00 0.00 C ATOM 1017 OE1 GLU A 67 7.611 3.148 -24.609 1.00 0.00 O ATOM 1018 OE2 GLU A 67 7.311 5.298 -24.296 1.00 0.00 O ATOM 0 H GLU A 67 7.569 5.178 -19.981 1.00 0.00 H new ATOM 0 HA GLU A 67 7.689 2.356 -20.161 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.119 4.551 -21.707 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.070 2.864 -22.181 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.550 3.025 -22.243 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.700 4.745 -21.942 1.00 0.00 H new ATOM 1025 N GLN A 68 10.242 3.826 -18.823 1.00 0.00 N ATOM 1026 CA GLN A 68 11.549 3.628 -18.198 1.00 0.00 C ATOM 1027 C GLN A 68 11.531 2.407 -17.267 1.00 0.00 C ATOM 1028 O GLN A 68 12.537 1.709 -17.132 1.00 0.00 O ATOM 1029 CB GLN A 68 11.995 4.903 -17.443 1.00 0.00 C ATOM 1030 CG GLN A 68 11.333 5.121 -16.089 1.00 0.00 C ATOM 1031 CD GLN A 68 12.086 4.453 -14.952 1.00 0.00 C ATOM 1032 OE1 GLN A 68 13.400 4.358 -15.087 1.00 0.00 O flip ATOM 1033 NE2 GLN A 68 11.496 4.035 -13.960 1.00 0.00 N flip ATOM 0 H GLN A 68 9.820 4.735 -18.634 1.00 0.00 H new ATOM 0 HA GLN A 68 12.278 3.434 -18.985 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.075 4.861 -17.299 1.00 0.00 H new ATOM 0 HB3 GLN A 68 11.791 5.769 -18.073 1.00 0.00 H new ATOM 0 HG2 GLN A 68 11.262 6.191 -15.893 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.314 4.734 -16.121 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.482 4.127 -13.893 1.00 0.00 H new ATOM 0 HE22 GLN A 68 12.019 3.596 -13.203 1.00 0.00 H new ATOM 1042 N LEU A 69 10.377 2.136 -16.652 1.00 0.00 N ATOM 1043 CA LEU A 69 10.239 0.992 -15.752 1.00 0.00 C ATOM 1044 C LEU A 69 10.352 -0.316 -16.527 1.00 0.00 C ATOM 1045 O LEU A 69 10.881 -1.308 -16.022 1.00 0.00 O ATOM 1046 CB LEU A 69 8.901 1.025 -14.995 1.00 0.00 C ATOM 1047 CG LEU A 69 8.743 2.136 -13.949 1.00 0.00 C ATOM 1048 CD1 LEU A 69 8.337 3.450 -14.599 1.00 0.00 C ATOM 1049 CD2 LEU A 69 7.728 1.729 -12.894 1.00 0.00 C ATOM 0 H LEU A 69 9.529 2.692 -16.761 1.00 0.00 H new ATOM 0 HA LEU A 69 11.048 1.054 -15.024 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.097 1.124 -15.724 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.764 0.064 -14.498 1.00 0.00 H new ATOM 0 HG LEU A 69 9.709 2.285 -13.467 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.233 4.218 -13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.101 3.753 -15.315 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.386 3.322 -15.116 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.627 2.528 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.763 1.548 -13.368 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.065 0.819 -12.397 1.00 0.00 H new ATOM 1061 N GLN A 70 9.871 -0.304 -17.764 1.00 0.00 N ATOM 1062 CA GLN A 70 9.906 -1.487 -18.615 1.00 0.00 C ATOM 1063 C GLN A 70 11.343 -1.835 -18.981 1.00 0.00 C ATOM 1064 O GLN A 70 11.677 -2.996 -19.199 1.00 0.00 O ATOM 1065 CB GLN A 70 9.081 -1.258 -19.884 1.00 0.00 C ATOM 1066 CG GLN A 70 7.608 -0.998 -19.613 1.00 0.00 C ATOM 1067 CD GLN A 70 6.891 -2.196 -19.016 1.00 0.00 C ATOM 1068 OE1 GLN A 70 7.291 -3.396 -19.416 1.00 0.00 O flip ATOM 1069 NE2 GLN A 70 5.963 -2.045 -18.223 1.00 0.00 N flip ATOM 0 H GLN A 70 9.450 0.516 -18.202 1.00 0.00 H new ATOM 0 HA GLN A 70 9.473 -2.321 -18.062 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.497 -0.411 -20.430 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.175 -2.130 -20.531 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.514 -0.150 -18.934 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.118 -0.716 -20.545 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.683 -1.106 -17.938 1.00 0.00 H new ATOM 0 HE22 GLN A 70 5.473 -2.858 -17.850 1.00 0.00 H new ATOM 1078 N ILE A 71 12.182 -0.820 -19.075 1.00 0.00 N ATOM 1079 CA ILE A 71 13.595 -1.027 -19.341 1.00 0.00 C ATOM 1080 C ILE A 71 14.328 -1.506 -18.085 1.00 0.00 C ATOM 1081 O ILE A 71 15.165 -2.405 -18.152 1.00 0.00 O ATOM 1082 CB ILE A 71 14.247 0.256 -19.899 1.00 0.00 C ATOM 1083 CG1 ILE A 71 13.531 0.667 -21.190 1.00 0.00 C ATOM 1084 CG2 ILE A 71 15.736 0.043 -20.149 1.00 0.00 C ATOM 1085 CD1 ILE A 71 14.069 1.930 -21.825 1.00 0.00 C ATOM 0 H ILE A 71 11.910 0.158 -18.971 1.00 0.00 H new ATOM 0 HA ILE A 71 13.679 -1.807 -20.098 1.00 0.00 H new ATOM 0 HB ILE A 71 14.148 1.056 -19.165 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.607 -0.148 -21.909 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.471 0.805 -20.976 1.00 0.00 H new ATOM 0 HG21 ILE A 71 16.174 0.961 -20.542 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.228 -0.222 -19.213 1.00 0.00 H new ATOM 0 HG23 ILE A 71 15.872 -0.762 -20.871 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.507 2.149 -22.733 1.00 0.00 H new ATOM 0 HD12 ILE A 71 13.967 2.760 -21.126 1.00 0.00 H new ATOM 0 HD13 ILE A 71 15.121 1.792 -22.074 1.00 0.00 H new ATOM 1097 N LEU A 72 13.983 -0.926 -16.936 1.00 0.00 N ATOM 1098 CA LEU A 72 14.660 -1.250 -15.678 1.00 0.00 C ATOM 1099 C LEU A 72 14.462 -2.707 -15.271 1.00 0.00 C ATOM 1100 O LEU A 72 15.336 -3.296 -14.641 1.00 0.00 O ATOM 1101 CB LEU A 72 14.180 -0.349 -14.539 1.00 0.00 C ATOM 1102 CG LEU A 72 14.591 1.120 -14.634 1.00 0.00 C ATOM 1103 CD1 LEU A 72 14.237 1.843 -13.346 1.00 0.00 C ATOM 1104 CD2 LEU A 72 16.080 1.248 -14.928 1.00 0.00 C ATOM 0 H LEU A 72 13.241 -0.231 -16.849 1.00 0.00 H new ATOM 0 HA LEU A 72 15.722 -1.080 -15.857 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.092 -0.400 -14.495 1.00 0.00 H new ATOM 0 HB3 LEU A 72 14.557 -0.752 -13.599 1.00 0.00 H new ATOM 0 HG LEU A 72 14.045 1.581 -15.457 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.533 2.889 -13.423 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.162 1.782 -13.178 1.00 0.00 H new ATOM 0 HD13 LEU A 72 14.761 1.378 -12.512 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.349 2.302 -14.991 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.651 0.775 -14.129 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.307 0.758 -15.875 1.00 0.00 H new ATOM 1116 N LEU A 73 13.320 -3.285 -15.632 1.00 0.00 N ATOM 1117 CA LEU A 73 12.995 -4.657 -15.235 1.00 0.00 C ATOM 1118 C LEU A 73 14.045 -5.657 -15.731 1.00 0.00 C ATOM 1119 O LEU A 73 14.151 -6.767 -15.205 1.00 0.00 O ATOM 1120 CB LEU A 73 11.569 -5.048 -15.669 1.00 0.00 C ATOM 1121 CG LEU A 73 11.259 -5.032 -17.170 1.00 0.00 C ATOM 1122 CD1 LEU A 73 11.799 -6.272 -17.868 1.00 0.00 C ATOM 1123 CD2 LEU A 73 9.759 -4.916 -17.390 1.00 0.00 C ATOM 0 H LEU A 73 12.604 -2.829 -16.197 1.00 0.00 H new ATOM 0 HA LEU A 73 13.018 -4.695 -14.146 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.366 -6.051 -15.294 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.870 -4.375 -15.173 1.00 0.00 H new ATOM 0 HG LEU A 73 11.756 -4.165 -17.605 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.560 -6.225 -18.930 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.881 -6.319 -17.741 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.344 -7.162 -17.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.548 -4.905 -18.459 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.257 -5.767 -16.929 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.395 -3.993 -16.939 1.00 0.00 H new ATOM 1135 N GLU A 74 14.784 -5.284 -16.773 1.00 0.00 N ATOM 1136 CA GLU A 74 15.888 -6.104 -17.268 1.00 0.00 C ATOM 1137 C GLU A 74 16.929 -6.344 -16.175 1.00 0.00 C ATOM 1138 O GLU A 74 17.470 -7.445 -16.050 1.00 0.00 O ATOM 1139 CB GLU A 74 16.543 -5.443 -18.481 1.00 0.00 C ATOM 1140 CG GLU A 74 15.674 -5.474 -19.725 1.00 0.00 C ATOM 1141 CD GLU A 74 15.376 -6.887 -20.178 1.00 0.00 C ATOM 1142 OE1 GLU A 74 14.364 -7.464 -19.727 1.00 0.00 O ATOM 1143 OE2 GLU A 74 16.158 -7.435 -20.980 1.00 0.00 O ATOM 0 H GLU A 74 14.638 -4.418 -17.292 1.00 0.00 H new ATOM 0 HA GLU A 74 15.479 -7.069 -17.568 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.780 -4.407 -18.238 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.487 -5.944 -18.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.738 -4.953 -19.525 1.00 0.00 H new ATOM 0 HG3 GLU A 74 16.174 -4.934 -20.529 1.00 0.00 H new ATOM 1150 N GLN A 75 17.193 -5.319 -15.375 1.00 0.00 N ATOM 1151 CA GLN A 75 18.144 -5.425 -14.276 1.00 0.00 C ATOM 1152 C GLN A 75 17.446 -5.104 -12.959 1.00 0.00 C ATOM 1153 O GLN A 75 17.301 -3.940 -12.589 1.00 0.00 O ATOM 1154 CB GLN A 75 19.332 -4.478 -14.486 1.00 0.00 C ATOM 1155 CG GLN A 75 20.086 -4.704 -15.791 1.00 0.00 C ATOM 1156 CD GLN A 75 20.690 -6.093 -15.906 1.00 0.00 C ATOM 1157 OE1 GLN A 75 20.821 -6.632 -17.005 1.00 0.00 O ATOM 1158 NE2 GLN A 75 21.076 -6.678 -14.783 1.00 0.00 N ATOM 0 H GLN A 75 16.759 -4.400 -15.468 1.00 0.00 H new ATOM 0 HA GLN A 75 18.525 -6.446 -14.245 1.00 0.00 H new ATOM 0 HB2 GLN A 75 18.972 -3.450 -14.461 1.00 0.00 H new ATOM 0 HB3 GLN A 75 20.026 -4.593 -13.653 1.00 0.00 H new ATOM 0 HG2 GLN A 75 19.406 -4.541 -16.628 1.00 0.00 H new ATOM 0 HG3 GLN A 75 20.880 -3.962 -15.876 1.00 0.00 H new ATOM 0 HE21 GLN A 75 20.951 -6.201 -13.890 1.00 0.00 H new ATOM 0 HE22 GLN A 75 21.498 -7.606 -14.810 1.00 0.00 H new ATOM 1167 N ASN A 76 17.003 -6.140 -12.264 1.00 0.00 N ATOM 1168 CA ASN A 76 16.206 -5.961 -11.057 1.00 0.00 C ATOM 1169 C ASN A 76 17.093 -5.695 -9.847 1.00 0.00 C ATOM 1170 O ASN A 76 17.482 -6.622 -9.134 1.00 0.00 O ATOM 1171 CB ASN A 76 15.329 -7.190 -10.793 1.00 0.00 C ATOM 1172 CG ASN A 76 14.449 -7.550 -11.974 1.00 0.00 C ATOM 1173 OD1 ASN A 76 14.830 -8.360 -12.823 1.00 0.00 O ATOM 1174 ND2 ASN A 76 13.273 -6.950 -12.046 1.00 0.00 N ATOM 0 H ASN A 76 17.181 -7.113 -12.513 1.00 0.00 H new ATOM 0 HA ASN A 76 15.563 -5.095 -11.217 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.967 -8.040 -10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.701 -7.002 -9.922 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.645 -7.151 -12.824 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.994 -6.286 -11.324 1.00 0.00 H new ATOM 1181 N ILE A 77 17.429 -4.431 -9.637 1.00 0.00 N ATOM 1182 CA ILE A 77 18.233 -4.026 -8.490 1.00 0.00 C ATOM 1183 C ILE A 77 17.870 -2.611 -8.032 1.00 0.00 C ATOM 1184 O ILE A 77 18.454 -1.622 -8.479 1.00 0.00 O ATOM 1185 CB ILE A 77 19.758 -4.129 -8.773 1.00 0.00 C ATOM 1186 CG1 ILE A 77 20.077 -4.047 -10.279 1.00 0.00 C ATOM 1187 CG2 ILE A 77 20.316 -5.420 -8.192 1.00 0.00 C ATOM 1188 CD1 ILE A 77 19.944 -2.663 -10.877 1.00 0.00 C ATOM 0 H ILE A 77 17.156 -3.662 -10.249 1.00 0.00 H new ATOM 0 HA ILE A 77 18.002 -4.724 -7.685 1.00 0.00 H new ATOM 0 HB ILE A 77 20.235 -3.276 -8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 77 21.095 -4.402 -10.441 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.413 -4.725 -10.815 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.385 -5.479 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.152 -5.435 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.811 -6.272 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 77 20.187 -2.701 -11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.921 -2.309 -10.751 1.00 0.00 H new ATOM 0 HD13 ILE A 77 20.628 -1.981 -10.372 1.00 0.00 H new ATOM 1200 N ASN A 78 16.895 -2.519 -7.133 1.00 0.00 N ATOM 1201 CA ASN A 78 16.394 -1.221 -6.682 1.00 0.00 C ATOM 1202 C ASN A 78 17.397 -0.530 -5.776 1.00 0.00 C ATOM 1203 O ASN A 78 17.532 0.689 -5.812 1.00 0.00 O ATOM 1204 CB ASN A 78 15.055 -1.354 -5.946 1.00 0.00 C ATOM 1205 CG ASN A 78 13.940 -1.898 -6.819 1.00 0.00 C ATOM 1206 OD1 ASN A 78 13.272 -1.154 -7.538 1.00 0.00 O ATOM 1207 ND2 ASN A 78 13.717 -3.199 -6.745 1.00 0.00 N ATOM 0 H ASN A 78 16.437 -3.322 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 78 16.242 -0.617 -7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.185 -2.010 -5.085 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.762 -0.377 -5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.969 -3.620 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.293 -3.781 -6.137 1.00 0.00 H new ATOM 1214 N GLU A 79 18.108 -1.309 -4.975 1.00 0.00 N ATOM 1215 CA GLU A 79 19.088 -0.753 -4.051 1.00 0.00 C ATOM 1216 C GLU A 79 20.324 -0.289 -4.811 1.00 0.00 C ATOM 1217 O GLU A 79 21.015 0.630 -4.390 1.00 0.00 O ATOM 1218 CB GLU A 79 19.488 -1.784 -2.998 1.00 0.00 C ATOM 1219 CG GLU A 79 18.316 -2.369 -2.233 1.00 0.00 C ATOM 1220 CD GLU A 79 18.761 -3.367 -1.189 1.00 0.00 C ATOM 1221 OE1 GLU A 79 19.111 -4.509 -1.558 1.00 0.00 O ATOM 1222 OE2 GLU A 79 18.772 -3.017 0.007 1.00 0.00 O ATOM 0 H GLU A 79 18.026 -2.325 -4.945 1.00 0.00 H new ATOM 0 HA GLU A 79 18.633 0.100 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.032 -2.594 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.175 -1.319 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 79 17.760 -1.565 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.634 -2.855 -2.931 1.00 0.00 H new ATOM 1229 N ARG A 80 20.593 -0.942 -5.930 1.00 0.00 N ATOM 1230 CA ARG A 80 21.748 -0.615 -6.754 1.00 0.00 C ATOM 1231 C ARG A 80 21.558 0.736 -7.442 1.00 0.00 C ATOM 1232 O ARG A 80 22.406 1.622 -7.346 1.00 0.00 O ATOM 1233 CB ARG A 80 21.952 -1.704 -7.802 1.00 0.00 C ATOM 1234 CG ARG A 80 23.291 -1.640 -8.512 1.00 0.00 C ATOM 1235 CD ARG A 80 24.445 -1.928 -7.566 1.00 0.00 C ATOM 1236 NE ARG A 80 25.732 -1.939 -8.261 1.00 0.00 N ATOM 1237 CZ ARG A 80 26.391 -3.053 -8.585 1.00 0.00 C ATOM 1238 NH1 ARG A 80 25.881 -4.240 -8.286 1.00 0.00 N ATOM 1239 NH2 ARG A 80 27.559 -2.979 -9.206 1.00 0.00 N ATOM 0 H ARG A 80 20.023 -1.707 -6.291 1.00 0.00 H new ATOM 0 HA ARG A 80 22.627 -0.554 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG A 80 21.854 -2.678 -7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.156 -1.633 -8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.303 -2.360 -9.330 1.00 0.00 H new ATOM 0 HG3 ARG A 80 23.421 -0.652 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 80 24.465 -1.175 -6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 80 24.286 -2.892 -7.082 1.00 0.00 H new ATOM 0 HE ARG A 80 26.150 -1.043 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 80 24.983 -4.303 -7.807 1.00 0.00 H new ATOM 0 HH12 ARG A 80 26.387 -5.090 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 80 27.957 -2.069 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 80 28.061 -3.832 -9.452 1.00 0.00 H new ATOM 1253 N LEU A 81 20.435 0.880 -8.132 1.00 0.00 N ATOM 1254 CA LEU A 81 20.130 2.106 -8.873 1.00 0.00 C ATOM 1255 C LEU A 81 19.512 3.177 -7.972 1.00 0.00 C ATOM 1256 O LEU A 81 19.408 4.341 -8.365 1.00 0.00 O ATOM 1257 CB LEU A 81 19.172 1.798 -10.023 1.00 0.00 C ATOM 1258 CG LEU A 81 19.768 1.012 -11.190 1.00 0.00 C ATOM 1259 CD1 LEU A 81 18.686 0.691 -12.209 1.00 0.00 C ATOM 1260 CD2 LEU A 81 20.896 1.799 -11.843 1.00 0.00 C ATOM 0 H LEU A 81 19.714 0.162 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 81 21.071 2.493 -9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 81 18.326 1.237 -9.626 1.00 0.00 H new ATOM 0 HB3 LEU A 81 18.779 2.740 -10.406 1.00 0.00 H new ATOM 0 HG LEU A 81 20.179 0.078 -10.808 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.121 0.131 -13.037 1.00 0.00 H new ATOM 0 HD12 LEU A 81 17.907 0.094 -11.736 1.00 0.00 H new ATOM 0 HD13 LEU A 81 18.254 1.618 -12.586 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.309 1.224 -12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.509 2.747 -12.216 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.679 1.990 -11.109 1.00 0.00 H new ATOM 1272 N ASN A 82 19.092 2.768 -6.775 1.00 0.00 N ATOM 1273 CA ASN A 82 18.455 3.672 -5.812 1.00 0.00 C ATOM 1274 C ASN A 82 17.114 4.178 -6.335 1.00 0.00 C ATOM 1275 O ASN A 82 16.837 5.377 -6.285 1.00 0.00 O ATOM 1276 CB ASN A 82 19.356 4.870 -5.469 1.00 0.00 C ATOM 1277 CG ASN A 82 20.387 4.573 -4.391 1.00 0.00 C ATOM 1278 OD1 ASN A 82 20.750 5.454 -3.611 1.00 0.00 O ATOM 1279 ND2 ASN A 82 20.884 3.352 -4.345 1.00 0.00 N ATOM 0 H ASN A 82 19.182 1.807 -6.445 1.00 0.00 H new ATOM 0 HA ASN A 82 18.289 3.093 -4.903 1.00 0.00 H new ATOM 0 HB2 ASN A 82 19.872 5.195 -6.372 1.00 0.00 H new ATOM 0 HB3 ASN A 82 18.731 5.701 -5.142 1.00 0.00 H new ATOM 0 HD21 ASN A 82 21.591 3.115 -3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 82 20.562 2.645 -5.006 1.00 0.00 H new ATOM 1286 N ILE A 83 16.278 3.266 -6.830 1.00 0.00 N ATOM 1287 CA ILE A 83 14.945 3.641 -7.288 1.00 0.00 C ATOM 1288 C ILE A 83 14.113 4.133 -6.109 1.00 0.00 C ATOM 1289 O ILE A 83 14.024 3.463 -5.077 1.00 0.00 O ATOM 1290 CB ILE A 83 14.196 2.485 -8.008 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.848 2.162 -9.354 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.730 2.836 -8.219 1.00 0.00 C ATOM 1293 CD1 ILE A 83 15.962 1.149 -9.267 1.00 0.00 C ATOM 0 H ILE A 83 16.498 2.274 -6.923 1.00 0.00 H new ATOM 0 HA ILE A 83 15.078 4.437 -8.021 1.00 0.00 H new ATOM 0 HB ILE A 83 14.260 1.605 -7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 83 14.084 1.789 -10.036 1.00 0.00 H new ATOM 0 HG13 ILE A 83 15.240 3.082 -9.787 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.228 2.011 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.256 3.013 -7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.656 3.736 -8.830 1.00 0.00 H new ATOM 0 HD11 ILE A 83 16.373 0.974 -10.261 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.747 1.527 -8.612 1.00 0.00 H new ATOM 0 HD13 ILE A 83 15.573 0.214 -8.865 1.00 0.00 H new ATOM 1305 N GLY A 84 13.529 5.314 -6.267 1.00 0.00 N ATOM 1306 CA GLY A 84 12.750 5.911 -5.205 1.00 0.00 C ATOM 1307 C GLY A 84 11.533 5.089 -4.834 1.00 0.00 C ATOM 1308 O GLY A 84 10.911 4.461 -5.688 1.00 0.00 O ATOM 0 H GLY A 84 13.583 5.871 -7.120 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.380 6.036 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 84 12.430 6.907 -5.511 1.00 0.00 H new ATOM 1312 N GLU A 85 11.189 5.111 -3.559 1.00 0.00 N ATOM 1313 CA GLU A 85 10.040 4.376 -3.051 1.00 0.00 C ATOM 1314 C GLU A 85 8.727 4.863 -3.682 1.00 0.00 C ATOM 1315 O GLU A 85 7.898 4.043 -4.080 1.00 0.00 O ATOM 1316 CB GLU A 85 9.977 4.482 -1.529 1.00 0.00 C ATOM 1317 CG GLU A 85 11.177 3.867 -0.833 1.00 0.00 C ATOM 1318 CD GLU A 85 11.093 3.980 0.673 1.00 0.00 C ATOM 1319 OE1 GLU A 85 10.396 3.149 1.296 1.00 0.00 O ATOM 1320 OE2 GLU A 85 11.719 4.899 1.241 1.00 0.00 O ATOM 0 H GLU A 85 11.695 5.637 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 85 10.165 3.330 -3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.902 5.532 -1.248 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.070 3.992 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.256 2.816 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.086 4.358 -1.181 1.00 0.00 H new ATOM 1327 N PRO A 86 8.501 6.197 -3.785 1.00 0.00 N ATOM 1328 CA PRO A 86 7.334 6.742 -4.496 1.00 0.00 C ATOM 1329 C PRO A 86 7.252 6.262 -5.947 1.00 0.00 C ATOM 1330 O PRO A 86 6.188 6.280 -6.559 1.00 0.00 O ATOM 1331 CB PRO A 86 7.558 8.254 -4.448 1.00 0.00 C ATOM 1332 CG PRO A 86 8.414 8.474 -3.255 1.00 0.00 C ATOM 1333 CD PRO A 86 9.315 7.277 -3.181 1.00 0.00 C ATOM 0 HA PRO A 86 6.398 6.420 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.045 8.610 -5.355 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.613 8.791 -4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.991 9.394 -3.350 1.00 0.00 H new ATOM 0 HG3 PRO A 86 7.811 8.568 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.242 7.437 -3.731 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.591 7.045 -2.152 1.00 0.00 H new ATOM 1341 N LEU A 87 8.378 5.820 -6.488 1.00 0.00 N ATOM 1342 CA LEU A 87 8.427 5.323 -7.858 1.00 0.00 C ATOM 1343 C LEU A 87 7.820 3.921 -7.930 1.00 0.00 C ATOM 1344 O LEU A 87 7.247 3.531 -8.947 1.00 0.00 O ATOM 1345 CB LEU A 87 9.874 5.311 -8.376 1.00 0.00 C ATOM 1346 CG LEU A 87 10.451 6.662 -8.844 1.00 0.00 C ATOM 1347 CD1 LEU A 87 9.889 7.045 -10.203 1.00 0.00 C ATOM 1348 CD2 LEU A 87 10.176 7.769 -7.837 1.00 0.00 C ATOM 0 H LEU A 87 9.273 5.795 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 87 7.843 5.990 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.516 4.922 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.932 4.609 -9.208 1.00 0.00 H new ATOM 0 HG LEU A 87 11.531 6.541 -8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.309 8.001 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.150 6.279 -10.933 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.804 7.130 -10.137 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.598 8.706 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.100 7.882 -7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.633 7.513 -6.881 1.00 0.00 H new ATOM 1360 N LEU A 88 7.933 3.175 -6.833 1.00 0.00 N ATOM 1361 CA LEU A 88 7.348 1.838 -6.749 1.00 0.00 C ATOM 1362 C LEU A 88 5.831 1.921 -6.619 1.00 0.00 C ATOM 1363 O LEU A 88 5.100 1.173 -7.269 1.00 0.00 O ATOM 1364 CB LEU A 88 7.919 1.051 -5.561 1.00 0.00 C ATOM 1365 CG LEU A 88 9.229 0.294 -5.820 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.384 1.251 -6.064 1.00 0.00 C ATOM 1367 CD2 LEU A 88 9.545 -0.628 -4.653 1.00 0.00 C ATOM 0 H LEU A 88 8.424 3.473 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 88 7.604 1.314 -7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.081 1.745 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.167 0.334 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 88 9.096 -0.306 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.296 0.682 -6.244 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.165 1.871 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.520 1.888 -5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.477 -1.158 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.649 -0.039 -3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.736 -1.348 -4.529 1.00 0.00 H new ATOM 1379 N VAL A 89 5.361 2.839 -5.782 1.00 0.00 N ATOM 1380 CA VAL A 89 3.928 3.008 -5.567 1.00 0.00 C ATOM 1381 C VAL A 89 3.259 3.587 -6.812 1.00 0.00 C ATOM 1382 O VAL A 89 2.099 3.290 -7.097 1.00 0.00 O ATOM 1383 CB VAL A 89 3.608 3.877 -4.325 1.00 0.00 C ATOM 1384 CG1 VAL A 89 4.209 3.255 -3.074 1.00 0.00 C ATOM 1385 CG2 VAL A 89 4.097 5.307 -4.495 1.00 0.00 C ATOM 0 H VAL A 89 5.948 3.475 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 89 3.521 2.015 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 89 2.524 3.912 -4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.975 3.877 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.792 2.259 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.291 3.183 -3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.853 5.883 -3.603 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.177 5.307 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.612 5.757 -5.361 1.00 0.00 H new ATOM 1395 N TYR A 90 3.998 4.416 -7.548 1.00 0.00 N ATOM 1396 CA TYR A 90 3.504 4.989 -8.797 1.00 0.00 C ATOM 1397 C TYR A 90 3.170 3.882 -9.799 1.00 0.00 C ATOM 1398 O TYR A 90 2.302 4.044 -10.657 1.00 0.00 O ATOM 1399 CB TYR A 90 4.553 5.932 -9.391 1.00 0.00 C ATOM 1400 CG TYR A 90 4.046 6.777 -10.540 1.00 0.00 C ATOM 1401 CD1 TYR A 90 3.119 7.788 -10.324 1.00 0.00 C ATOM 1402 CD2 TYR A 90 4.502 6.571 -11.836 1.00 0.00 C ATOM 1403 CE1 TYR A 90 2.658 8.569 -11.365 1.00 0.00 C ATOM 1404 CE2 TYR A 90 4.045 7.348 -12.884 1.00 0.00 C ATOM 1405 CZ TYR A 90 3.123 8.346 -12.643 1.00 0.00 C ATOM 1406 OH TYR A 90 2.666 9.126 -13.683 1.00 0.00 O ATOM 0 H TYR A 90 4.944 4.706 -7.299 1.00 0.00 H new ATOM 0 HA TYR A 90 2.595 5.553 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.920 6.591 -8.604 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.402 5.342 -9.735 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.752 7.967 -9.324 1.00 0.00 H new ATOM 0 HD2 TYR A 90 5.225 5.792 -12.028 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.937 9.351 -11.179 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.408 7.175 -13.886 1.00 0.00 H new ATOM 0 HH TYR A 90 3.428 9.467 -14.195 1.00 0.00 H new ATOM 1416 N LEU A 91 3.865 2.753 -9.673 1.00 0.00 N ATOM 1417 CA LEU A 91 3.628 1.604 -10.537 1.00 0.00 C ATOM 1418 C LEU A 91 2.282 0.957 -10.217 1.00 0.00 C ATOM 1419 O LEU A 91 1.629 0.395 -11.096 1.00 0.00 O ATOM 1420 CB LEU A 91 4.759 0.580 -10.381 1.00 0.00 C ATOM 1421 CG LEU A 91 4.626 -0.687 -11.231 1.00 0.00 C ATOM 1422 CD1 LEU A 91 4.621 -0.345 -12.714 1.00 0.00 C ATOM 1423 CD2 LEU A 91 5.753 -1.657 -10.911 1.00 0.00 C ATOM 0 H LEU A 91 4.598 2.612 -8.978 1.00 0.00 H new ATOM 0 HA LEU A 91 3.606 1.950 -11.570 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.702 1.066 -10.631 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.819 0.288 -9.333 1.00 0.00 H new ATOM 0 HG LEU A 91 3.676 -1.164 -10.990 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.526 -1.260 -13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.781 0.314 -12.933 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.553 0.156 -12.975 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.646 -2.553 -11.522 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.712 -1.184 -11.125 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.710 -1.930 -9.857 1.00 0.00 H new ATOM 1435 N ARG A 92 1.871 1.045 -8.954 1.00 0.00 N ATOM 1436 CA ARG A 92 0.583 0.506 -8.527 1.00 0.00 C ATOM 1437 C ARG A 92 -0.544 1.248 -9.230 1.00 0.00 C ATOM 1438 O ARG A 92 -1.388 0.644 -9.893 1.00 0.00 O ATOM 1439 CB ARG A 92 0.420 0.637 -7.010 1.00 0.00 C ATOM 1440 CG ARG A 92 1.489 -0.080 -6.197 1.00 0.00 C ATOM 1441 CD ARG A 92 1.343 -1.594 -6.263 1.00 0.00 C ATOM 1442 NE ARG A 92 1.763 -2.153 -7.548 1.00 0.00 N ATOM 1443 CZ ARG A 92 2.549 -3.223 -7.671 1.00 0.00 C ATOM 1444 NH1 ARG A 92 2.995 -3.856 -6.591 1.00 0.00 N ATOM 1445 NH2 ARG A 92 2.868 -3.671 -8.876 1.00 0.00 N ATOM 0 H ARG A 92 2.411 1.484 -8.209 1.00 0.00 H new ATOM 0 HA ARG A 92 0.544 -0.551 -8.792 1.00 0.00 H new ATOM 0 HB2 ARG A 92 0.429 1.695 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -0.557 0.246 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 92 2.475 0.205 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 92 1.431 0.244 -5.158 1.00 0.00 H new ATOM 0 HD2 ARG A 92 1.934 -2.046 -5.466 1.00 0.00 H new ATOM 0 HD3 ARG A 92 0.302 -1.862 -6.079 1.00 0.00 H new ATOM 0 HE ARG A 92 1.435 -1.698 -8.400 1.00 0.00 H new ATOM 0 HH11 ARG A 92 2.736 -3.524 -5.662 1.00 0.00 H new ATOM 0 HH12 ARG A 92 3.596 -4.674 -6.691 1.00 0.00 H new ATOM 0 HH21 ARG A 92 2.513 -3.198 -9.707 1.00 0.00 H new ATOM 0 HH22 ARG A 92 3.469 -4.489 -8.973 1.00 0.00 H new ATOM 1459 N ARG A 93 -0.541 2.562 -9.080 1.00 0.00 N ATOM 1460 CA ARG A 93 -1.485 3.423 -9.774 1.00 0.00 C ATOM 1461 C ARG A 93 -0.922 4.832 -9.866 1.00 0.00 C ATOM 1462 O ARG A 93 -0.215 5.284 -8.965 1.00 0.00 O ATOM 1463 CB ARG A 93 -2.870 3.407 -9.091 1.00 0.00 C ATOM 1464 CG ARG A 93 -2.864 3.711 -7.595 1.00 0.00 C ATOM 1465 CD ARG A 93 -2.768 5.202 -7.300 1.00 0.00 C ATOM 1466 NE ARG A 93 -3.937 5.947 -7.769 1.00 0.00 N ATOM 1467 CZ ARG A 93 -4.125 7.249 -7.546 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -3.212 7.947 -6.884 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -5.220 7.856 -7.984 1.00 0.00 N ATOM 0 H ARG A 93 0.113 3.061 -8.476 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.629 3.041 -10.785 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.511 4.134 -9.590 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.321 2.426 -9.244 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.773 3.313 -7.144 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.024 3.197 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.655 5.349 -6.226 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.872 5.605 -7.772 1.00 0.00 H new ATOM 0 HE ARG A 93 -4.649 5.442 -8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.366 7.488 -6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.356 8.942 -6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.926 7.327 -8.496 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.356 8.852 -7.809 1.00 0.00 H new ATOM 1483 N GLN A 94 -1.217 5.513 -10.959 1.00 0.00 N ATOM 1484 CA GLN A 94 -0.702 6.857 -11.166 1.00 0.00 C ATOM 1485 C GLN A 94 -1.682 7.901 -10.654 1.00 0.00 C ATOM 1486 O GLN A 94 -2.875 7.629 -10.506 1.00 0.00 O ATOM 1487 CB GLN A 94 -0.343 7.091 -12.644 1.00 0.00 C ATOM 1488 CG GLN A 94 -1.400 6.665 -13.660 1.00 0.00 C ATOM 1489 CD GLN A 94 -2.487 7.703 -13.884 1.00 0.00 C ATOM 1490 OE1 GLN A 94 -2.339 8.605 -14.713 1.00 0.00 O ATOM 1491 NE2 GLN A 94 -3.601 7.558 -13.189 1.00 0.00 N ATOM 0 H GLN A 94 -1.807 5.161 -11.713 1.00 0.00 H new ATOM 0 HA GLN A 94 0.217 6.960 -10.588 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -0.138 8.152 -12.785 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.581 6.556 -12.863 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.912 6.452 -14.611 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.861 5.736 -13.324 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.685 6.799 -12.513 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.377 8.205 -13.329 1.00 0.00 H new ATOM 1500 N ASP A 95 -1.168 9.082 -10.356 1.00 0.00 N ATOM 1501 CA ASP A 95 -1.984 10.170 -9.844 1.00 0.00 C ATOM 1502 C ASP A 95 -2.390 11.107 -10.977 1.00 0.00 C ATOM 1503 O ASP A 95 -3.573 11.408 -11.153 1.00 0.00 O ATOM 1504 CB ASP A 95 -1.229 10.930 -8.741 1.00 0.00 C ATOM 1505 CG ASP A 95 0.070 11.564 -9.216 1.00 0.00 C ATOM 1506 OD1 ASP A 95 0.738 10.976 -10.099 1.00 0.00 O ATOM 1507 OD2 ASP A 95 0.412 12.654 -8.718 1.00 0.00 O ATOM 0 H ASP A 95 -0.180 9.313 -10.461 1.00 0.00 H new ATOM 0 HA ASP A 95 -2.892 9.754 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -1.877 11.708 -8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.010 10.243 -7.923 1.00 0.00 H new ATOM 1512 N LEU A 96 -1.408 11.561 -11.743 1.00 0.00 N ATOM 1513 CA LEU A 96 -1.660 12.392 -12.910 1.00 0.00 C ATOM 1514 C LEU A 96 -0.834 11.902 -14.091 1.00 0.00 C ATOM 1515 O LEU A 96 0.275 11.393 -13.916 1.00 0.00 O ATOM 1516 CB LEU A 96 -1.324 13.869 -12.644 1.00 0.00 C ATOM 1517 CG LEU A 96 -2.271 14.623 -11.704 1.00 0.00 C ATOM 1518 CD1 LEU A 96 -1.890 14.405 -10.248 1.00 0.00 C ATOM 1519 CD2 LEU A 96 -2.275 16.105 -12.040 1.00 0.00 C ATOM 0 H LEU A 96 -0.421 11.365 -11.574 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.723 12.316 -13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.317 13.921 -12.229 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.303 14.392 -13.600 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.277 14.228 -11.847 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.580 14.952 -9.606 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.942 13.342 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.875 14.765 -10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.952 16.629 -11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.268 16.506 -11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.609 16.244 -13.068 1.00 0.00 H new ATOM 1531 N PRO A 97 -1.369 12.026 -15.314 1.00 0.00 N ATOM 1532 CA PRO A 97 -0.619 11.730 -16.532 1.00 0.00 C ATOM 1533 C PRO A 97 0.407 12.818 -16.826 1.00 0.00 C ATOM 1534 O PRO A 97 1.452 12.562 -17.422 1.00 0.00 O ATOM 1535 CB PRO A 97 -1.691 11.692 -17.635 1.00 0.00 C ATOM 1536 CG PRO A 97 -3.007 11.758 -16.928 1.00 0.00 C ATOM 1537 CD PRO A 97 -2.747 12.432 -15.613 1.00 0.00 C ATOM 0 HA PRO A 97 -0.058 10.799 -16.453 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.574 12.530 -18.323 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.611 10.780 -18.227 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.735 12.318 -17.514 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.418 10.760 -16.778 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -2.844 13.515 -15.686 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -3.444 12.101 -14.843 1.00 0.00 H new ATOM 1545 N GLU A 98 0.112 14.028 -16.368 1.00 0.00 N ATOM 1546 CA GLU A 98 0.959 15.180 -16.636 1.00 0.00 C ATOM 1547 C GLU A 98 1.995 15.394 -15.541 1.00 0.00 C ATOM 1548 O GLU A 98 2.181 16.515 -15.058 1.00 0.00 O ATOM 1549 CB GLU A 98 0.109 16.439 -16.804 1.00 0.00 C ATOM 1550 CG GLU A 98 -0.633 16.491 -18.127 1.00 0.00 C ATOM 1551 CD GLU A 98 0.302 16.365 -19.312 1.00 0.00 C ATOM 1552 OE1 GLU A 98 1.064 17.316 -19.577 1.00 0.00 O ATOM 1553 OE2 GLU A 98 0.291 15.303 -19.968 1.00 0.00 O ATOM 0 H GLU A 98 -0.713 14.236 -15.806 1.00 0.00 H new ATOM 0 HA GLU A 98 1.494 14.978 -17.564 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.612 16.493 -15.989 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.751 17.316 -16.721 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.370 15.688 -18.160 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.182 17.430 -18.197 1.00 0.00 H new ATOM 1560 N ILE A 99 2.681 14.326 -15.158 1.00 0.00 N ATOM 1561 CA ILE A 99 3.822 14.458 -14.269 1.00 0.00 C ATOM 1562 C ILE A 99 4.949 15.095 -15.060 1.00 0.00 C ATOM 1563 O ILE A 99 5.577 14.447 -15.898 1.00 0.00 O ATOM 1564 CB ILE A 99 4.284 13.097 -13.698 1.00 0.00 C ATOM 1565 CG1 ILE A 99 3.172 12.460 -12.859 1.00 0.00 C ATOM 1566 CG2 ILE A 99 5.550 13.265 -12.865 1.00 0.00 C ATOM 1567 CD1 ILE A 99 2.779 13.278 -11.645 1.00 0.00 C ATOM 0 H ILE A 99 2.469 13.371 -15.446 1.00 0.00 H new ATOM 0 HA ILE A 99 3.536 15.073 -13.416 1.00 0.00 H new ATOM 0 HB ILE A 99 4.508 12.435 -14.534 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.293 12.314 -13.487 1.00 0.00 H new ATOM 0 HG13 ILE A 99 3.497 11.473 -12.531 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.858 12.296 -12.472 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.345 13.673 -13.489 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.353 13.946 -12.037 1.00 0.00 H new ATOM 0 HD11 ILE A 99 1.987 12.764 -11.101 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.645 13.403 -10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 99 2.422 14.257 -11.966 1.00 0.00 H new ATOM 1579 N THR A 100 5.179 16.369 -14.811 1.00 0.00 N ATOM 1580 CA THR A 100 6.037 17.161 -15.662 1.00 0.00 C ATOM 1581 C THR A 100 7.145 17.851 -14.885 1.00 0.00 C ATOM 1582 O THR A 100 6.930 18.370 -13.788 1.00 0.00 O ATOM 1583 CB THR A 100 5.210 18.217 -16.419 1.00 0.00 C ATOM 1584 OG1 THR A 100 4.209 18.771 -15.550 1.00 0.00 O ATOM 1585 CG2 THR A 100 4.544 17.611 -17.642 1.00 0.00 C ATOM 0 H THR A 100 4.780 16.877 -14.022 1.00 0.00 H new ATOM 0 HA THR A 100 6.503 16.474 -16.369 1.00 0.00 H new ATOM 0 HB THR A 100 5.886 19.007 -16.748 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.489 18.118 -15.423 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.966 18.377 -18.159 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.307 17.217 -18.314 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.881 16.803 -17.332 1.00 0.00 H new ATOM 1593 N ALA A 101 8.331 17.838 -15.464 1.00 0.00 N ATOM 1594 CA ALA A 101 9.464 18.550 -14.913 1.00 0.00 C ATOM 1595 C ALA A 101 9.984 19.550 -15.933 1.00 0.00 C ATOM 1596 O ALA A 101 10.258 19.194 -17.081 1.00 0.00 O ATOM 1597 CB ALA A 101 10.565 17.583 -14.507 1.00 0.00 C ATOM 0 H ALA A 101 8.534 17.334 -16.327 1.00 0.00 H new ATOM 0 HA ALA A 101 9.142 19.085 -14.020 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.406 18.141 -14.096 1.00 0.00 H new ATOM 0 HB2 ALA A 101 10.184 16.893 -13.754 1.00 0.00 H new ATOM 0 HB3 ALA A 101 10.895 17.020 -15.380 1.00 0.00 H new ATOM 1603 N GLN A 102 10.078 20.802 -15.521 1.00 0.00 N ATOM 1604 CA GLN A 102 10.606 21.854 -16.376 1.00 0.00 C ATOM 1605 C GLN A 102 11.357 22.865 -15.525 1.00 0.00 C ATOM 1606 O GLN A 102 11.038 23.050 -14.348 1.00 0.00 O ATOM 1607 CB GLN A 102 9.480 22.546 -17.153 1.00 0.00 C ATOM 1608 CG GLN A 102 8.508 23.320 -16.277 1.00 0.00 C ATOM 1609 CD GLN A 102 7.453 24.044 -17.087 1.00 0.00 C ATOM 1610 OE1 GLN A 102 6.311 23.406 -17.283 1.00 0.00 O flip ATOM 1611 NE2 GLN A 102 7.657 25.181 -17.515 1.00 0.00 N flip ATOM 0 H GLN A 102 9.794 21.118 -14.594 1.00 0.00 H new ATOM 0 HA GLN A 102 11.288 21.409 -17.101 1.00 0.00 H new ATOM 0 HB2 GLN A 102 9.920 23.229 -17.880 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.926 21.795 -17.716 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.022 22.634 -15.583 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.060 24.042 -15.676 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.552 25.638 -17.342 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.931 25.665 -18.042 1.00 0.00 H new ATOM 1620 N ARG A 103 12.362 23.498 -16.097 1.00 0.00 N ATOM 1621 CA ARG A 103 13.153 24.460 -15.353 1.00 0.00 C ATOM 1622 C ARG A 103 12.822 25.875 -15.795 1.00 0.00 C ATOM 1623 O ARG A 103 13.099 26.271 -16.929 1.00 0.00 O ATOM 1624 CB ARG A 103 14.646 24.175 -15.505 1.00 0.00 C ATOM 1625 CG ARG A 103 15.043 22.794 -15.009 1.00 0.00 C ATOM 1626 CD ARG A 103 16.549 22.601 -15.015 1.00 0.00 C ATOM 1627 NE ARG A 103 17.216 23.412 -13.998 1.00 0.00 N ATOM 1628 CZ ARG A 103 18.527 23.383 -13.771 1.00 0.00 C ATOM 1629 NH1 ARG A 103 19.322 22.625 -14.515 1.00 0.00 N ATOM 1630 NH2 ARG A 103 19.054 24.121 -12.803 1.00 0.00 N ATOM 0 H ARG A 103 12.649 23.366 -17.067 1.00 0.00 H new ATOM 0 HA ARG A 103 12.902 24.364 -14.297 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.923 24.271 -16.555 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.211 24.928 -14.956 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.662 22.648 -13.998 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.577 22.035 -15.637 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.779 21.549 -14.846 1.00 0.00 H new ATOM 0 HD3 ARG A 103 16.942 22.859 -15.998 1.00 0.00 H new ATOM 0 HE ARG A 103 16.644 24.036 -13.430 1.00 0.00 H new ATOM 0 HH11 ARG A 103 18.929 22.059 -15.267 1.00 0.00 H new ATOM 0 HH12 ARG A 103 20.326 22.608 -14.335 1.00 0.00 H new ATOM 0 HH21 ARG A 103 18.454 24.714 -12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 103 20.059 24.096 -12.632 1.00 0.00 H new ATOM 1644 N GLN A 104 12.216 26.624 -14.887 1.00 0.00 N ATOM 1645 CA GLN A 104 11.790 27.985 -15.164 1.00 0.00 C ATOM 1646 C GLN A 104 13.001 28.896 -15.304 1.00 0.00 C ATOM 1647 O GLN A 104 13.703 29.168 -14.333 1.00 0.00 O ATOM 1648 CB GLN A 104 10.870 28.484 -14.048 1.00 0.00 C ATOM 1649 CG GLN A 104 9.637 27.616 -13.857 1.00 0.00 C ATOM 1650 CD GLN A 104 8.774 28.066 -12.696 1.00 0.00 C ATOM 1651 OE1 GLN A 104 7.866 28.880 -12.860 1.00 0.00 O ATOM 1652 NE2 GLN A 104 9.043 27.531 -11.516 1.00 0.00 N ATOM 0 H GLN A 104 12.007 26.306 -13.941 1.00 0.00 H new ATOM 0 HA GLN A 104 11.237 27.999 -16.103 1.00 0.00 H new ATOM 0 HB2 GLN A 104 11.430 28.520 -13.113 1.00 0.00 H new ATOM 0 HB3 GLN A 104 10.558 29.504 -14.272 1.00 0.00 H new ATOM 0 HG2 GLN A 104 9.044 27.630 -14.771 1.00 0.00 H new ATOM 0 HG3 GLN A 104 9.947 26.584 -13.694 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.805 26.859 -11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.488 27.790 -10.700 1.00 0.00 H new ATOM 1661 N LEU A 105 13.234 29.363 -16.521 1.00 0.00 N ATOM 1662 CA LEU A 105 14.419 30.155 -16.833 1.00 0.00 C ATOM 1663 C LEU A 105 14.240 31.623 -16.443 1.00 0.00 C ATOM 1664 O LEU A 105 15.024 32.482 -16.846 1.00 0.00 O ATOM 1665 CB LEU A 105 14.778 30.037 -18.324 1.00 0.00 C ATOM 1666 CG LEU A 105 13.702 30.482 -19.326 1.00 0.00 C ATOM 1667 CD1 LEU A 105 14.330 30.724 -20.686 1.00 0.00 C ATOM 1668 CD2 LEU A 105 12.600 29.438 -19.452 1.00 0.00 C ATOM 0 H LEU A 105 12.614 29.207 -17.316 1.00 0.00 H new ATOM 0 HA LEU A 105 15.241 29.753 -16.241 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.677 30.625 -18.506 1.00 0.00 H new ATOM 0 HB3 LEU A 105 15.030 28.997 -18.533 1.00 0.00 H new ATOM 0 HG LEU A 105 13.259 31.406 -18.956 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.561 31.039 -21.391 1.00 0.00 H new ATOM 0 HD12 LEU A 105 15.088 31.503 -20.603 1.00 0.00 H new ATOM 0 HD13 LEU A 105 14.793 29.804 -21.042 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.853 29.782 -20.168 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.028 28.497 -19.797 1.00 0.00 H new ATOM 0 HD23 LEU A 105 12.129 29.287 -18.481 1.00 0.00 H new ATOM 1680 N ARG A 106 13.208 31.908 -15.663 1.00 0.00 N ATOM 1681 CA ARG A 106 13.007 33.246 -15.121 1.00 0.00 C ATOM 1682 C ARG A 106 12.874 33.161 -13.609 1.00 0.00 C ATOM 1683 O ARG A 106 11.746 32.935 -13.125 1.00 0.00 O ATOM 1684 CB ARG A 106 11.759 33.929 -15.702 1.00 0.00 C ATOM 1685 CG ARG A 106 11.760 34.105 -17.215 1.00 0.00 C ATOM 1686 CD ARG A 106 11.395 32.817 -17.934 1.00 0.00 C ATOM 1687 NE ARG A 106 10.171 32.219 -17.398 1.00 0.00 N ATOM 1688 CZ ARG A 106 9.296 31.529 -18.126 1.00 0.00 C ATOM 1689 NH1 ARG A 106 9.492 31.367 -19.429 1.00 0.00 N ATOM 1690 NH2 ARG A 106 8.221 31.013 -17.549 1.00 0.00 N ATOM 1691 OXT ARG A 106 13.900 33.290 -12.913 1.00 0.00 O ATOM 0 H ARG A 106 12.496 31.231 -15.390 1.00 0.00 H new ATOM 0 HA ARG A 106 13.872 33.848 -15.399 1.00 0.00 H new ATOM 0 HB2 ARG A 106 10.882 33.346 -15.421 1.00 0.00 H new ATOM 0 HB3 ARG A 106 11.652 34.910 -15.238 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.053 34.888 -17.490 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.746 34.437 -17.542 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.264 33.019 -18.997 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.216 32.106 -17.843 1.00 0.00 H new ATOM 0 HE ARG A 106 9.976 32.339 -16.404 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.315 31.772 -19.875 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.820 30.838 -19.984 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.066 31.145 -16.550 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.549 30.484 -18.104 1.00 0.00 H new TER 1705 ARG A 106