USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 THR OG1 : rot -52:sc= -3.52! USER MOD Set 1.2: A 70 MET CE :methyl -127:sc= -0.451 (180deg=-0.62) USER MOD Set 2.1: A 43 GLN : amide:sc= -1.24 K(o=-4.6,f=-10!) USER MOD Set 2.2: A 44 GLN : amide:sc= -3.36 K(o=-4.6,f=-10!) USER MOD Set 3.1: A 11 TYR OH : rot 30:sc= 0 USER MOD Set 3.2: A 15 HIS : no HD1:sc= -0.539 K(o=-0.54,f=-1.3) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.315 (180deg=-1.16) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 CYS SG : rot -36:sc= 0.529 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 13 SER OG : rot -70:sc= 0.863 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.033 X(o=-0.033,f=-0.23) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0134 K(o=-0.013,f=-1.6!) USER MOD Single : A 29 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-1.9) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.116 USER MOD Single : A 38 SER OG : rot -40:sc= 0.965 USER MOD Single : A 39 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.01) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.22) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.028) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -23:sc= 0.979 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.716 USER MOD Single : A 78 ASN : amide:sc= -0.367 X(o=-0.37,f=-0.37) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot -62:sc= 0.0505 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -157:sc= -0.0629 (180deg=-0.358) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= -0.0184 (180deg=-0.157) USER MOD Single : A 94 CYS SG : rot -111:sc= -2.63! USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.133 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.079 -0.035 -0.135 1.00 0.00 N ATOM 2 CA MET A 1 0.750 0.095 -1.328 1.00 0.00 C ATOM 3 C MET A 1 0.050 -0.504 -2.543 1.00 0.00 C ATOM 4 O MET A 1 -0.418 -1.642 -2.503 1.00 0.00 O ATOM 5 CB MET A 1 2.101 -0.590 -1.113 1.00 0.00 C ATOM 6 CG MET A 1 3.224 0.007 -1.947 1.00 0.00 C ATOM 7 SD MET A 1 4.810 -0.011 -1.090 1.00 0.00 S ATOM 8 CE MET A 1 5.769 1.086 -2.131 1.00 0.00 C ATOM 0 H1 MET A 1 0.417 0.379 0.680 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.980 0.464 -0.282 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.267 -1.041 0.049 1.00 0.00 H new ATOM 0 HA MET A 1 0.915 1.157 -1.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.368 -0.525 -0.058 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.005 -1.649 -1.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.313 -0.549 -2.880 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.969 1.034 -2.211 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.543 1.569 -1.535 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.234 0.513 -2.933 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.115 1.845 -2.560 1.00 0.00 H new ATOM 18 N ASP A 2 -0.017 0.268 -3.622 1.00 0.00 N ATOM 19 CA ASP A 2 -0.659 -0.188 -4.850 1.00 0.00 C ATOM 20 C ASP A 2 0.264 -1.116 -5.633 1.00 0.00 C ATOM 21 O ASP A 2 1.485 -0.972 -5.594 1.00 0.00 O ATOM 22 CB ASP A 2 -1.056 1.008 -5.717 1.00 0.00 C ATOM 23 CG ASP A 2 -2.379 0.796 -6.425 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.396 0.086 -7.452 1.00 0.00 O ATOM 25 OD2 ASP A 2 -3.399 1.341 -5.952 1.00 0.00 O ATOM 0 H ASP A 2 0.365 1.212 -3.672 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.557 -0.743 -4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.120 1.900 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.277 1.191 -6.457 1.00 0.00 H new ATOM 30 N ASN A 3 -0.329 -2.070 -6.344 1.00 0.00 N ATOM 31 CA ASN A 3 0.440 -3.023 -7.136 1.00 0.00 C ATOM 32 C ASN A 3 1.338 -2.301 -8.135 1.00 0.00 C ATOM 33 O ASN A 3 2.515 -2.633 -8.280 1.00 0.00 O ATOM 34 CB ASN A 3 -0.499 -3.978 -7.875 1.00 0.00 C ATOM 35 CG ASN A 3 -1.233 -4.912 -6.933 1.00 0.00 C ATOM 36 OD1 ASN A 3 -2.377 -4.658 -6.554 1.00 0.00 O ATOM 37 ND2 ASN A 3 -0.576 -6.001 -6.549 1.00 0.00 N ATOM 0 H ASN A 3 -1.339 -2.203 -6.388 1.00 0.00 H new ATOM 0 HA ASN A 3 1.070 -3.597 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.225 -3.399 -8.447 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.075 -4.566 -8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -1.018 -6.667 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.371 -6.172 -6.888 1.00 0.00 H new ATOM 44 N ARG A 4 0.776 -1.311 -8.821 1.00 0.00 N ATOM 45 CA ARG A 4 1.525 -0.542 -9.807 1.00 0.00 C ATOM 46 C ARG A 4 2.675 0.213 -9.147 1.00 0.00 C ATOM 47 O ARG A 4 3.740 0.385 -9.741 1.00 0.00 O ATOM 48 CB ARG A 4 0.602 0.442 -10.527 1.00 0.00 C ATOM 49 CG ARG A 4 0.031 1.518 -9.619 1.00 0.00 C ATOM 50 CD ARG A 4 0.868 2.787 -9.663 1.00 0.00 C ATOM 51 NE ARG A 4 0.961 3.334 -11.014 1.00 0.00 N ATOM 52 CZ ARG A 4 0.041 4.128 -11.550 1.00 0.00 C ATOM 53 NH1 ARG A 4 -1.035 4.466 -10.854 1.00 0.00 N ATOM 54 NH2 ARG A 4 0.197 4.586 -12.786 1.00 0.00 N ATOM 0 H ARG A 4 -0.196 -1.023 -8.712 1.00 0.00 H new ATOM 0 HA ARG A 4 1.940 -1.239 -10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.154 0.918 -11.338 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.220 -0.111 -10.982 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.992 1.745 -9.921 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.014 1.146 -8.596 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.431 3.533 -8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.869 2.574 -9.288 1.00 0.00 H new ATOM 0 HE ARG A 4 1.777 3.093 -11.577 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.158 4.116 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.740 5.076 -11.268 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.024 4.328 -13.325 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.510 5.196 -13.197 1.00 0.00 H new ATOM 68 N VAL A 5 2.453 0.662 -7.916 1.00 0.00 N ATOM 69 CA VAL A 5 3.470 1.399 -7.176 1.00 0.00 C ATOM 70 C VAL A 5 4.725 0.556 -6.980 1.00 0.00 C ATOM 71 O VAL A 5 5.844 1.063 -7.055 1.00 0.00 O ATOM 72 CB VAL A 5 2.947 1.848 -5.798 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.038 2.568 -5.021 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.721 2.734 -5.958 1.00 0.00 C ATOM 0 H VAL A 5 1.578 0.528 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 5 3.716 2.281 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 5 2.657 0.963 -5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.650 2.878 -4.051 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.885 1.897 -4.876 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.363 3.446 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.364 3.042 -4.975 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.983 3.616 -6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.936 2.179 -6.471 1.00 0.00 H new ATOM 84 N ARG A 6 4.531 -0.735 -6.729 1.00 0.00 N ATOM 85 CA ARG A 6 5.648 -1.649 -6.522 1.00 0.00 C ATOM 86 C ARG A 6 6.456 -1.821 -7.805 1.00 0.00 C ATOM 87 O ARG A 6 7.682 -1.910 -7.770 1.00 0.00 O ATOM 88 CB ARG A 6 5.139 -3.009 -6.042 1.00 0.00 C ATOM 89 CG ARG A 6 6.142 -3.769 -5.189 1.00 0.00 C ATOM 90 CD ARG A 6 5.498 -4.314 -3.924 1.00 0.00 C ATOM 91 NE ARG A 6 6.310 -5.356 -3.302 1.00 0.00 N ATOM 92 CZ ARG A 6 6.473 -6.568 -3.820 1.00 0.00 C ATOM 93 NH1 ARG A 6 5.883 -6.888 -4.964 1.00 0.00 N ATOM 94 NH2 ARG A 6 7.227 -7.463 -3.195 1.00 0.00 N ATOM 0 H ARG A 6 3.611 -1.171 -6.664 1.00 0.00 H new ATOM 0 HA ARG A 6 6.298 -1.221 -5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.224 -2.863 -5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.878 -3.616 -6.909 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.564 -4.591 -5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.968 -3.110 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.347 -3.500 -3.215 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.513 -4.716 -4.163 1.00 0.00 H new ATOM 0 HE ARG A 6 6.778 -5.141 -2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.303 -6.203 -5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.010 -7.819 -5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.683 -7.221 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.351 -8.393 -3.594 1.00 0.00 H new ATOM 108 N GLU A 7 5.758 -1.867 -8.936 1.00 0.00 N ATOM 109 CA GLU A 7 6.411 -2.029 -10.230 1.00 0.00 C ATOM 110 C GLU A 7 7.146 -0.754 -10.632 1.00 0.00 C ATOM 111 O GLU A 7 8.197 -0.805 -11.270 1.00 0.00 O ATOM 112 CB GLU A 7 5.383 -2.398 -11.302 1.00 0.00 C ATOM 113 CG GLU A 7 5.006 -3.870 -11.302 1.00 0.00 C ATOM 114 CD GLU A 7 4.060 -4.230 -12.431 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.839 -4.018 -12.273 1.00 0.00 O ATOM 116 OE2 GLU A 7 4.541 -4.723 -13.473 1.00 0.00 O ATOM 0 H GLU A 7 4.742 -1.794 -8.982 1.00 0.00 H new ATOM 0 HA GLU A 7 7.139 -2.835 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.483 -1.801 -11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.781 -2.133 -12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.910 -4.473 -11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.541 -4.122 -10.349 1.00 0.00 H new ATOM 123 N ALA A 8 6.584 0.390 -10.254 1.00 0.00 N ATOM 124 CA ALA A 8 7.186 1.679 -10.573 1.00 0.00 C ATOM 125 C ALA A 8 8.415 1.940 -9.709 1.00 0.00 C ATOM 126 O ALA A 8 9.463 2.349 -10.211 1.00 0.00 O ATOM 127 CB ALA A 8 6.167 2.795 -10.397 1.00 0.00 C ATOM 0 H ALA A 8 5.713 0.450 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 8 7.506 1.655 -11.615 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.630 3.752 -10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.321 2.623 -11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.819 2.811 -9.364 1.00 0.00 H new ATOM 133 N CYS A 9 8.280 1.702 -8.410 1.00 0.00 N ATOM 134 CA CYS A 9 9.379 1.914 -7.475 1.00 0.00 C ATOM 135 C CYS A 9 10.552 0.994 -7.799 1.00 0.00 C ATOM 136 O CYS A 9 11.709 1.345 -7.570 1.00 0.00 O ATOM 137 CB CYS A 9 8.909 1.675 -6.039 1.00 0.00 C ATOM 138 SG CYS A 9 8.797 -0.070 -5.580 1.00 0.00 S ATOM 0 H CYS A 9 7.420 1.362 -7.980 1.00 0.00 H new ATOM 0 HA CYS A 9 9.712 2.947 -7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.594 2.176 -5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.931 2.138 -5.906 1.00 0.00 H new ATOM 0 HG CYS A 9 8.393 -0.763 -6.603 1.00 0.00 H new ATOM 144 N GLN A 10 10.244 -0.185 -8.330 1.00 0.00 N ATOM 145 CA GLN A 10 11.273 -1.156 -8.683 1.00 0.00 C ATOM 146 C GLN A 10 12.185 -0.610 -9.776 1.00 0.00 C ATOM 147 O GLN A 10 13.392 -0.855 -9.771 1.00 0.00 O ATOM 148 CB GLN A 10 10.631 -2.465 -9.144 1.00 0.00 C ATOM 149 CG GLN A 10 11.640 -3.547 -9.493 1.00 0.00 C ATOM 150 CD GLN A 10 12.321 -4.127 -8.269 1.00 0.00 C ATOM 151 OE1 GLN A 10 11.663 -4.493 -7.294 1.00 0.00 O ATOM 152 NE2 GLN A 10 13.645 -4.215 -8.312 1.00 0.00 N ATOM 0 H GLN A 10 9.291 -0.491 -8.525 1.00 0.00 H new ATOM 0 HA GLN A 10 11.876 -1.348 -7.795 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.972 -2.834 -8.358 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.007 -2.267 -10.015 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.136 -4.346 -10.037 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.395 -3.133 -10.162 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.150 -3.900 -9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.157 -4.598 -7.517 1.00 0.00 H new ATOM 161 N TYR A 11 11.602 0.131 -10.711 1.00 0.00 N ATOM 162 CA TYR A 11 12.362 0.710 -11.813 1.00 0.00 C ATOM 163 C TYR A 11 13.285 1.817 -11.315 1.00 0.00 C ATOM 164 O TYR A 11 14.437 1.917 -11.738 1.00 0.00 O ATOM 165 CB TYR A 11 11.414 1.262 -12.879 1.00 0.00 C ATOM 166 CG TYR A 11 12.107 2.106 -13.926 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.150 1.589 -14.684 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.718 3.420 -14.155 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.786 2.356 -15.641 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.347 4.194 -15.111 1.00 0.00 C ATOM 171 CZ TYR A 11 13.380 3.658 -15.851 1.00 0.00 C ATOM 172 OH TYR A 11 14.011 4.426 -16.803 1.00 0.00 O ATOM 0 H TYR A 11 10.605 0.345 -10.728 1.00 0.00 H new ATOM 0 HA TYR A 11 12.974 -0.078 -12.253 1.00 0.00 H new ATOM 0 HB2 TYR A 11 10.909 0.430 -13.370 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.643 1.861 -12.393 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.469 0.570 -14.522 1.00 0.00 H new ATOM 0 HD2 TYR A 11 10.911 3.843 -13.576 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.596 1.939 -16.221 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.031 5.213 -15.278 1.00 0.00 H new ATOM 0 HH TYR A 11 14.341 3.849 -17.523 1.00 0.00 H new ATOM 182 N ILE A 12 12.771 2.647 -10.413 1.00 0.00 N ATOM 183 CA ILE A 12 13.549 3.746 -9.855 1.00 0.00 C ATOM 184 C ILE A 12 14.778 3.229 -9.115 1.00 0.00 C ATOM 185 O ILE A 12 15.867 3.792 -9.231 1.00 0.00 O ATOM 186 CB ILE A 12 12.705 4.601 -8.891 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.438 5.097 -9.591 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.522 5.773 -8.369 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.442 5.741 -8.653 1.00 0.00 C ATOM 0 H ILE A 12 11.819 2.579 -10.053 1.00 0.00 H new ATOM 0 HA ILE A 12 13.867 4.366 -10.694 1.00 0.00 H new ATOM 0 HB ILE A 12 12.411 3.983 -8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.716 5.816 -10.362 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.959 4.258 -10.096 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.912 6.368 -7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.397 5.399 -7.838 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.843 6.394 -9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.569 6.069 -9.218 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.135 5.019 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.903 6.601 -8.167 1.00 0.00 H new ATOM 201 N SER A 13 14.597 2.153 -8.356 1.00 0.00 N ATOM 202 CA SER A 13 15.691 1.561 -7.595 1.00 0.00 C ATOM 203 C SER A 13 16.845 1.174 -8.515 1.00 0.00 C ATOM 204 O SER A 13 18.012 1.257 -8.132 1.00 0.00 O ATOM 205 CB SER A 13 15.200 0.331 -6.829 1.00 0.00 C ATOM 206 OG SER A 13 15.289 -0.836 -7.628 1.00 0.00 O ATOM 0 H SER A 13 13.703 1.673 -8.252 1.00 0.00 H new ATOM 0 HA SER A 13 16.050 2.304 -6.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 15.793 0.202 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 13 14.167 0.483 -6.515 1.00 0.00 H new ATOM 0 HG SER A 13 14.621 -0.794 -8.343 1.00 0.00 H new ATOM 212 N ASP A 14 16.510 0.752 -9.729 1.00 0.00 N ATOM 213 CA ASP A 14 17.517 0.353 -10.705 1.00 0.00 C ATOM 214 C ASP A 14 18.348 1.553 -11.150 1.00 0.00 C ATOM 215 O ASP A 14 19.496 1.405 -11.570 1.00 0.00 O ATOM 216 CB ASP A 14 16.853 -0.300 -11.917 1.00 0.00 C ATOM 217 CG ASP A 14 17.849 -0.652 -13.004 1.00 0.00 C ATOM 218 OD1 ASP A 14 18.909 -1.226 -12.675 1.00 0.00 O ATOM 219 OD2 ASP A 14 17.569 -0.354 -14.184 1.00 0.00 O ATOM 0 H ASP A 14 15.548 0.677 -10.061 1.00 0.00 H new ATOM 0 HA ASP A 14 18.180 -0.370 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.332 -1.203 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 14 16.100 0.376 -12.323 1.00 0.00 H new ATOM 224 N HIS A 15 17.760 2.741 -11.055 1.00 0.00 N ATOM 225 CA HIS A 15 18.446 3.967 -11.448 1.00 0.00 C ATOM 226 C HIS A 15 18.825 4.795 -10.223 1.00 0.00 C ATOM 227 O HIS A 15 19.105 5.989 -10.331 1.00 0.00 O ATOM 228 CB HIS A 15 17.562 4.793 -12.383 1.00 0.00 C ATOM 229 CG HIS A 15 17.338 4.152 -13.718 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.592 4.793 -14.912 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.884 2.920 -14.043 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.301 3.983 -15.914 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.870 2.839 -15.414 1.00 0.00 N ATOM 0 H HIS A 15 16.811 2.881 -10.710 1.00 0.00 H new ATOM 0 HA HIS A 15 19.360 3.690 -11.974 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.598 4.961 -11.903 1.00 0.00 H new ATOM 0 HB3 HIS A 15 18.019 5.771 -12.531 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.588 2.144 -13.353 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.399 4.217 -16.964 1.00 0.00 H new ATOM 0 HE2 HIS A 15 16.575 2.028 -15.957 1.00 0.00 H new ATOM 241 N LEU A 16 18.830 4.153 -9.060 1.00 0.00 N ATOM 242 CA LEU A 16 19.174 4.829 -7.815 1.00 0.00 C ATOM 243 C LEU A 16 20.538 5.503 -7.920 1.00 0.00 C ATOM 244 O LEU A 16 20.723 6.628 -7.455 1.00 0.00 O ATOM 245 CB LEU A 16 19.172 3.834 -6.653 1.00 0.00 C ATOM 246 CG LEU A 16 18.955 4.427 -5.261 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.618 5.149 -5.191 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.032 3.339 -4.200 1.00 0.00 C ATOM 0 H LEU A 16 18.600 3.165 -8.954 1.00 0.00 H new ATOM 0 HA LEU A 16 18.423 5.597 -7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.393 3.094 -6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 16 20.123 3.302 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 16 19.746 5.151 -5.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.481 5.565 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.601 5.955 -5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.813 4.446 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 16 18.875 3.779 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 16 18.262 2.591 -4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.014 2.866 -4.234 1.00 0.00 H new ATOM 260 N ALA A 17 21.490 4.809 -8.535 1.00 0.00 N ATOM 261 CA ALA A 17 22.836 5.342 -8.705 1.00 0.00 C ATOM 262 C ALA A 17 22.920 6.238 -9.936 1.00 0.00 C ATOM 263 O ALA A 17 23.820 7.071 -10.049 1.00 0.00 O ATOM 264 CB ALA A 17 23.844 4.207 -8.805 1.00 0.00 C ATOM 0 H ALA A 17 21.354 3.876 -8.924 1.00 0.00 H new ATOM 0 HA ALA A 17 23.074 5.948 -7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.845 4.619 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.810 3.609 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.600 3.578 -9.661 1.00 0.00 H new ATOM 270 N ASP A 18 21.979 6.060 -10.857 1.00 0.00 N ATOM 271 CA ASP A 18 21.947 6.853 -12.080 1.00 0.00 C ATOM 272 C ASP A 18 21.298 8.211 -11.831 1.00 0.00 C ATOM 273 O ASP A 18 20.229 8.297 -11.227 1.00 0.00 O ATOM 274 CB ASP A 18 21.189 6.105 -13.178 1.00 0.00 C ATOM 275 CG ASP A 18 22.089 5.184 -13.979 1.00 0.00 C ATOM 276 OD1 ASP A 18 22.767 5.675 -14.906 1.00 0.00 O ATOM 277 OD2 ASP A 18 22.115 3.972 -13.678 1.00 0.00 O ATOM 0 H ASP A 18 21.228 5.374 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 18 22.975 7.016 -12.405 1.00 0.00 H new ATOM 0 HB2 ASP A 18 20.385 5.522 -12.728 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.722 6.826 -13.849 1.00 0.00 H new ATOM 282 N SER A 19 21.952 9.268 -12.300 1.00 0.00 N ATOM 283 CA SER A 19 21.441 10.623 -12.124 1.00 0.00 C ATOM 284 C SER A 19 20.311 10.910 -13.108 1.00 0.00 C ATOM 285 O SER A 19 19.430 11.725 -12.839 1.00 0.00 O ATOM 286 CB SER A 19 22.566 11.643 -12.309 1.00 0.00 C ATOM 287 OG SER A 19 23.799 11.135 -11.831 1.00 0.00 O ATOM 0 H SER A 19 22.837 9.213 -12.805 1.00 0.00 H new ATOM 0 HA SER A 19 21.047 10.707 -11.111 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.659 11.899 -13.364 1.00 0.00 H new ATOM 0 HB3 SER A 19 22.318 12.563 -11.779 1.00 0.00 H new ATOM 0 HG SER A 19 24.502 11.805 -11.962 1.00 0.00 H new ATOM 293 N ASN A 20 20.345 10.233 -14.252 1.00 0.00 N ATOM 294 CA ASN A 20 19.325 10.415 -15.278 1.00 0.00 C ATOM 295 C ASN A 20 18.014 9.753 -14.865 1.00 0.00 C ATOM 296 O ASN A 20 17.813 8.558 -15.085 1.00 0.00 O ATOM 297 CB ASN A 20 19.805 9.836 -16.611 1.00 0.00 C ATOM 298 CG ASN A 20 21.236 10.222 -16.928 1.00 0.00 C ATOM 299 OD1 ASN A 20 22.175 9.501 -16.590 1.00 0.00 O ATOM 300 ND2 ASN A 20 21.409 11.366 -17.580 1.00 0.00 N ATOM 0 H ASN A 20 21.068 9.554 -14.491 1.00 0.00 H new ATOM 0 HA ASN A 20 19.149 11.484 -15.396 1.00 0.00 H new ATOM 0 HB2 ASN A 20 19.723 8.749 -16.583 1.00 0.00 H new ATOM 0 HB3 ASN A 20 19.152 10.184 -17.411 1.00 0.00 H new ATOM 0 HD21 ASN A 20 22.350 11.679 -17.820 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.601 11.932 -17.840 1.00 0.00 H new ATOM 307 N PHE A 21 17.125 10.537 -14.266 1.00 0.00 N ATOM 308 CA PHE A 21 15.833 10.028 -13.822 1.00 0.00 C ATOM 309 C PHE A 21 14.691 10.737 -14.544 1.00 0.00 C ATOM 310 O PHE A 21 14.523 11.950 -14.421 1.00 0.00 O ATOM 311 CB PHE A 21 15.683 10.205 -12.309 1.00 0.00 C ATOM 312 CG PHE A 21 14.414 9.620 -11.760 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.994 8.357 -12.147 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.642 10.331 -10.855 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.826 7.816 -11.643 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.474 9.795 -10.347 1.00 0.00 C ATOM 317 CZ PHE A 21 12.066 8.535 -10.741 1.00 0.00 C ATOM 0 H PHE A 21 17.275 11.528 -14.077 1.00 0.00 H new ATOM 0 HA PHE A 21 15.788 8.966 -14.063 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.533 9.740 -11.811 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.716 11.268 -12.071 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.586 7.789 -12.850 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.957 11.316 -10.543 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.508 6.832 -11.954 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.881 10.360 -9.643 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.154 8.113 -10.344 1.00 0.00 H new ATOM 327 N ASP A 22 13.910 9.972 -15.298 1.00 0.00 N ATOM 328 CA ASP A 22 12.783 10.525 -16.040 1.00 0.00 C ATOM 329 C ASP A 22 11.464 9.952 -15.533 1.00 0.00 C ATOM 330 O ASP A 22 11.181 8.767 -15.712 1.00 0.00 O ATOM 331 CB ASP A 22 12.938 10.237 -17.534 1.00 0.00 C ATOM 332 CG ASP A 22 11.832 10.861 -18.362 1.00 0.00 C ATOM 333 OD1 ASP A 22 11.074 11.687 -17.812 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.724 10.523 -19.560 1.00 0.00 O ATOM 0 H ASP A 22 14.037 8.966 -15.412 1.00 0.00 H new ATOM 0 HA ASP A 22 12.772 11.604 -15.885 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.901 10.615 -17.876 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.944 9.159 -17.694 1.00 0.00 H new ATOM 339 N ILE A 23 10.661 10.800 -14.898 1.00 0.00 N ATOM 340 CA ILE A 23 9.372 10.377 -14.365 1.00 0.00 C ATOM 341 C ILE A 23 8.512 9.736 -15.449 1.00 0.00 C ATOM 342 O ILE A 23 7.647 8.909 -15.162 1.00 0.00 O ATOM 343 CB ILE A 23 8.602 11.560 -13.749 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.385 11.055 -12.972 1.00 0.00 C ATOM 345 CG2 ILE A 23 8.178 12.539 -14.833 1.00 0.00 C ATOM 346 CD1 ILE A 23 7.134 11.809 -11.685 1.00 0.00 C ATOM 0 H ILE A 23 10.881 11.784 -14.740 1.00 0.00 H new ATOM 0 HA ILE A 23 9.579 9.643 -13.586 1.00 0.00 H new ATOM 0 HB ILE A 23 9.261 12.082 -13.055 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.502 11.131 -13.606 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.523 9.998 -12.743 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.635 13.369 -14.381 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.062 12.919 -15.346 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.533 12.031 -15.550 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.256 11.397 -11.187 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.001 11.712 -11.031 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.964 12.862 -11.908 1.00 0.00 H new ATOM 358 N ALA A 24 8.758 10.121 -16.697 1.00 0.00 N ATOM 359 CA ALA A 24 8.010 9.581 -17.825 1.00 0.00 C ATOM 360 C ALA A 24 8.242 8.081 -17.971 1.00 0.00 C ATOM 361 O ALA A 24 7.305 7.318 -18.201 1.00 0.00 O ATOM 362 CB ALA A 24 8.394 10.304 -19.108 1.00 0.00 C ATOM 0 H ALA A 24 9.470 10.805 -16.952 1.00 0.00 H new ATOM 0 HA ALA A 24 6.949 9.741 -17.635 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.828 9.890 -19.942 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.170 11.366 -19.008 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.460 10.174 -19.294 1.00 0.00 H new ATOM 368 N SER A 25 9.498 7.666 -17.835 1.00 0.00 N ATOM 369 CA SER A 25 9.854 6.257 -17.956 1.00 0.00 C ATOM 370 C SER A 25 9.182 5.431 -16.863 1.00 0.00 C ATOM 371 O SER A 25 8.862 4.259 -17.063 1.00 0.00 O ATOM 372 CB SER A 25 11.372 6.085 -17.881 1.00 0.00 C ATOM 373 OG SER A 25 11.991 6.479 -19.094 1.00 0.00 O ATOM 0 H SER A 25 10.285 8.285 -17.641 1.00 0.00 H new ATOM 0 HA SER A 25 9.503 5.900 -18.924 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.768 6.679 -17.057 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.613 5.044 -17.668 1.00 0.00 H new ATOM 0 HG SER A 25 12.961 6.361 -19.020 1.00 0.00 H new ATOM 379 N VAL A 26 8.972 6.051 -15.707 1.00 0.00 N ATOM 380 CA VAL A 26 8.338 5.376 -14.581 1.00 0.00 C ATOM 381 C VAL A 26 6.877 5.059 -14.882 1.00 0.00 C ATOM 382 O VAL A 26 6.419 3.936 -14.675 1.00 0.00 O ATOM 383 CB VAL A 26 8.414 6.227 -13.300 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.944 5.425 -12.096 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.828 6.745 -13.087 1.00 0.00 C ATOM 0 H VAL A 26 9.232 7.020 -15.525 1.00 0.00 H new ATOM 0 HA VAL A 26 8.884 4.446 -14.422 1.00 0.00 H new ATOM 0 HB VAL A 26 7.751 7.085 -13.416 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.005 6.043 -11.201 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.912 5.109 -12.249 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.578 4.547 -11.974 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.863 7.344 -12.177 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.514 5.903 -12.993 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.122 7.360 -13.938 1.00 0.00 H new ATOM 395 N ALA A 27 6.150 6.058 -15.372 1.00 0.00 N ATOM 396 CA ALA A 27 4.741 5.885 -15.705 1.00 0.00 C ATOM 397 C ALA A 27 4.568 4.936 -16.886 1.00 0.00 C ATOM 398 O ALA A 27 3.670 4.095 -16.891 1.00 0.00 O ATOM 399 CB ALA A 27 4.102 7.232 -16.009 1.00 0.00 C ATOM 0 H ALA A 27 6.513 6.995 -15.547 1.00 0.00 H new ATOM 0 HA ALA A 27 4.241 5.444 -14.843 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.050 7.088 -16.256 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.185 7.879 -15.136 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.613 7.695 -16.853 1.00 0.00 H new ATOM 405 N GLN A 28 5.433 5.078 -17.885 1.00 0.00 N ATOM 406 CA GLN A 28 5.374 4.234 -19.072 1.00 0.00 C ATOM 407 C GLN A 28 5.620 2.772 -18.713 1.00 0.00 C ATOM 408 O GLN A 28 5.017 1.869 -19.294 1.00 0.00 O ATOM 409 CB GLN A 28 6.402 4.698 -20.106 1.00 0.00 C ATOM 410 CG GLN A 28 6.467 3.811 -21.339 1.00 0.00 C ATOM 411 CD GLN A 28 7.187 4.474 -22.497 1.00 0.00 C ATOM 412 OE1 GLN A 28 7.472 5.671 -22.462 1.00 0.00 O ATOM 413 NE2 GLN A 28 7.486 3.697 -23.531 1.00 0.00 N ATOM 0 H GLN A 28 6.183 5.769 -17.896 1.00 0.00 H new ATOM 0 HA GLN A 28 4.375 4.321 -19.500 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.162 5.716 -20.413 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.386 4.729 -19.639 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.974 2.880 -21.086 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.455 3.549 -21.647 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.231 2.710 -23.518 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.971 4.087 -24.339 1.00 0.00 H new ATOM 422 N HIS A 29 6.511 2.546 -17.753 1.00 0.00 N ATOM 423 CA HIS A 29 6.837 1.193 -17.316 1.00 0.00 C ATOM 424 C HIS A 29 5.586 0.458 -16.843 1.00 0.00 C ATOM 425 O HIS A 29 5.469 -0.757 -17.004 1.00 0.00 O ATOM 426 CB HIS A 29 7.874 1.233 -16.193 1.00 0.00 C ATOM 427 CG HIS A 29 7.998 -0.060 -15.447 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.083 -1.286 -16.073 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.054 -0.313 -14.119 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.184 -2.237 -15.162 1.00 0.00 C ATOM 431 NE2 HIS A 29 8.169 -1.674 -13.968 1.00 0.00 N ATOM 0 H HIS A 29 7.020 3.282 -17.263 1.00 0.00 H new ATOM 0 HA HIS A 29 7.254 0.654 -18.167 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.845 1.494 -16.615 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.608 2.024 -15.492 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.015 0.419 -13.325 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.265 -3.296 -15.360 1.00 0.00 H new ATOM 0 HE2 HIS A 29 8.232 -2.169 -13.078 1.00 0.00 H new ATOM 439 N VAL A 30 4.653 1.204 -16.259 1.00 0.00 N ATOM 440 CA VAL A 30 3.410 0.623 -15.764 1.00 0.00 C ATOM 441 C VAL A 30 2.262 0.870 -16.736 1.00 0.00 C ATOM 442 O VAL A 30 1.091 0.764 -16.369 1.00 0.00 O ATOM 443 CB VAL A 30 3.034 1.198 -14.385 1.00 0.00 C ATOM 444 CG1 VAL A 30 3.989 0.690 -13.316 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.026 2.718 -14.426 1.00 0.00 C ATOM 0 H VAL A 30 4.734 2.211 -16.117 1.00 0.00 H new ATOM 0 HA VAL A 30 3.577 -0.450 -15.670 1.00 0.00 H new ATOM 0 HB VAL A 30 2.030 0.859 -14.131 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.708 1.107 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.939 -0.398 -13.271 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.006 0.997 -13.561 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.758 3.107 -13.444 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.016 3.080 -14.702 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.297 3.058 -15.162 1.00 0.00 H new ATOM 455 N CYS A 31 2.605 1.199 -17.976 1.00 0.00 N ATOM 456 CA CYS A 31 1.603 1.462 -19.003 1.00 0.00 C ATOM 457 C CYS A 31 0.573 2.473 -18.511 1.00 0.00 C ATOM 458 O CYS A 31 -0.625 2.327 -18.760 1.00 0.00 O ATOM 459 CB CYS A 31 0.906 0.162 -19.408 1.00 0.00 C ATOM 460 SG CYS A 31 1.932 -0.947 -20.401 1.00 0.00 S ATOM 0 H CYS A 31 3.570 1.290 -18.295 1.00 0.00 H new ATOM 0 HA CYS A 31 2.110 1.881 -19.872 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.588 -0.363 -18.507 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.004 0.406 -19.970 1.00 0.00 H new ATOM 0 HG CYS A 31 1.256 -2.019 -20.692 1.00 0.00 H new ATOM 466 N LEU A 32 1.046 3.498 -17.810 1.00 0.00 N ATOM 467 CA LEU A 32 0.166 4.534 -17.280 1.00 0.00 C ATOM 468 C LEU A 32 0.811 5.910 -17.401 1.00 0.00 C ATOM 469 O LEU A 32 2.018 6.025 -17.618 1.00 0.00 O ATOM 470 CB LEU A 32 -0.174 4.244 -15.817 1.00 0.00 C ATOM 471 CG LEU A 32 -1.660 4.092 -15.490 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.868 3.010 -14.443 1.00 0.00 C ATOM 473 CD2 LEU A 32 -2.239 5.416 -15.014 1.00 0.00 C ATOM 0 H LEU A 32 2.034 3.634 -17.595 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.752 4.531 -17.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.338 3.329 -15.521 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.232 5.049 -15.204 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.184 3.795 -16.398 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.931 2.916 -14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.491 2.060 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.331 3.277 -13.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.297 5.289 -14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.711 5.743 -14.118 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.124 6.166 -15.797 1.00 0.00 H new ATOM 485 N SER A 33 0.000 6.953 -17.257 1.00 0.00 N ATOM 486 CA SER A 33 0.492 8.323 -17.351 1.00 0.00 C ATOM 487 C SER A 33 1.237 8.722 -16.081 1.00 0.00 C ATOM 488 O SER A 33 1.074 8.118 -15.020 1.00 0.00 O ATOM 489 CB SER A 33 -0.669 9.288 -17.599 1.00 0.00 C ATOM 490 OG SER A 33 -0.765 9.628 -18.972 1.00 0.00 O ATOM 0 H SER A 33 -1.001 6.876 -17.075 1.00 0.00 H new ATOM 0 HA SER A 33 1.186 8.377 -18.190 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.602 8.832 -17.268 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.528 10.192 -17.006 1.00 0.00 H new ATOM 0 HG SER A 33 -1.515 10.244 -19.105 1.00 0.00 H new ATOM 496 N PRO A 34 2.075 9.763 -16.189 1.00 0.00 N ATOM 497 CA PRO A 34 2.861 10.267 -15.060 1.00 0.00 C ATOM 498 C PRO A 34 1.994 10.949 -14.007 1.00 0.00 C ATOM 499 O PRO A 34 2.254 10.840 -12.809 1.00 0.00 O ATOM 500 CB PRO A 34 3.808 11.279 -15.710 1.00 0.00 C ATOM 501 CG PRO A 34 3.099 11.722 -16.944 1.00 0.00 C ATOM 502 CD PRO A 34 2.318 10.530 -17.423 1.00 0.00 C ATOM 0 HA PRO A 34 3.372 9.464 -14.530 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.007 12.119 -15.045 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.770 10.825 -15.947 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.438 12.563 -16.734 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.807 12.055 -17.703 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.385 10.827 -17.902 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.880 9.948 -18.154 1.00 0.00 H new ATOM 510 N SER A 35 0.962 11.653 -14.463 1.00 0.00 N ATOM 511 CA SER A 35 0.058 12.356 -13.560 1.00 0.00 C ATOM 512 C SER A 35 -0.712 11.370 -12.686 1.00 0.00 C ATOM 513 O SER A 35 -0.846 11.567 -11.479 1.00 0.00 O ATOM 514 CB SER A 35 -0.921 13.221 -14.356 1.00 0.00 C ATOM 515 OG SER A 35 -1.900 12.423 -14.999 1.00 0.00 O ATOM 0 H SER A 35 0.732 11.751 -15.452 1.00 0.00 H new ATOM 0 HA SER A 35 0.656 12.998 -12.913 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.408 13.932 -13.689 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.376 13.803 -15.099 1.00 0.00 H new ATOM 0 HG SER A 35 -2.515 12.999 -15.500 1.00 0.00 H new ATOM 521 N ARG A 36 -1.216 10.308 -13.306 1.00 0.00 N ATOM 522 CA ARG A 36 -1.973 9.291 -12.587 1.00 0.00 C ATOM 523 C ARG A 36 -1.074 8.524 -11.623 1.00 0.00 C ATOM 524 O ARG A 36 -1.466 8.226 -10.493 1.00 0.00 O ATOM 525 CB ARG A 36 -2.629 8.321 -13.571 1.00 0.00 C ATOM 526 CG ARG A 36 -4.036 8.725 -13.979 1.00 0.00 C ATOM 527 CD ARG A 36 -5.039 8.445 -12.871 1.00 0.00 C ATOM 528 NE ARG A 36 -6.223 9.294 -12.977 1.00 0.00 N ATOM 529 CZ ARG A 36 -7.261 9.214 -12.151 1.00 0.00 C ATOM 530 NH1 ARG A 36 -7.260 8.329 -11.164 1.00 0.00 N ATOM 531 NH2 ARG A 36 -8.302 10.021 -12.312 1.00 0.00 N ATOM 0 H ARG A 36 -1.114 10.130 -14.305 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.750 9.793 -12.010 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.008 8.247 -14.464 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.661 7.328 -13.122 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.053 9.786 -14.227 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.325 8.182 -14.879 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.339 7.398 -12.910 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.564 8.605 -11.903 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.255 9.986 -13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.461 7.707 -11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.058 8.270 -10.531 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.306 10.703 -13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.098 9.959 -11.678 1.00 0.00 H new ATOM 545 N LEU A 37 0.134 8.205 -12.075 1.00 0.00 N ATOM 546 CA LEU A 37 1.090 7.471 -11.253 1.00 0.00 C ATOM 547 C LEU A 37 1.532 8.307 -10.056 1.00 0.00 C ATOM 548 O LEU A 37 1.605 7.809 -8.932 1.00 0.00 O ATOM 549 CB LEU A 37 2.308 7.070 -12.087 1.00 0.00 C ATOM 550 CG LEU A 37 3.534 6.603 -11.303 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.241 5.298 -10.580 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.731 6.445 -12.229 1.00 0.00 C ATOM 0 H LEU A 37 0.475 8.443 -13.006 1.00 0.00 H new ATOM 0 HA LEU A 37 0.599 6.571 -10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.011 6.272 -12.767 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.598 7.921 -12.703 1.00 0.00 H new ATOM 0 HG LEU A 37 3.774 7.361 -10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.126 4.982 -10.027 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.413 5.444 -9.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.974 4.531 -11.307 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.595 6.112 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.501 5.708 -12.998 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.956 7.402 -12.700 1.00 0.00 H new ATOM 564 N SER A 38 1.825 9.579 -10.304 1.00 0.00 N ATOM 565 CA SER A 38 2.261 10.484 -9.247 1.00 0.00 C ATOM 566 C SER A 38 1.195 10.606 -8.162 1.00 0.00 C ATOM 567 O SER A 38 1.509 10.698 -6.975 1.00 0.00 O ATOM 568 CB SER A 38 2.576 11.864 -9.826 1.00 0.00 C ATOM 569 OG SER A 38 1.392 12.532 -10.227 1.00 0.00 O ATOM 0 H SER A 38 1.768 10.007 -11.228 1.00 0.00 H new ATOM 0 HA SER A 38 3.165 10.071 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.101 12.463 -9.082 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.245 11.759 -10.680 1.00 0.00 H new ATOM 0 HG SER A 38 0.784 11.892 -10.653 1.00 0.00 H new ATOM 575 N HIS A 39 -0.067 10.605 -8.579 1.00 0.00 N ATOM 576 CA HIS A 39 -1.181 10.715 -7.643 1.00 0.00 C ATOM 577 C HIS A 39 -1.165 9.564 -6.642 1.00 0.00 C ATOM 578 O HIS A 39 -1.259 9.778 -5.433 1.00 0.00 O ATOM 579 CB HIS A 39 -2.510 10.731 -8.399 1.00 0.00 C ATOM 580 CG HIS A 39 -3.701 10.930 -7.513 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.379 12.128 -7.422 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.335 10.075 -6.678 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.378 12.001 -6.567 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.374 10.765 -6.101 1.00 0.00 N ATOM 0 H HIS A 39 -0.344 10.529 -9.558 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.072 11.651 -7.095 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.485 11.526 -9.144 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.622 9.791 -8.939 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.073 9.043 -6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.079 12.776 -6.295 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.035 10.385 -5.423 1.00 0.00 H new ATOM 592 N LEU A 40 -1.047 8.344 -7.153 1.00 0.00 N ATOM 593 CA LEU A 40 -1.020 7.158 -6.304 1.00 0.00 C ATOM 594 C LEU A 40 0.300 7.061 -5.546 1.00 0.00 C ATOM 595 O LEU A 40 0.351 6.542 -4.431 1.00 0.00 O ATOM 596 CB LEU A 40 -1.232 5.898 -7.146 1.00 0.00 C ATOM 597 CG LEU A 40 -2.629 5.279 -7.088 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.687 4.015 -7.932 1.00 0.00 C ATOM 599 CD2 LEU A 40 -3.020 4.980 -5.649 1.00 0.00 C ATOM 0 H LEU A 40 -0.968 8.150 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.829 7.243 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.005 6.137 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.510 5.146 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.341 5.997 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.688 3.588 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.450 4.258 -8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.964 3.292 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.017 4.540 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.305 4.281 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.019 5.905 -5.072 1.00 0.00 H new ATOM 611 N PHE A 41 1.366 7.565 -6.159 1.00 0.00 N ATOM 612 CA PHE A 41 2.687 7.536 -5.541 1.00 0.00 C ATOM 613 C PHE A 41 2.705 8.359 -4.257 1.00 0.00 C ATOM 614 O PHE A 41 3.125 7.877 -3.204 1.00 0.00 O ATOM 615 CB PHE A 41 3.740 8.068 -6.516 1.00 0.00 C ATOM 616 CG PHE A 41 4.973 7.213 -6.592 1.00 0.00 C ATOM 617 CD1 PHE A 41 6.023 7.407 -5.709 1.00 0.00 C ATOM 618 CD2 PHE A 41 5.080 6.214 -7.546 1.00 0.00 C ATOM 619 CE1 PHE A 41 7.158 6.622 -5.778 1.00 0.00 C ATOM 620 CE2 PHE A 41 6.213 5.425 -7.619 1.00 0.00 C ATOM 621 CZ PHE A 41 7.253 5.629 -6.733 1.00 0.00 C ATOM 0 H PHE A 41 1.341 7.998 -7.082 1.00 0.00 H new ATOM 0 HA PHE A 41 2.922 6.501 -5.291 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.298 8.144 -7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.025 9.076 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.954 8.180 -4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.269 6.050 -8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.970 6.785 -5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.285 4.650 -8.368 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.139 5.013 -6.787 1.00 0.00 H new ATOM 631 N ARG A 42 2.246 9.603 -4.351 1.00 0.00 N ATOM 632 CA ARG A 42 2.211 10.494 -3.198 1.00 0.00 C ATOM 633 C ARG A 42 1.150 10.045 -2.196 1.00 0.00 C ATOM 634 O ARG A 42 1.257 10.318 -1.001 1.00 0.00 O ATOM 635 CB ARG A 42 1.930 11.930 -3.644 1.00 0.00 C ATOM 636 CG ARG A 42 2.322 12.976 -2.613 1.00 0.00 C ATOM 637 CD ARG A 42 2.582 14.326 -3.261 1.00 0.00 C ATOM 638 NE ARG A 42 2.695 15.395 -2.273 1.00 0.00 N ATOM 639 CZ ARG A 42 3.133 16.617 -2.557 1.00 0.00 C ATOM 640 NH1 ARG A 42 3.497 16.922 -3.795 1.00 0.00 N ATOM 641 NH2 ARG A 42 3.207 17.535 -1.603 1.00 0.00 N ATOM 0 H ARG A 42 1.893 10.016 -5.214 1.00 0.00 H new ATOM 0 HA ARG A 42 3.186 10.456 -2.712 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.469 12.126 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.868 12.031 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.528 13.074 -1.872 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.215 12.648 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.500 14.276 -3.847 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.773 14.557 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 42 2.423 15.193 -1.311 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.441 16.218 -4.531 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.833 17.860 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.928 17.304 -0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.543 18.473 -1.822 1.00 0.00 H new ATOM 655 N GLN A 43 0.129 9.355 -2.693 1.00 0.00 N ATOM 656 CA GLN A 43 -0.951 8.869 -1.842 1.00 0.00 C ATOM 657 C GLN A 43 -0.518 7.628 -1.069 1.00 0.00 C ATOM 658 O GLN A 43 -0.808 7.494 0.120 1.00 0.00 O ATOM 659 CB GLN A 43 -2.189 8.555 -2.683 1.00 0.00 C ATOM 660 CG GLN A 43 -3.448 8.344 -1.856 1.00 0.00 C ATOM 661 CD GLN A 43 -3.773 6.877 -1.653 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.470 6.302 -0.607 1.00 0.00 O ATOM 663 NE2 GLN A 43 -4.393 6.264 -2.654 1.00 0.00 N ATOM 0 H GLN A 43 0.027 9.120 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.197 9.653 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.358 9.371 -3.385 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.999 7.660 -3.275 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.325 8.823 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.288 8.834 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.625 6.780 -3.503 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.638 5.277 -2.574 1.00 0.00 H new ATOM 672 N GLN A 44 0.176 6.724 -1.752 1.00 0.00 N ATOM 673 CA GLN A 44 0.647 5.493 -1.128 1.00 0.00 C ATOM 674 C GLN A 44 1.921 5.741 -0.327 1.00 0.00 C ATOM 675 O GLN A 44 2.108 5.178 0.752 1.00 0.00 O ATOM 676 CB GLN A 44 0.900 4.422 -2.191 1.00 0.00 C ATOM 677 CG GLN A 44 -0.326 3.583 -2.514 1.00 0.00 C ATOM 678 CD GLN A 44 -1.617 4.369 -2.398 1.00 0.00 C ATOM 679 OE1 GLN A 44 -1.800 5.387 -3.067 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.522 3.901 -1.546 1.00 0.00 N ATOM 0 H GLN A 44 0.425 6.820 -2.737 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.127 5.143 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.251 4.904 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.700 3.765 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.235 3.188 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.364 2.727 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.329 3.054 -1.012 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.410 4.389 -1.426 1.00 0.00 H new ATOM 689 N LEU A 45 2.794 6.587 -0.862 1.00 0.00 N ATOM 690 CA LEU A 45 4.052 6.911 -0.196 1.00 0.00 C ATOM 691 C LEU A 45 3.876 8.089 0.756 1.00 0.00 C ATOM 692 O LEU A 45 4.710 8.324 1.630 1.00 0.00 O ATOM 693 CB LEU A 45 5.131 7.233 -1.232 1.00 0.00 C ATOM 694 CG LEU A 45 5.417 6.143 -2.264 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.875 6.184 -2.694 1.00 0.00 C ATOM 696 CD2 LEU A 45 5.063 4.772 -1.706 1.00 0.00 C ATOM 0 H LEU A 45 2.655 7.061 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 45 4.362 6.042 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.838 8.139 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.058 7.458 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 45 4.795 6.328 -3.140 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.060 5.401 -3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.097 7.156 -3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.515 6.025 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.273 4.009 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.658 4.578 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.004 4.746 -1.449 1.00 0.00 H new ATOM 708 N GLY A 46 2.784 8.828 0.581 1.00 0.00 N ATOM 709 CA GLY A 46 2.518 9.972 1.434 1.00 0.00 C ATOM 710 C GLY A 46 3.523 11.089 1.236 1.00 0.00 C ATOM 711 O GLY A 46 3.539 12.059 1.993 1.00 0.00 O ATOM 0 H GLY A 46 2.079 8.655 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.516 10.349 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.533 9.655 2.477 1.00 0.00 H new ATOM 715 N ILE A 47 4.364 10.952 0.216 1.00 0.00 N ATOM 716 CA ILE A 47 5.377 11.957 -0.078 1.00 0.00 C ATOM 717 C ILE A 47 5.692 12.001 -1.570 1.00 0.00 C ATOM 718 O ILE A 47 5.241 11.148 -2.335 1.00 0.00 O ATOM 719 CB ILE A 47 6.679 11.691 0.701 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.326 10.388 0.227 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.399 11.636 2.196 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.627 10.069 0.928 1.00 0.00 C ATOM 0 H ILE A 47 4.363 10.155 -0.420 1.00 0.00 H new ATOM 0 HA ILE A 47 4.966 12.917 0.234 1.00 0.00 H new ATOM 0 HB ILE A 47 7.373 12.509 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.627 9.567 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.507 10.451 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.328 11.447 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.978 12.587 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.690 10.834 2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.028 9.132 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.343 10.871 0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.449 9.973 1.999 1.00 0.00 H new ATOM 734 N SER A 48 6.469 13.000 -1.976 1.00 0.00 N ATOM 735 CA SER A 48 6.842 13.156 -3.377 1.00 0.00 C ATOM 736 C SER A 48 7.946 12.174 -3.758 1.00 0.00 C ATOM 737 O SER A 48 8.736 11.752 -2.914 1.00 0.00 O ATOM 738 CB SER A 48 7.304 14.590 -3.647 1.00 0.00 C ATOM 739 OG SER A 48 7.173 14.918 -5.019 1.00 0.00 O ATOM 0 H SER A 48 6.852 13.713 -1.355 1.00 0.00 H new ATOM 0 HA SER A 48 5.964 12.943 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.716 15.284 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.344 14.704 -3.340 1.00 0.00 H new ATOM 0 HG SER A 48 7.473 15.839 -5.165 1.00 0.00 H new ATOM 745 N VAL A 49 7.992 11.813 -5.037 1.00 0.00 N ATOM 746 CA VAL A 49 8.999 10.882 -5.532 1.00 0.00 C ATOM 747 C VAL A 49 10.405 11.351 -5.176 1.00 0.00 C ATOM 748 O VAL A 49 11.265 10.550 -4.808 1.00 0.00 O ATOM 749 CB VAL A 49 8.899 10.707 -7.059 1.00 0.00 C ATOM 750 CG1 VAL A 49 7.628 9.957 -7.429 1.00 0.00 C ATOM 751 CG2 VAL A 49 8.951 12.059 -7.754 1.00 0.00 C ATOM 0 H VAL A 49 7.344 12.151 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 49 8.807 9.923 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 49 9.751 10.117 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.575 9.843 -8.512 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.637 8.973 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.760 10.517 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.879 11.917 -8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.119 12.676 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.892 12.555 -7.515 1.00 0.00 H new ATOM 761 N LEU A 50 10.633 12.655 -5.288 1.00 0.00 N ATOM 762 CA LEU A 50 11.935 13.234 -4.977 1.00 0.00 C ATOM 763 C LEU A 50 12.296 13.007 -3.513 1.00 0.00 C ATOM 764 O LEU A 50 13.460 12.787 -3.176 1.00 0.00 O ATOM 765 CB LEU A 50 11.938 14.731 -5.290 1.00 0.00 C ATOM 766 CG LEU A 50 11.417 15.129 -6.671 1.00 0.00 C ATOM 767 CD1 LEU A 50 11.469 16.639 -6.846 1.00 0.00 C ATOM 768 CD2 LEU A 50 12.218 14.436 -7.764 1.00 0.00 C ATOM 0 H LEU A 50 9.933 13.331 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 50 12.683 12.739 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.337 15.241 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.958 15.101 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 50 10.378 14.810 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.094 16.904 -7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.851 17.115 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 50 12.499 16.982 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.833 14.731 -8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.266 14.724 -7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.129 13.356 -7.651 1.00 0.00 H new ATOM 780 N SER A 51 11.290 13.061 -2.645 1.00 0.00 N ATOM 781 CA SER A 51 11.502 12.864 -1.216 1.00 0.00 C ATOM 782 C SER A 51 11.784 11.397 -0.906 1.00 0.00 C ATOM 783 O SER A 51 12.728 11.074 -0.186 1.00 0.00 O ATOM 784 CB SER A 51 10.279 13.337 -0.428 1.00 0.00 C ATOM 785 OG SER A 51 9.889 14.640 -0.826 1.00 0.00 O ATOM 0 H SER A 51 10.320 13.240 -2.907 1.00 0.00 H new ATOM 0 HA SER A 51 12.369 13.454 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.452 12.643 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 51 10.505 13.331 0.638 1.00 0.00 H new ATOM 0 HG SER A 51 9.104 14.919 -0.309 1.00 0.00 H new ATOM 791 N TRP A 52 10.958 10.514 -1.456 1.00 0.00 N ATOM 792 CA TRP A 52 11.118 9.080 -1.238 1.00 0.00 C ATOM 793 C TRP A 52 12.479 8.603 -1.731 1.00 0.00 C ATOM 794 O TRP A 52 13.184 7.878 -1.029 1.00 0.00 O ATOM 795 CB TRP A 52 10.005 8.309 -1.950 1.00 0.00 C ATOM 796 CG TRP A 52 10.147 6.821 -1.835 1.00 0.00 C ATOM 797 CD1 TRP A 52 9.856 6.052 -0.745 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.616 5.924 -2.848 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.117 4.731 -1.019 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.583 4.626 -2.302 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.060 6.091 -4.162 1.00 0.00 C ATOM 802 CZ2 TRP A 52 10.978 3.504 -3.027 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.451 4.977 -4.880 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.407 3.697 -4.311 1.00 0.00 C ATOM 0 H TRP A 52 10.172 10.765 -2.055 1.00 0.00 H new ATOM 0 HA TRP A 52 11.054 8.891 -0.166 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.042 8.608 -1.535 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.998 8.586 -3.004 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.477 6.427 0.194 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.985 3.954 -0.371 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.097 7.074 -4.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.947 2.517 -2.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.796 5.095 -5.897 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.718 2.846 -4.898 1.00 0.00 H new ATOM 815 N ARG A 53 12.844 9.015 -2.941 1.00 0.00 N ATOM 816 CA ARG A 53 14.122 8.628 -3.527 1.00 0.00 C ATOM 817 C ARG A 53 15.282 9.068 -2.639 1.00 0.00 C ATOM 818 O ARG A 53 16.196 8.291 -2.367 1.00 0.00 O ATOM 819 CB ARG A 53 14.273 9.239 -4.921 1.00 0.00 C ATOM 820 CG ARG A 53 15.286 8.518 -5.795 1.00 0.00 C ATOM 821 CD ARG A 53 15.427 9.188 -7.153 1.00 0.00 C ATOM 822 NE ARG A 53 15.841 10.583 -7.035 1.00 0.00 N ATOM 823 CZ ARG A 53 16.237 11.322 -8.065 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.271 10.802 -9.284 1.00 0.00 N ATOM 825 NH2 ARG A 53 16.599 12.585 -7.878 1.00 0.00 N ATOM 0 H ARG A 53 12.273 9.617 -3.534 1.00 0.00 H new ATOM 0 HA ARG A 53 14.142 7.541 -3.610 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.304 9.230 -5.420 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.570 10.283 -4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.254 8.501 -5.294 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.979 7.481 -5.930 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.156 8.643 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.476 9.136 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 53 15.825 11.014 -6.111 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.993 9.832 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.576 11.372 -10.073 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.573 12.990 -6.942 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.903 13.151 -8.670 1.00 0.00 H new ATOM 839 N GLU A 54 15.238 10.319 -2.192 1.00 0.00 N ATOM 840 CA GLU A 54 16.287 10.862 -1.337 1.00 0.00 C ATOM 841 C GLU A 54 16.305 10.156 0.016 1.00 0.00 C ATOM 842 O GLU A 54 17.366 9.795 0.526 1.00 0.00 O ATOM 843 CB GLU A 54 16.086 12.365 -1.137 1.00 0.00 C ATOM 844 CG GLU A 54 17.354 13.101 -0.736 1.00 0.00 C ATOM 845 CD GLU A 54 17.176 14.607 -0.725 1.00 0.00 C ATOM 846 OE1 GLU A 54 16.259 15.091 -0.030 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.954 15.301 -1.413 1.00 0.00 O ATOM 0 H GLU A 54 14.488 10.975 -2.408 1.00 0.00 H new ATOM 0 HA GLU A 54 17.245 10.693 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.702 12.798 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.327 12.523 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.665 12.768 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.156 12.839 -1.426 1.00 0.00 H new ATOM 854 N ASP A 55 15.123 9.963 0.591 1.00 0.00 N ATOM 855 CA ASP A 55 15.002 9.300 1.885 1.00 0.00 C ATOM 856 C ASP A 55 15.683 7.935 1.862 1.00 0.00 C ATOM 857 O ASP A 55 16.416 7.581 2.785 1.00 0.00 O ATOM 858 CB ASP A 55 13.529 9.142 2.265 1.00 0.00 C ATOM 859 CG ASP A 55 13.333 8.950 3.756 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.719 7.880 4.272 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.792 9.869 4.407 1.00 0.00 O ATOM 0 H ASP A 55 14.236 10.256 0.182 1.00 0.00 H new ATOM 0 HA ASP A 55 15.497 9.921 2.631 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.976 10.023 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.109 8.288 1.733 1.00 0.00 H new ATOM 866 N GLN A 56 15.435 7.173 0.801 1.00 0.00 N ATOM 867 CA GLN A 56 16.023 5.846 0.660 1.00 0.00 C ATOM 868 C GLN A 56 17.525 5.940 0.413 1.00 0.00 C ATOM 869 O GLN A 56 18.294 5.095 0.871 1.00 0.00 O ATOM 870 CB GLN A 56 15.352 5.087 -0.486 1.00 0.00 C ATOM 871 CG GLN A 56 14.247 4.148 -0.029 1.00 0.00 C ATOM 872 CD GLN A 56 13.355 4.768 1.028 1.00 0.00 C ATOM 873 OE1 GLN A 56 13.373 4.358 2.190 1.00 0.00 O ATOM 874 NE2 GLN A 56 12.569 5.761 0.632 1.00 0.00 N ATOM 0 H GLN A 56 14.832 7.452 0.027 1.00 0.00 H new ATOM 0 HA GLN A 56 15.860 5.303 1.591 1.00 0.00 H new ATOM 0 HB2 GLN A 56 14.938 5.806 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.108 4.512 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.641 3.861 -0.888 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.692 3.235 0.366 1.00 0.00 H new ATOM 0 HE21 GLN A 56 12.586 6.069 -0.340 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.947 6.217 1.300 1.00 0.00 H new ATOM 883 N ARG A 57 17.936 6.974 -0.315 1.00 0.00 N ATOM 884 CA ARG A 57 19.346 7.177 -0.625 1.00 0.00 C ATOM 885 C ARG A 57 20.169 7.316 0.653 1.00 0.00 C ATOM 886 O ARG A 57 21.238 6.719 0.783 1.00 0.00 O ATOM 887 CB ARG A 57 19.525 8.421 -1.497 1.00 0.00 C ATOM 888 CG ARG A 57 19.288 8.167 -2.977 1.00 0.00 C ATOM 889 CD ARG A 57 18.976 9.456 -3.721 1.00 0.00 C ATOM 890 NE ARG A 57 19.205 9.328 -5.157 1.00 0.00 N ATOM 891 CZ ARG A 57 19.284 10.364 -5.985 1.00 0.00 C ATOM 892 NH1 ARG A 57 19.153 11.599 -5.520 1.00 0.00 N ATOM 893 NH2 ARG A 57 19.494 10.167 -7.280 1.00 0.00 N ATOM 0 H ARG A 57 17.313 7.683 -0.701 1.00 0.00 H new ATOM 0 HA ARG A 57 19.701 6.304 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.838 9.196 -1.155 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.535 8.808 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.171 7.699 -3.413 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.462 7.466 -3.099 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.937 9.735 -3.543 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.595 10.262 -3.326 1.00 0.00 H new ATOM 0 HE ARG A 57 19.310 8.391 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 57 18.991 11.755 -4.525 1.00 0.00 H new ATOM 0 HH12 ARG A 57 19.214 12.393 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 57 19.595 9.219 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 57 19.554 10.964 -7.914 1.00 0.00 H new ATOM 907 N ILE A 58 19.664 8.109 1.592 1.00 0.00 N ATOM 908 CA ILE A 58 20.351 8.326 2.859 1.00 0.00 C ATOM 909 C ILE A 58 20.552 7.012 3.607 1.00 0.00 C ATOM 910 O ILE A 58 21.637 6.738 4.121 1.00 0.00 O ATOM 911 CB ILE A 58 19.575 9.304 3.761 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.393 10.648 3.053 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.298 9.490 5.086 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.695 11.359 2.761 1.00 0.00 C ATOM 0 H ILE A 58 18.781 8.612 1.499 1.00 0.00 H new ATOM 0 HA ILE A 58 21.323 8.759 2.621 1.00 0.00 H new ATOM 0 HB ILE A 58 18.589 8.885 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.859 10.487 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.767 11.293 3.670 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.737 10.184 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.381 8.529 5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.295 9.891 4.903 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.489 12.304 2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.222 11.552 3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.315 10.734 2.118 1.00 0.00 H new ATOM 926 N SER A 59 19.500 6.202 3.663 1.00 0.00 N ATOM 927 CA SER A 59 19.560 4.917 4.350 1.00 0.00 C ATOM 928 C SER A 59 20.431 3.929 3.580 1.00 0.00 C ATOM 929 O SER A 59 21.076 3.064 4.170 1.00 0.00 O ATOM 930 CB SER A 59 18.153 4.344 4.527 1.00 0.00 C ATOM 931 OG SER A 59 18.201 2.966 4.857 1.00 0.00 O ATOM 0 H SER A 59 18.596 6.413 3.241 1.00 0.00 H new ATOM 0 HA SER A 59 20.005 5.078 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.630 4.891 5.312 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.583 4.482 3.608 1.00 0.00 H new ATOM 0 HG SER A 59 17.289 2.624 4.966 1.00 0.00 H new ATOM 937 N GLN A 60 20.443 4.067 2.258 1.00 0.00 N ATOM 938 CA GLN A 60 21.233 3.186 1.406 1.00 0.00 C ATOM 939 C GLN A 60 22.725 3.441 1.595 1.00 0.00 C ATOM 940 O GLN A 60 23.528 2.508 1.604 1.00 0.00 O ATOM 941 CB GLN A 60 20.852 3.384 -0.062 1.00 0.00 C ATOM 942 CG GLN A 60 21.770 2.659 -1.033 1.00 0.00 C ATOM 943 CD GLN A 60 21.856 1.171 -0.754 1.00 0.00 C ATOM 944 OE1 GLN A 60 20.855 0.458 -0.815 1.00 0.00 O ATOM 945 NE2 GLN A 60 23.056 0.695 -0.444 1.00 0.00 N ATOM 0 H GLN A 60 19.915 4.780 1.754 1.00 0.00 H new ATOM 0 HA GLN A 60 21.019 2.157 1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.830 3.037 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 60 20.864 4.450 -0.291 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.411 2.814 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.768 3.094 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.859 1.323 -0.405 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.175 -0.298 -0.245 1.00 0.00 H new ATOM 954 N ALA A 61 23.089 4.710 1.745 1.00 0.00 N ATOM 955 CA ALA A 61 24.484 5.088 1.936 1.00 0.00 C ATOM 956 C ALA A 61 25.003 4.606 3.286 1.00 0.00 C ATOM 957 O ALA A 61 26.162 4.210 3.412 1.00 0.00 O ATOM 958 CB ALA A 61 24.644 6.596 1.814 1.00 0.00 C ATOM 0 H ALA A 61 22.437 5.494 1.738 1.00 0.00 H new ATOM 0 HA ALA A 61 25.075 4.607 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.691 6.864 1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.321 6.917 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 61 24.035 7.089 2.572 1.00 0.00 H new ATOM 964 N LYS A 62 24.139 4.645 4.295 1.00 0.00 N ATOM 965 CA LYS A 62 24.510 4.212 5.637 1.00 0.00 C ATOM 966 C LYS A 62 24.659 2.695 5.698 1.00 0.00 C ATOM 967 O LYS A 62 25.479 2.172 6.454 1.00 0.00 O ATOM 968 CB LYS A 62 23.461 4.673 6.652 1.00 0.00 C ATOM 969 CG LYS A 62 23.219 6.173 6.637 1.00 0.00 C ATOM 970 CD LYS A 62 21.807 6.514 7.083 1.00 0.00 C ATOM 971 CE LYS A 62 21.748 6.805 8.575 1.00 0.00 C ATOM 972 NZ LYS A 62 21.481 5.575 9.370 1.00 0.00 N ATOM 0 H LYS A 62 23.177 4.972 4.209 1.00 0.00 H new ATOM 0 HA LYS A 62 25.470 4.664 5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 62 22.521 4.160 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 62 23.778 4.374 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.938 6.665 7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 62 23.388 6.560 5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.448 7.381 6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.140 5.685 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.691 7.247 8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.968 7.540 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 21.448 5.816 10.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.569 5.166 9.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 22.239 4.883 9.203 1.00 0.00 H new ATOM 986 N LEU A 63 23.863 1.995 4.898 1.00 0.00 N ATOM 987 CA LEU A 63 23.907 0.537 4.860 1.00 0.00 C ATOM 988 C LEU A 63 25.306 0.044 4.505 1.00 0.00 C ATOM 989 O LEU A 63 25.872 -0.804 5.197 1.00 0.00 O ATOM 990 CB LEU A 63 22.894 0.003 3.847 1.00 0.00 C ATOM 991 CG LEU A 63 22.327 -1.389 4.134 1.00 0.00 C ATOM 992 CD1 LEU A 63 23.435 -2.430 4.113 1.00 0.00 C ATOM 993 CD2 LEU A 63 21.604 -1.404 5.472 1.00 0.00 C ATOM 0 H LEU A 63 23.179 2.413 4.267 1.00 0.00 H new ATOM 0 HA LEU A 63 23.651 0.164 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 63 22.064 0.707 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 63 23.367 -0.015 2.865 1.00 0.00 H new ATOM 0 HG LEU A 63 21.608 -1.637 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 63 23.014 -3.414 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 63 23.909 -2.437 3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 63 24.177 -2.187 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 63 21.207 -2.402 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.301 -1.135 6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 63 20.785 -0.686 5.451 1.00 0.00 H new ATOM 1005 N LEU A 64 25.861 0.582 3.424 1.00 0.00 N ATOM 1006 CA LEU A 64 27.196 0.199 2.978 1.00 0.00 C ATOM 1007 C LEU A 64 28.261 0.724 3.934 1.00 0.00 C ATOM 1008 O LEU A 64 29.267 0.059 4.187 1.00 0.00 O ATOM 1009 CB LEU A 64 27.455 0.729 1.567 1.00 0.00 C ATOM 1010 CG LEU A 64 27.876 2.196 1.467 1.00 0.00 C ATOM 1011 CD1 LEU A 64 29.389 2.324 1.558 1.00 0.00 C ATOM 1012 CD2 LEU A 64 27.363 2.812 0.174 1.00 0.00 C ATOM 0 H LEU A 64 25.407 1.285 2.840 1.00 0.00 H new ATOM 0 HA LEU A 64 27.250 -0.890 2.966 1.00 0.00 H new ATOM 0 HB2 LEU A 64 28.231 0.117 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 64 26.549 0.591 0.977 1.00 0.00 H new ATOM 0 HG LEU A 64 27.435 2.738 2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 64 29.670 3.375 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 64 29.731 1.922 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 64 29.851 1.767 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 64 27.672 3.856 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.774 2.268 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 64 26.275 2.754 0.150 1.00 0.00 H new ATOM 1024 N LEU A 65 28.034 1.920 4.466 1.00 0.00 N ATOM 1025 CA LEU A 65 28.973 2.534 5.398 1.00 0.00 C ATOM 1026 C LEU A 65 29.085 1.714 6.679 1.00 0.00 C ATOM 1027 O LEU A 65 30.125 1.712 7.338 1.00 0.00 O ATOM 1028 CB LEU A 65 28.534 3.962 5.729 1.00 0.00 C ATOM 1029 CG LEU A 65 29.642 5.014 5.764 1.00 0.00 C ATOM 1030 CD1 LEU A 65 29.112 6.364 5.304 1.00 0.00 C ATOM 1031 CD2 LEU A 65 30.234 5.120 7.162 1.00 0.00 C ATOM 0 H LEU A 65 27.208 2.484 4.268 1.00 0.00 H new ATOM 0 HA LEU A 65 29.953 2.563 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.790 4.271 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.039 3.953 6.700 1.00 0.00 H new ATOM 0 HG LEU A 65 30.432 4.704 5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 65 29.915 7.100 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A 65 28.737 6.279 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.303 6.681 5.962 1.00 0.00 H new ATOM 0 HD21 LEU A 65 31.021 5.874 7.168 1.00 0.00 H new ATOM 0 HD22 LEU A 65 29.453 5.405 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.652 4.157 7.454 1.00 0.00 H new ATOM 1043 N SER A 66 28.008 1.017 7.024 1.00 0.00 N ATOM 1044 CA SER A 66 27.984 0.193 8.227 1.00 0.00 C ATOM 1045 C SER A 66 28.910 -1.010 8.080 1.00 0.00 C ATOM 1046 O SER A 66 29.291 -1.641 9.067 1.00 0.00 O ATOM 1047 CB SER A 66 26.558 -0.279 8.520 1.00 0.00 C ATOM 1048 OG SER A 66 26.536 -1.196 9.600 1.00 0.00 O ATOM 0 H SER A 66 27.140 1.006 6.488 1.00 0.00 H new ATOM 0 HA SER A 66 28.336 0.801 9.061 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.929 0.579 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 66 26.137 -0.749 7.631 1.00 0.00 H new ATOM 0 HG SER A 66 25.614 -1.481 9.768 1.00 0.00 H new ATOM 1054 N THR A 67 29.269 -1.325 6.839 1.00 0.00 N ATOM 1055 CA THR A 67 30.149 -2.453 6.561 1.00 0.00 C ATOM 1056 C THR A 67 31.392 -2.006 5.800 1.00 0.00 C ATOM 1057 O THR A 67 32.235 -2.824 5.432 1.00 0.00 O ATOM 1058 CB THR A 67 29.426 -3.541 5.746 1.00 0.00 C ATOM 1059 OG1 THR A 67 30.318 -4.631 5.484 1.00 0.00 O ATOM 1060 CG2 THR A 67 28.906 -2.978 4.432 1.00 0.00 C ATOM 0 H THR A 67 28.964 -0.814 6.011 1.00 0.00 H new ATOM 0 HA THR A 67 30.446 -2.868 7.524 1.00 0.00 H new ATOM 0 HB THR A 67 28.578 -3.898 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 67 31.244 -4.315 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 67 28.399 -3.765 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 67 28.205 -2.168 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 67 29.741 -2.596 3.844 1.00 0.00 H new ATOM 1068 N THR A 68 31.500 -0.701 5.568 1.00 0.00 N ATOM 1069 CA THR A 68 32.641 -0.145 4.851 1.00 0.00 C ATOM 1070 C THR A 68 33.215 1.063 5.582 1.00 0.00 C ATOM 1071 O THR A 68 32.558 1.649 6.444 1.00 0.00 O ATOM 1072 CB THR A 68 32.254 0.273 3.419 1.00 0.00 C ATOM 1073 OG1 THR A 68 31.370 1.398 3.459 1.00 0.00 O ATOM 1074 CG2 THR A 68 31.586 -0.878 2.682 1.00 0.00 C ATOM 0 H THR A 68 30.811 -0.010 5.866 1.00 0.00 H new ATOM 0 HA THR A 68 33.396 -0.929 4.802 1.00 0.00 H new ATOM 0 HB THR A 68 33.164 0.546 2.885 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.623 1.206 4.063 1.00 0.00 H new ATOM 0 HG21 THR A 68 31.322 -0.560 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 68 32.273 -1.723 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 68 30.684 -1.177 3.216 1.00 0.00 H new ATOM 1082 N ARG A 69 34.443 1.431 5.234 1.00 0.00 N ATOM 1083 CA ARG A 69 35.106 2.569 5.859 1.00 0.00 C ATOM 1084 C ARG A 69 35.514 3.603 4.813 1.00 0.00 C ATOM 1085 O ARG A 69 36.364 4.455 5.067 1.00 0.00 O ATOM 1086 CB ARG A 69 36.337 2.105 6.639 1.00 0.00 C ATOM 1087 CG ARG A 69 37.413 1.481 5.765 1.00 0.00 C ATOM 1088 CD ARG A 69 37.218 -0.020 5.628 1.00 0.00 C ATOM 1089 NE ARG A 69 37.670 -0.515 4.330 1.00 0.00 N ATOM 1090 CZ ARG A 69 38.949 -0.685 4.013 1.00 0.00 C ATOM 1091 NH1 ARG A 69 39.897 -0.402 4.896 1.00 0.00 N ATOM 1092 NH2 ARG A 69 39.282 -1.139 2.812 1.00 0.00 N ATOM 0 H ARG A 69 34.999 0.958 4.522 1.00 0.00 H new ATOM 0 HA ARG A 69 34.401 3.033 6.549 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.762 2.956 7.171 1.00 0.00 H new ATOM 0 HB3 ARG A 69 36.027 1.381 7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 69 37.395 1.943 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 69 38.394 1.684 6.194 1.00 0.00 H new ATOM 0 HD2 ARG A 69 37.765 -0.530 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 69 36.164 -0.262 5.761 1.00 0.00 H new ATOM 0 HE ARG A 69 36.965 -0.743 3.629 1.00 0.00 H new ATOM 0 HH11 ARG A 69 39.645 -0.053 5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 69 40.878 -0.533 4.650 1.00 0.00 H new ATOM 0 HH21 ARG A 69 38.556 -1.358 2.130 1.00 0.00 H new ATOM 0 HH22 ARG A 69 40.264 -1.269 2.570 1.00 0.00 H new ATOM 1106 N MET A 70 34.901 3.519 3.636 1.00 0.00 N ATOM 1107 CA MET A 70 35.200 4.447 2.552 1.00 0.00 C ATOM 1108 C MET A 70 34.888 5.883 2.963 1.00 0.00 C ATOM 1109 O MET A 70 34.091 6.135 3.867 1.00 0.00 O ATOM 1110 CB MET A 70 34.402 4.078 1.301 1.00 0.00 C ATOM 1111 CG MET A 70 34.973 2.889 0.544 1.00 0.00 C ATOM 1112 SD MET A 70 33.960 2.415 -0.870 1.00 0.00 S ATOM 1113 CE MET A 70 32.490 1.807 -0.046 1.00 0.00 C ATOM 0 H MET A 70 34.195 2.818 3.409 1.00 0.00 H new ATOM 0 HA MET A 70 36.265 4.375 2.329 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.374 3.856 1.588 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.368 4.940 0.635 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.979 3.131 0.201 1.00 0.00 H new ATOM 0 HG3 MET A 70 35.063 2.041 1.222 1.00 0.00 H new ATOM 0 HE1 MET A 70 32.259 0.805 -0.406 1.00 0.00 H new ATOM 0 HE2 MET A 70 32.663 1.775 1.030 1.00 0.00 H new ATOM 0 HE3 MET A 70 31.652 2.471 -0.259 1.00 0.00 H new ATOM 1123 N PRO A 71 35.530 6.846 2.286 1.00 0.00 N ATOM 1124 CA PRO A 71 35.336 8.273 2.564 1.00 0.00 C ATOM 1125 C PRO A 71 33.954 8.762 2.145 1.00 0.00 C ATOM 1126 O PRO A 71 33.235 8.074 1.419 1.00 0.00 O ATOM 1127 CB PRO A 71 36.421 8.949 1.723 1.00 0.00 C ATOM 1128 CG PRO A 71 36.694 7.990 0.615 1.00 0.00 C ATOM 1129 CD PRO A 71 36.494 6.618 1.197 1.00 0.00 C ATOM 0 HA PRO A 71 35.404 8.494 3.629 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.082 9.911 1.339 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.318 9.139 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.019 8.160 -0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.709 8.109 0.237 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.105 5.920 0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.429 6.199 1.569 1.00 0.00 H new ATOM 1137 N ILE A 72 33.588 9.954 2.605 1.00 0.00 N ATOM 1138 CA ILE A 72 32.293 10.535 2.276 1.00 0.00 C ATOM 1139 C ILE A 72 32.161 10.770 0.775 1.00 0.00 C ATOM 1140 O ILE A 72 31.066 10.701 0.220 1.00 0.00 O ATOM 1141 CB ILE A 72 32.070 11.868 3.015 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.164 11.659 4.528 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.720 12.462 2.640 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.179 10.642 5.060 1.00 0.00 C ATOM 0 H ILE A 72 34.171 10.536 3.207 1.00 0.00 H new ATOM 0 HA ILE A 72 31.536 9.820 2.597 1.00 0.00 H new ATOM 0 HB ILE A 72 32.849 12.568 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 72 33.175 11.340 4.780 1.00 0.00 H new ATOM 0 HG13 ILE A 72 31.996 12.612 5.029 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.577 13.404 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.688 12.642 1.565 1.00 0.00 H new ATOM 0 HG23 ILE A 72 29.927 11.766 2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.303 10.545 6.139 1.00 0.00 H new ATOM 0 HD12 ILE A 72 30.163 10.969 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.360 9.677 4.586 1.00 0.00 H new ATOM 1156 N ALA A 73 33.287 11.047 0.124 1.00 0.00 N ATOM 1157 CA ALA A 73 33.298 11.289 -1.313 1.00 0.00 C ATOM 1158 C ALA A 73 32.887 10.039 -2.083 1.00 0.00 C ATOM 1159 O ALA A 73 32.056 10.100 -2.990 1.00 0.00 O ATOM 1160 CB ALA A 73 34.676 11.757 -1.758 1.00 0.00 C ATOM 0 H ALA A 73 34.202 11.109 0.569 1.00 0.00 H new ATOM 0 HA ALA A 73 32.572 12.073 -1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 73 34.670 11.934 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 73 34.931 12.681 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.415 10.991 -1.520 1.00 0.00 H new ATOM 1166 N THR A 74 33.475 8.904 -1.717 1.00 0.00 N ATOM 1167 CA THR A 74 33.172 7.639 -2.375 1.00 0.00 C ATOM 1168 C THR A 74 31.744 7.195 -2.082 1.00 0.00 C ATOM 1169 O THR A 74 30.987 6.860 -2.993 1.00 0.00 O ATOM 1170 CB THR A 74 34.144 6.529 -1.933 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.497 6.966 -2.101 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.913 5.257 -2.735 1.00 0.00 C ATOM 0 H THR A 74 34.164 8.835 -0.968 1.00 0.00 H new ATOM 0 HA THR A 74 33.285 7.805 -3.446 1.00 0.00 H new ATOM 0 HB THR A 74 33.961 6.314 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.108 6.255 -1.816 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.611 4.487 -2.405 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.891 4.910 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.071 5.461 -3.794 1.00 0.00 H new ATOM 1180 N VAL A 75 31.380 7.196 -0.803 1.00 0.00 N ATOM 1181 CA VAL A 75 30.040 6.794 -0.389 1.00 0.00 C ATOM 1182 C VAL A 75 28.977 7.655 -1.062 1.00 0.00 C ATOM 1183 O VAL A 75 27.935 7.155 -1.484 1.00 0.00 O ATOM 1184 CB VAL A 75 29.872 6.891 1.139 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.466 6.481 1.548 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.913 6.033 1.844 1.00 0.00 C ATOM 0 H VAL A 75 31.994 7.471 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 75 29.911 5.756 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 75 30.024 7.928 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.366 6.556 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.741 7.140 1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.282 5.453 1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.780 6.113 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.794 4.993 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.911 6.378 1.575 1.00 0.00 H new ATOM 1196 N GLY A 76 29.247 8.953 -1.158 1.00 0.00 N ATOM 1197 CA GLY A 76 28.304 9.863 -1.781 1.00 0.00 C ATOM 1198 C GLY A 76 27.948 9.451 -3.196 1.00 0.00 C ATOM 1199 O GLY A 76 26.827 9.678 -3.652 1.00 0.00 O ATOM 0 H GLY A 76 30.102 9.391 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.396 9.908 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.728 10.867 -1.794 1.00 0.00 H new ATOM 1203 N ARG A 77 28.904 8.846 -3.892 1.00 0.00 N ATOM 1204 CA ARG A 77 28.687 8.404 -5.264 1.00 0.00 C ATOM 1205 C ARG A 77 27.743 7.206 -5.307 1.00 0.00 C ATOM 1206 O ARG A 77 26.979 7.039 -6.257 1.00 0.00 O ATOM 1207 CB ARG A 77 30.019 8.041 -5.923 1.00 0.00 C ATOM 1208 CG ARG A 77 30.641 9.184 -6.709 1.00 0.00 C ATOM 1209 CD ARG A 77 31.608 9.987 -5.854 1.00 0.00 C ATOM 1210 NE ARG A 77 32.633 10.647 -6.659 1.00 0.00 N ATOM 1211 CZ ARG A 77 33.695 10.021 -7.154 1.00 0.00 C ATOM 1212 NH1 ARG A 77 33.871 8.727 -6.928 1.00 0.00 N ATOM 1213 NH2 ARG A 77 34.583 10.691 -7.877 1.00 0.00 N ATOM 0 H ARG A 77 29.837 8.651 -3.528 1.00 0.00 H new ATOM 0 HA ARG A 77 28.229 9.226 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.719 7.717 -5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 77 29.865 7.193 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 77 31.166 8.786 -7.578 1.00 0.00 H new ATOM 0 HG3 ARG A 77 29.855 9.839 -7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 77 31.055 10.736 -5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.085 9.327 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 77 32.527 11.643 -6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 77 33.190 8.209 -6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 77 34.687 8.249 -7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 77 34.450 11.687 -8.053 1.00 0.00 H new ATOM 0 HH22 ARG A 77 35.398 10.210 -8.257 1.00 0.00 H new ATOM 1227 N ASN A 78 27.803 6.375 -4.271 1.00 0.00 N ATOM 1228 CA ASN A 78 26.955 5.192 -4.191 1.00 0.00 C ATOM 1229 C ASN A 78 25.479 5.578 -4.211 1.00 0.00 C ATOM 1230 O ASN A 78 24.638 4.833 -4.715 1.00 0.00 O ATOM 1231 CB ASN A 78 27.269 4.399 -2.921 1.00 0.00 C ATOM 1232 CG ASN A 78 27.989 3.097 -3.214 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.410 2.168 -3.777 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.259 3.025 -2.834 1.00 0.00 N ATOM 0 H ASN A 78 28.430 6.499 -3.476 1.00 0.00 H new ATOM 0 HA ASN A 78 27.161 4.569 -5.061 1.00 0.00 H new ATOM 0 HB2 ASN A 78 27.883 5.009 -2.258 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.341 4.186 -2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.795 2.175 -3.006 1.00 0.00 H new ATOM 0 HD22 ASN A 78 29.698 3.820 -2.370 1.00 0.00 H new ATOM 1241 N VAL A 79 25.172 6.748 -3.660 1.00 0.00 N ATOM 1242 CA VAL A 79 23.798 7.235 -3.616 1.00 0.00 C ATOM 1243 C VAL A 79 23.487 8.112 -4.823 1.00 0.00 C ATOM 1244 O VAL A 79 22.381 8.635 -4.955 1.00 0.00 O ATOM 1245 CB VAL A 79 23.528 8.036 -2.329 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.489 7.111 -1.122 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.579 9.120 -2.146 1.00 0.00 C ATOM 0 H VAL A 79 25.856 7.376 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 79 23.150 6.358 -3.632 1.00 0.00 H new ATOM 0 HB VAL A 79 22.554 8.517 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.297 7.695 -0.222 1.00 0.00 H new ATOM 0 HG12 VAL A 79 22.696 6.375 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.446 6.599 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.373 9.676 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.566 8.662 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.553 9.800 -2.998 1.00 0.00 H new ATOM 1257 N GLY A 80 24.471 8.270 -5.703 1.00 0.00 N ATOM 1258 CA GLY A 80 24.283 9.085 -6.888 1.00 0.00 C ATOM 1259 C GLY A 80 24.723 10.521 -6.681 1.00 0.00 C ATOM 1260 O GLY A 80 24.617 11.348 -7.587 1.00 0.00 O ATOM 0 H GLY A 80 25.395 7.848 -5.616 1.00 0.00 H new ATOM 0 HA2 GLY A 80 24.845 8.652 -7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.231 9.068 -7.173 1.00 0.00 H new ATOM 1264 N PHE A 81 25.216 10.820 -5.483 1.00 0.00 N ATOM 1265 CA PHE A 81 25.670 12.167 -5.158 1.00 0.00 C ATOM 1266 C PHE A 81 27.158 12.326 -5.458 1.00 0.00 C ATOM 1267 O PHE A 81 27.998 11.654 -4.859 1.00 0.00 O ATOM 1268 CB PHE A 81 25.399 12.477 -3.685 1.00 0.00 C ATOM 1269 CG PHE A 81 23.938 12.540 -3.344 1.00 0.00 C ATOM 1270 CD1 PHE A 81 23.022 13.043 -4.255 1.00 0.00 C ATOM 1271 CD2 PHE A 81 23.480 12.096 -2.114 1.00 0.00 C ATOM 1272 CE1 PHE A 81 21.677 13.102 -3.943 1.00 0.00 C ATOM 1273 CE2 PHE A 81 22.135 12.153 -1.798 1.00 0.00 C ATOM 1274 CZ PHE A 81 21.233 12.656 -2.714 1.00 0.00 C ATOM 0 H PHE A 81 25.311 10.148 -4.722 1.00 0.00 H new ATOM 0 HA PHE A 81 25.115 12.871 -5.778 1.00 0.00 H new ATOM 0 HB2 PHE A 81 25.875 11.715 -3.068 1.00 0.00 H new ATOM 0 HB3 PHE A 81 25.864 13.429 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 81 23.363 13.392 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 81 24.181 11.701 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 81 20.973 13.497 -4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 81 21.791 11.804 -0.836 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.182 12.701 -2.470 1.00 0.00 H new ATOM 1284 N ASP A 82 27.475 13.219 -6.389 1.00 0.00 N ATOM 1285 CA ASP A 82 28.861 13.467 -6.769 1.00 0.00 C ATOM 1286 C ASP A 82 29.511 14.474 -5.824 1.00 0.00 C ATOM 1287 O ASP A 82 30.714 14.414 -5.571 1.00 0.00 O ATOM 1288 CB ASP A 82 28.934 13.980 -8.208 1.00 0.00 C ATOM 1289 CG ASP A 82 28.790 12.866 -9.227 1.00 0.00 C ATOM 1290 OD1 ASP A 82 27.651 12.400 -9.439 1.00 0.00 O ATOM 1291 OD2 ASP A 82 29.817 12.460 -9.811 1.00 0.00 O ATOM 0 H ASP A 82 26.792 13.783 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 82 29.405 12.525 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.148 14.719 -8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 82 29.886 14.489 -8.362 1.00 0.00 H new ATOM 1296 N ASP A 83 28.708 15.397 -5.308 1.00 0.00 N ATOM 1297 CA ASP A 83 29.205 16.417 -4.391 1.00 0.00 C ATOM 1298 C ASP A 83 29.121 15.935 -2.946 1.00 0.00 C ATOM 1299 O ASP A 83 28.037 15.654 -2.438 1.00 0.00 O ATOM 1300 CB ASP A 83 28.409 17.713 -4.557 1.00 0.00 C ATOM 1301 CG ASP A 83 28.611 18.346 -5.920 1.00 0.00 C ATOM 1302 OD1 ASP A 83 28.089 17.796 -6.912 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.292 19.390 -5.994 1.00 0.00 O ATOM 0 H ASP A 83 27.710 15.461 -5.509 1.00 0.00 H new ATOM 0 HA ASP A 83 30.251 16.609 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 83 27.349 17.506 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 83 28.707 18.421 -3.783 1.00 0.00 H new ATOM 1308 N GLN A 84 30.274 15.843 -2.291 1.00 0.00 N ATOM 1309 CA GLN A 84 30.331 15.394 -0.905 1.00 0.00 C ATOM 1310 C GLN A 84 29.584 16.358 0.010 1.00 0.00 C ATOM 1311 O GLN A 84 28.900 15.938 0.945 1.00 0.00 O ATOM 1312 CB GLN A 84 31.785 15.261 -0.449 1.00 0.00 C ATOM 1313 CG GLN A 84 32.610 16.518 -0.675 1.00 0.00 C ATOM 1314 CD GLN A 84 34.037 16.376 -0.182 1.00 0.00 C ATOM 1315 OE1 GLN A 84 34.958 16.153 -0.968 1.00 0.00 O ATOM 1316 NE2 GLN A 84 34.227 16.506 1.126 1.00 0.00 N ATOM 0 H GLN A 84 31.181 16.073 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 84 29.849 14.418 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 84 31.803 15.010 0.612 1.00 0.00 H new ATOM 0 HB3 GLN A 84 32.250 14.431 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 84 32.619 16.756 -1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 84 32.135 17.356 -0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 84 33.434 16.691 1.741 1.00 0.00 H new ATOM 0 HE22 GLN A 84 35.166 16.421 1.516 1.00 0.00 H new ATOM 1325 N LEU A 85 29.720 17.650 -0.263 1.00 0.00 N ATOM 1326 CA LEU A 85 29.058 18.675 0.537 1.00 0.00 C ATOM 1327 C LEU A 85 27.541 18.549 0.436 1.00 0.00 C ATOM 1328 O LEU A 85 26.825 18.745 1.418 1.00 0.00 O ATOM 1329 CB LEU A 85 29.497 20.068 0.081 1.00 0.00 C ATOM 1330 CG LEU A 85 31.005 20.319 0.048 1.00 0.00 C ATOM 1331 CD1 LEU A 85 31.351 21.347 -1.017 1.00 0.00 C ATOM 1332 CD2 LEU A 85 31.499 20.776 1.413 1.00 0.00 C ATOM 0 H LEU A 85 30.283 18.014 -1.032 1.00 0.00 H new ATOM 0 HA LEU A 85 29.347 18.532 1.578 1.00 0.00 H new ATOM 0 HB2 LEU A 85 29.098 20.244 -0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.040 20.805 0.741 1.00 0.00 H new ATOM 0 HG LEU A 85 31.505 19.383 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.428 21.513 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 85 31.032 20.981 -1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.841 22.285 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 85 32.574 20.950 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 85 30.993 21.700 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 85 31.285 20.006 2.154 1.00 0.00 H new ATOM 1344 N TYR A 86 27.058 18.219 -0.757 1.00 0.00 N ATOM 1345 CA TYR A 86 25.627 18.067 -0.987 1.00 0.00 C ATOM 1346 C TYR A 86 25.061 16.917 -0.159 1.00 0.00 C ATOM 1347 O TYR A 86 24.012 17.048 0.472 1.00 0.00 O ATOM 1348 CB TYR A 86 25.350 17.826 -2.472 1.00 0.00 C ATOM 1349 CG TYR A 86 23.904 17.499 -2.773 1.00 0.00 C ATOM 1350 CD1 TYR A 86 22.872 18.123 -2.084 1.00 0.00 C ATOM 1351 CD2 TYR A 86 23.572 16.565 -3.747 1.00 0.00 C ATOM 1352 CE1 TYR A 86 21.550 17.827 -2.355 1.00 0.00 C ATOM 1353 CE2 TYR A 86 22.253 16.263 -4.026 1.00 0.00 C ATOM 1354 CZ TYR A 86 21.246 16.896 -3.327 1.00 0.00 C ATOM 1355 OH TYR A 86 19.931 16.599 -3.602 1.00 0.00 O ATOM 0 H TYR A 86 27.637 18.052 -1.580 1.00 0.00 H new ATOM 0 HA TYR A 86 25.135 18.989 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 86 25.638 18.714 -3.035 1.00 0.00 H new ATOM 0 HB3 TYR A 86 25.979 17.008 -2.822 1.00 0.00 H new ATOM 0 HD1 TYR A 86 23.107 18.852 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 86 24.358 16.067 -4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 86 20.760 18.321 -1.810 1.00 0.00 H new ATOM 0 HE2 TYR A 86 22.012 15.536 -4.787 1.00 0.00 H new ATOM 0 HH TYR A 86 19.509 16.213 -2.806 1.00 0.00 H new ATOM 1365 N PHE A 87 25.765 15.790 -0.166 1.00 0.00 N ATOM 1366 CA PHE A 87 25.335 14.615 0.583 1.00 0.00 C ATOM 1367 C PHE A 87 25.396 14.876 2.085 1.00 0.00 C ATOM 1368 O PHE A 87 24.463 14.552 2.821 1.00 0.00 O ATOM 1369 CB PHE A 87 26.207 13.409 0.227 1.00 0.00 C ATOM 1370 CG PHE A 87 25.963 12.214 1.103 1.00 0.00 C ATOM 1371 CD1 PHE A 87 24.713 11.620 1.155 1.00 0.00 C ATOM 1372 CD2 PHE A 87 26.985 11.685 1.876 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.485 10.519 1.960 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.763 10.584 2.682 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.512 10.002 2.725 1.00 0.00 C ATOM 0 H PHE A 87 26.636 15.666 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 87 24.302 14.399 0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.024 13.132 -0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.256 13.695 0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 87 23.906 12.022 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 87 27.965 12.138 1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.506 10.064 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.568 10.179 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.337 9.143 3.356 1.00 0.00 H new ATOM 1385 N SER A 88 26.501 15.462 2.533 1.00 0.00 N ATOM 1386 CA SER A 88 26.687 15.763 3.948 1.00 0.00 C ATOM 1387 C SER A 88 25.680 16.808 4.419 1.00 0.00 C ATOM 1388 O SER A 88 25.173 16.737 5.538 1.00 0.00 O ATOM 1389 CB SER A 88 28.112 16.260 4.203 1.00 0.00 C ATOM 1390 OG SER A 88 28.221 16.860 5.481 1.00 0.00 O ATOM 0 H SER A 88 27.281 15.738 1.937 1.00 0.00 H new ATOM 0 HA SER A 88 26.523 14.846 4.513 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.810 15.426 4.128 1.00 0.00 H new ATOM 0 HB3 SER A 88 28.392 16.980 3.434 1.00 0.00 H new ATOM 0 HG SER A 88 29.141 17.168 5.620 1.00 0.00 H new ATOM 1396 N ARG A 89 25.395 17.776 3.555 1.00 0.00 N ATOM 1397 CA ARG A 89 24.449 18.837 3.881 1.00 0.00 C ATOM 1398 C ARG A 89 23.053 18.268 4.115 1.00 0.00 C ATOM 1399 O ARG A 89 22.415 18.557 5.128 1.00 0.00 O ATOM 1400 CB ARG A 89 24.407 19.875 2.758 1.00 0.00 C ATOM 1401 CG ARG A 89 25.482 20.943 2.874 1.00 0.00 C ATOM 1402 CD ARG A 89 25.590 21.766 1.600 1.00 0.00 C ATOM 1403 NE ARG A 89 26.599 22.816 1.711 1.00 0.00 N ATOM 1404 CZ ARG A 89 26.398 23.965 2.346 1.00 0.00 C ATOM 1405 NH1 ARG A 89 25.230 24.211 2.924 1.00 0.00 N ATOM 1406 NH2 ARG A 89 27.365 24.871 2.403 1.00 0.00 N ATOM 0 H ARG A 89 25.805 17.848 2.624 1.00 0.00 H new ATOM 0 HA ARG A 89 24.785 19.319 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 89 24.515 19.366 1.800 1.00 0.00 H new ATOM 0 HB3 ARG A 89 23.429 20.355 2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 89 25.255 21.599 3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 89 26.442 20.473 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 89 25.839 21.111 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 89 24.623 22.215 1.375 1.00 0.00 H new ATOM 0 HE ARG A 89 27.508 22.658 1.277 1.00 0.00 H new ATOM 0 HH11 ARG A 89 24.484 23.517 2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 89 25.078 25.094 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 89 28.264 24.686 1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 89 27.209 25.753 2.891 1.00 0.00 H new ATOM 1420 N VAL A 90 22.584 17.457 3.172 1.00 0.00 N ATOM 1421 CA VAL A 90 21.264 16.847 3.275 1.00 0.00 C ATOM 1422 C VAL A 90 21.233 15.786 4.370 1.00 0.00 C ATOM 1423 O VAL A 90 20.307 15.740 5.179 1.00 0.00 O ATOM 1424 CB VAL A 90 20.836 16.206 1.942 1.00 0.00 C ATOM 1425 CG1 VAL A 90 19.474 15.544 2.080 1.00 0.00 C ATOM 1426 CG2 VAL A 90 20.822 17.245 0.831 1.00 0.00 C ATOM 0 H VAL A 90 23.099 17.207 2.328 1.00 0.00 H new ATOM 0 HA VAL A 90 20.565 17.645 3.526 1.00 0.00 H new ATOM 0 HB VAL A 90 21.562 15.437 1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.189 15.097 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 90 19.522 14.769 2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.734 16.291 2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.517 16.774 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 90 20.119 18.039 1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 90 21.820 17.668 0.716 1.00 0.00 H new ATOM 1436 N PHE A 91 22.253 14.935 4.389 1.00 0.00 N ATOM 1437 CA PHE A 91 22.344 13.873 5.384 1.00 0.00 C ATOM 1438 C PHE A 91 22.418 14.453 6.794 1.00 0.00 C ATOM 1439 O PHE A 91 21.869 13.888 7.740 1.00 0.00 O ATOM 1440 CB PHE A 91 23.570 12.997 5.117 1.00 0.00 C ATOM 1441 CG PHE A 91 23.816 11.969 6.184 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.566 12.283 7.306 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.299 10.689 6.065 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.795 11.339 8.289 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.524 9.741 7.045 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.273 10.067 8.159 1.00 0.00 C ATOM 0 H PHE A 91 23.028 14.960 3.727 1.00 0.00 H new ATOM 0 HA PHE A 91 21.445 13.261 5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.444 12.492 4.159 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.450 13.634 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.976 13.276 7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.713 10.429 5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.382 11.596 9.158 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.115 8.747 6.940 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.450 9.328 8.927 1.00 0.00 H new ATOM 1456 N LYS A 92 23.100 15.585 6.926 1.00 0.00 N ATOM 1457 CA LYS A 92 23.247 16.244 8.218 1.00 0.00 C ATOM 1458 C LYS A 92 21.884 16.561 8.825 1.00 0.00 C ATOM 1459 O LYS A 92 21.654 16.335 10.013 1.00 0.00 O ATOM 1460 CB LYS A 92 24.062 17.531 8.068 1.00 0.00 C ATOM 1461 CG LYS A 92 24.133 18.358 9.340 1.00 0.00 C ATOM 1462 CD LYS A 92 24.850 19.677 9.108 1.00 0.00 C ATOM 1463 CE LYS A 92 24.339 20.762 10.044 1.00 0.00 C ATOM 1464 NZ LYS A 92 22.934 21.145 9.735 1.00 0.00 N ATOM 0 H LYS A 92 23.560 16.066 6.153 1.00 0.00 H new ATOM 0 HA LYS A 92 23.774 15.564 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.074 17.276 7.754 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.625 18.137 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.125 18.551 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.651 17.792 10.114 1.00 0.00 H new ATOM 0 HD2 LYS A 92 25.921 19.541 9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 92 24.710 19.992 8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.402 20.412 11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.980 21.640 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 22.748 22.103 10.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 22.788 21.127 8.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.283 20.473 10.189 1.00 0.00 H new ATOM 1478 N LYS A 93 20.982 17.085 8.001 1.00 0.00 N ATOM 1479 CA LYS A 93 19.641 17.431 8.455 1.00 0.00 C ATOM 1480 C LYS A 93 18.783 16.181 8.620 1.00 0.00 C ATOM 1481 O LYS A 93 17.831 16.168 9.402 1.00 0.00 O ATOM 1482 CB LYS A 93 18.977 18.391 7.466 1.00 0.00 C ATOM 1483 CG LYS A 93 19.861 19.559 7.065 1.00 0.00 C ATOM 1484 CD LYS A 93 19.040 20.801 6.758 1.00 0.00 C ATOM 1485 CE LYS A 93 18.134 20.586 5.555 1.00 0.00 C ATOM 1486 NZ LYS A 93 18.914 20.383 4.302 1.00 0.00 N ATOM 0 H LYS A 93 21.156 17.279 7.015 1.00 0.00 H new ATOM 0 HA LYS A 93 19.728 17.921 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.692 17.838 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.058 18.777 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 93 20.565 19.776 7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.451 19.286 6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.437 21.064 7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.707 21.642 6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.497 19.719 5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.476 21.447 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.279 20.460 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.657 21.108 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.351 19.439 4.314 1.00 0.00 H new ATOM 1500 N CYS A 94 19.126 15.132 7.881 1.00 0.00 N ATOM 1501 CA CYS A 94 18.387 13.876 7.946 1.00 0.00 C ATOM 1502 C CYS A 94 18.339 13.347 9.375 1.00 0.00 C ATOM 1503 O CYS A 94 17.274 12.998 9.886 1.00 0.00 O ATOM 1504 CB CYS A 94 19.026 12.836 7.025 1.00 0.00 C ATOM 1505 SG CYS A 94 17.875 11.581 6.417 1.00 0.00 S ATOM 0 H CYS A 94 19.911 15.126 7.230 1.00 0.00 H new ATOM 0 HA CYS A 94 17.366 14.066 7.614 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.473 13.347 6.172 1.00 0.00 H new ATOM 0 HB3 CYS A 94 19.836 12.341 7.560 1.00 0.00 H new ATOM 0 HG CYS A 94 18.164 10.432 6.952 1.00 0.00 H new ATOM 1511 N THR A 95 19.502 13.287 10.018 1.00 0.00 N ATOM 1512 CA THR A 95 19.594 12.797 11.388 1.00 0.00 C ATOM 1513 C THR A 95 19.884 13.935 12.360 1.00 0.00 C ATOM 1514 O THR A 95 19.824 13.757 13.575 1.00 0.00 O ATOM 1515 CB THR A 95 20.690 11.724 11.528 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.898 12.174 10.906 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.247 10.413 10.898 1.00 0.00 C ATOM 0 H THR A 95 20.393 13.572 9.611 1.00 0.00 H new ATOM 0 HA THR A 95 18.629 12.353 11.631 1.00 0.00 H new ATOM 0 HB THR A 95 20.870 11.556 12.590 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.590 11.487 11.001 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.037 9.671 11.009 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.343 10.058 11.394 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.042 10.569 9.839 1.00 0.00 H new ATOM 1525 N GLY A 96 20.200 15.107 11.816 1.00 0.00 N ATOM 1526 CA GLY A 96 20.495 16.257 12.650 1.00 0.00 C ATOM 1527 C GLY A 96 21.982 16.441 12.879 1.00 0.00 C ATOM 1528 O GLY A 96 22.409 17.443 13.451 1.00 0.00 O ATOM 0 H GLY A 96 20.257 15.280 10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.089 17.154 12.183 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.994 16.143 13.611 1.00 0.00 H new ATOM 1532 N ALA A 97 22.772 15.470 12.432 1.00 0.00 N ATOM 1533 CA ALA A 97 24.220 15.530 12.591 1.00 0.00 C ATOM 1534 C ALA A 97 24.931 15.071 11.322 1.00 0.00 C ATOM 1535 O ALA A 97 24.430 14.214 10.594 1.00 0.00 O ATOM 1536 CB ALA A 97 24.656 14.685 13.778 1.00 0.00 C ATOM 0 H ALA A 97 22.434 14.633 11.957 1.00 0.00 H new ATOM 0 HA ALA A 97 24.498 16.568 12.777 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.739 14.739 13.885 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.183 15.060 14.685 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.359 13.649 13.616 1.00 0.00 H new ATOM 1542 N SER A 98 26.101 15.647 11.064 1.00 0.00 N ATOM 1543 CA SER A 98 26.879 15.299 9.880 1.00 0.00 C ATOM 1544 C SER A 98 27.350 13.850 9.946 1.00 0.00 C ATOM 1545 O SER A 98 27.362 13.222 11.005 1.00 0.00 O ATOM 1546 CB SER A 98 28.082 16.233 9.742 1.00 0.00 C ATOM 1547 OG SER A 98 28.369 16.880 10.970 1.00 0.00 O ATOM 0 H SER A 98 26.531 16.356 11.658 1.00 0.00 H new ATOM 0 HA SER A 98 26.237 15.414 9.007 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.952 15.664 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.881 16.979 8.973 1.00 0.00 H new ATOM 0 HG SER A 98 29.143 17.470 10.856 1.00 0.00 H new ATOM 1553 N PRO A 99 27.749 13.305 8.787 1.00 0.00 N ATOM 1554 CA PRO A 99 28.230 11.924 8.686 1.00 0.00 C ATOM 1555 C PRO A 99 29.586 11.731 9.356 1.00 0.00 C ATOM 1556 O PRO A 99 29.877 10.663 9.893 1.00 0.00 O ATOM 1557 CB PRO A 99 28.342 11.697 7.176 1.00 0.00 C ATOM 1558 CG PRO A 99 28.537 13.058 6.602 1.00 0.00 C ATOM 1559 CD PRO A 99 27.761 13.995 7.487 1.00 0.00 C ATOM 0 HA PRO A 99 27.563 11.223 9.188 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.179 11.042 6.935 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.443 11.225 6.779 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.593 13.325 6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.177 13.104 5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.239 14.972 7.555 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.752 14.160 7.110 1.00 0.00 H new ATOM 1567 N SER A 100 30.411 12.773 9.321 1.00 0.00 N ATOM 1568 CA SER A 100 31.738 12.717 9.922 1.00 0.00 C ATOM 1569 C SER A 100 31.643 12.613 11.441 1.00 0.00 C ATOM 1570 O SER A 100 32.470 11.966 12.082 1.00 0.00 O ATOM 1571 CB SER A 100 32.550 13.955 9.534 1.00 0.00 C ATOM 1572 OG SER A 100 33.779 14.000 10.238 1.00 0.00 O ATOM 0 H SER A 100 30.184 13.666 8.883 1.00 0.00 H new ATOM 0 HA SER A 100 32.243 11.827 9.545 1.00 0.00 H new ATOM 0 HB2 SER A 100 32.742 13.946 8.461 1.00 0.00 H new ATOM 0 HB3 SER A 100 31.972 14.854 9.747 1.00 0.00 H new ATOM 0 HG SER A 100 34.280 14.799 9.971 1.00 0.00 H new ATOM 1578 N GLU A 101 30.627 13.255 12.009 1.00 0.00 N ATOM 1579 CA GLU A 101 30.423 13.235 13.453 1.00 0.00 C ATOM 1580 C GLU A 101 29.875 11.885 13.907 1.00 0.00 C ATOM 1581 O GLU A 101 30.367 11.294 14.868 1.00 0.00 O ATOM 1582 CB GLU A 101 29.466 14.353 13.870 1.00 0.00 C ATOM 1583 CG GLU A 101 29.354 14.529 15.376 1.00 0.00 C ATOM 1584 CD GLU A 101 29.535 15.970 15.810 1.00 0.00 C ATOM 1585 OE1 GLU A 101 30.683 16.460 15.777 1.00 0.00 O ATOM 1586 OE2 GLU A 101 28.529 16.608 16.183 1.00 0.00 O ATOM 0 H GLU A 101 29.933 13.795 11.492 1.00 0.00 H new ATOM 0 HA GLU A 101 31.388 13.395 13.933 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.801 15.291 13.427 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.477 14.144 13.463 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.379 14.173 15.708 1.00 0.00 H new ATOM 0 HG3 GLU A 101 30.104 13.909 15.867 1.00 0.00 H new ATOM 1593 N PHE A 102 28.852 11.404 13.208 1.00 0.00 N ATOM 1594 CA PHE A 102 28.235 10.125 13.539 1.00 0.00 C ATOM 1595 C PHE A 102 29.249 8.989 13.438 1.00 0.00 C ATOM 1596 O PHE A 102 29.309 8.117 14.304 1.00 0.00 O ATOM 1597 CB PHE A 102 27.050 9.850 12.611 1.00 0.00 C ATOM 1598 CG PHE A 102 26.357 8.549 12.893 1.00 0.00 C ATOM 1599 CD1 PHE A 102 26.801 7.372 12.312 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.261 8.502 13.739 1.00 0.00 C ATOM 1601 CE1 PHE A 102 26.164 6.172 12.570 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.619 7.305 14.001 1.00 0.00 C ATOM 1603 CZ PHE A 102 25.072 6.139 13.416 1.00 0.00 C ATOM 0 H PHE A 102 28.433 11.880 12.409 1.00 0.00 H new ATOM 0 HA PHE A 102 27.877 10.179 14.567 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.330 10.663 12.703 1.00 0.00 H new ATOM 0 HB3 PHE A 102 27.400 9.850 11.579 1.00 0.00 H new ATOM 0 HD1 PHE A 102 27.654 7.392 11.650 1.00 0.00 H new ATOM 0 HD2 PHE A 102 24.903 9.411 14.200 1.00 0.00 H new ATOM 0 HE1 PHE A 102 26.520 5.262 12.111 1.00 0.00 H new ATOM 0 HE2 PHE A 102 23.765 7.282 14.662 1.00 0.00 H new ATOM 0 HZ PHE A 102 24.574 5.203 13.619 1.00 0.00 H new ATOM 1613 N ARG A 103 30.044 9.007 12.372 1.00 0.00 N ATOM 1614 CA ARG A 103 31.054 7.979 12.155 1.00 0.00 C ATOM 1615 C ARG A 103 32.111 8.014 13.255 1.00 0.00 C ATOM 1616 O ARG A 103 32.560 6.973 13.732 1.00 0.00 O ATOM 1617 CB ARG A 103 31.717 8.165 10.789 1.00 0.00 C ATOM 1618 CG ARG A 103 32.320 6.889 10.226 1.00 0.00 C ATOM 1619 CD ARG A 103 33.667 6.581 10.862 1.00 0.00 C ATOM 1620 NE ARG A 103 34.531 5.814 9.969 1.00 0.00 N ATOM 1621 CZ ARG A 103 35.725 5.351 10.321 1.00 0.00 C ATOM 1622 NH1 ARG A 103 36.194 5.575 11.541 1.00 0.00 N ATOM 1623 NH2 ARG A 103 36.453 4.660 9.453 1.00 0.00 N ATOM 0 H ARG A 103 30.007 9.722 11.646 1.00 0.00 H new ATOM 0 HA ARG A 103 30.559 7.008 12.181 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.978 8.549 10.085 1.00 0.00 H new ATOM 0 HB3 ARG A 103 32.499 8.920 10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 103 31.637 6.057 10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 103 32.440 6.987 9.147 1.00 0.00 H new ATOM 0 HD2 ARG A 103 34.162 7.514 11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 103 33.513 6.023 11.785 1.00 0.00 H new ATOM 0 HE ARG A 103 34.199 5.623 9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 103 35.637 6.104 12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 103 37.111 5.218 11.808 1.00 0.00 H new ATOM 0 HH21 ARG A 103 36.096 4.484 8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 103 37.370 4.305 9.725 1.00 0.00 H new ATOM 1637 N ALA A 104 32.504 9.220 13.652 1.00 0.00 N ATOM 1638 CA ALA A 104 33.507 9.392 14.696 1.00 0.00 C ATOM 1639 C ALA A 104 33.031 8.798 16.017 1.00 0.00 C ATOM 1640 O ALA A 104 33.827 8.279 16.798 1.00 0.00 O ATOM 1641 CB ALA A 104 33.842 10.866 14.868 1.00 0.00 C ATOM 0 H ALA A 104 32.143 10.093 13.266 1.00 0.00 H new ATOM 0 HA ALA A 104 34.408 8.859 14.392 1.00 0.00 H new ATOM 0 HB1 ALA A 104 34.592 10.980 15.651 1.00 0.00 H new ATOM 0 HB2 ALA A 104 34.233 11.262 13.931 1.00 0.00 H new ATOM 0 HB3 ALA A 104 32.942 11.414 15.146 1.00 0.00 H new ATOM 1647 N GLY A 105 31.726 8.878 16.262 1.00 0.00 N ATOM 1648 CA GLY A 105 31.167 8.345 17.490 1.00 0.00 C ATOM 1649 C GLY A 105 31.154 9.365 18.611 1.00 0.00 C ATOM 1650 O GLY A 105 30.563 9.130 19.666 1.00 0.00 O ATOM 0 H GLY A 105 31.046 9.303 15.631 1.00 0.00 H new ATOM 0 HA2 GLY A 105 30.149 8.002 17.303 1.00 0.00 H new ATOM 0 HA3 GLY A 105 31.745 7.475 17.801 1.00 0.00 H new ATOM 1654 N CYS A 106 31.806 10.500 18.384 1.00 0.00 N ATOM 1655 CA CYS A 106 31.868 11.559 19.385 1.00 0.00 C ATOM 1656 C CYS A 106 30.590 12.391 19.377 1.00 0.00 C ATOM 1657 O CYS A 106 30.084 12.756 18.317 1.00 0.00 O ATOM 1658 CB CYS A 106 33.079 12.458 19.131 1.00 0.00 C ATOM 1659 SG CYS A 106 33.618 13.397 20.579 1.00 0.00 S ATOM 0 H CYS A 106 32.299 10.710 17.516 1.00 0.00 H new ATOM 0 HA CYS A 106 31.969 11.093 20.365 1.00 0.00 H new ATOM 0 HB2 CYS A 106 33.908 11.843 18.781 1.00 0.00 H new ATOM 0 HB3 CYS A 106 32.839 13.155 18.328 1.00 0.00 H new ATOM 0 HG CYS A 106 34.648 14.125 20.265 1.00 0.00 H new ATOM 1665 N GLU A 107 30.074 12.686 20.566 1.00 0.00 N ATOM 1666 CA GLU A 107 28.853 13.473 20.694 1.00 0.00 C ATOM 1667 C GLU A 107 29.129 14.792 21.410 1.00 0.00 C ATOM 1668 O GLU A 107 29.829 14.826 22.421 1.00 0.00 O ATOM 1669 CB GLU A 107 27.787 12.681 21.454 1.00 0.00 C ATOM 1670 CG GLU A 107 26.446 13.391 21.538 1.00 0.00 C ATOM 1671 CD GLU A 107 25.631 12.957 22.740 1.00 0.00 C ATOM 1672 OE1 GLU A 107 26.238 12.635 23.783 1.00 0.00 O ATOM 1673 OE2 GLU A 107 24.386 12.940 22.639 1.00 0.00 O ATOM 0 H GLU A 107 30.482 12.392 21.454 1.00 0.00 H new ATOM 0 HA GLU A 107 28.486 13.693 19.692 1.00 0.00 H new ATOM 0 HB2 GLU A 107 27.648 11.716 20.967 1.00 0.00 H new ATOM 0 HB3 GLU A 107 28.146 12.480 22.463 1.00 0.00 H new ATOM 0 HG2 GLU A 107 26.611 14.467 21.585 1.00 0.00 H new ATOM 0 HG3 GLU A 107 25.878 13.195 20.629 1.00 0.00 H new TER 1680 GLU A 107