USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.782 (180deg=0.201) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.045 USER MOD Single : A 11 MET CE :methyl -127:sc= -3.68 (180deg=-10.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 157:sc= 0 (180deg=-0.944) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -51:sc= 0.135 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0275 (180deg=-0.171) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.381 X(o=-0.38,f=-0.094) USER MOD Single : A 30 THR OG1 : rot -113:sc= 0.156 USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= -0.0575 (180deg=-0.394) USER MOD Single : A 34 TYR OH : rot -110:sc= 1.06 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 141:sc= -1.58! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -94:sc= 0.148 USER MOD Single : A 55 SER OG : rot -36:sc= -0.311 USER MOD Single : A 59 ASN : amide:sc= -0.744 X(o=-0.74,f=-0.81) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.0936 K(o=0.094,f=-3.7!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.165 USER MOD Single : A 66 THR OG1 : rot -48:sc= 0.855 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 78 SER OG : rot 11:sc= 1.71 USER MOD Single : A 79 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0721) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot -153:sc= 0.0536 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.952 -1.434 -2.784 1.00 73.24 N ATOM 2 CA MET A 1 4.681 -1.107 -2.149 1.00 34.32 C ATOM 3 C MET A 1 3.584 -2.065 -2.602 1.00 73.52 C ATOM 4 O MET A 1 2.712 -1.698 -3.389 1.00 51.20 O ATOM 5 CB MET A 1 4.280 0.334 -2.471 1.00 64.31 C ATOM 6 CG MET A 1 5.148 1.374 -1.781 1.00 53.12 C ATOM 7 SD MET A 1 6.640 1.765 -2.716 1.00 35.15 S ATOM 8 CE MET A 1 6.660 3.551 -2.590 1.00 14.54 C ATOM 0 H1 MET A 1 6.488 -0.560 -2.958 1.00 73.24 H new ATOM 0 H2 MET A 1 6.501 -2.059 -2.160 1.00 73.24 H new ATOM 0 H3 MET A 1 5.774 -1.917 -3.688 1.00 73.24 H new ATOM 0 HA MET A 1 4.806 -1.209 -1.071 1.00 34.32 H new ATOM 0 HB2 MET A 1 4.333 0.485 -3.549 1.00 64.31 H new ATOM 0 HB3 MET A 1 3.241 0.488 -2.179 1.00 64.31 H new ATOM 0 HG2 MET A 1 4.568 2.285 -1.632 1.00 53.12 H new ATOM 0 HG3 MET A 1 5.428 1.010 -0.793 1.00 53.12 H new ATOM 0 HE1 MET A 1 7.527 3.943 -3.121 1.00 14.54 H new ATOM 0 HE2 MET A 1 5.750 3.957 -3.032 1.00 14.54 H new ATOM 0 HE3 MET A 1 6.715 3.841 -1.541 1.00 14.54 H new ATOM 18 N ALA A 2 3.634 -3.295 -2.101 1.00 21.30 N ATOM 19 CA ALA A 2 2.644 -4.305 -2.454 1.00 32.15 C ATOM 20 C ALA A 2 1.962 -4.863 -1.209 1.00 74.01 C ATOM 21 O ALA A 2 2.330 -4.527 -0.084 1.00 41.42 O ATOM 22 CB ALA A 2 3.294 -5.427 -3.249 1.00 63.11 C ATOM 0 H ALA A 2 4.350 -3.616 -1.449 1.00 21.30 H new ATOM 0 HA ALA A 2 1.882 -3.831 -3.073 1.00 32.15 H new ATOM 0 HB1 ALA A 2 2.543 -6.174 -3.506 1.00 63.11 H new ATOM 0 HB2 ALA A 2 3.729 -5.021 -4.162 1.00 63.11 H new ATOM 0 HB3 ALA A 2 4.077 -5.891 -2.650 1.00 63.11 H new ATOM 28 N ALA A 3 0.965 -5.717 -1.419 1.00 10.22 N ATOM 29 CA ALA A 3 0.232 -6.322 -0.314 1.00 23.24 C ATOM 30 C ALA A 3 0.453 -7.830 -0.270 1.00 33.44 C ATOM 31 O ALA A 3 -0.305 -8.597 -0.865 1.00 61.23 O ATOM 32 CB ALA A 3 -1.252 -6.007 -0.429 1.00 3.24 C ATOM 0 H ALA A 3 0.647 -6.005 -2.344 1.00 10.22 H new ATOM 0 HA ALA A 3 0.611 -5.898 0.616 1.00 23.24 H new ATOM 0 HB1 ALA A 3 -1.787 -6.465 0.403 1.00 3.24 H new ATOM 0 HB2 ALA A 3 -1.398 -4.927 -0.403 1.00 3.24 H new ATOM 0 HB3 ALA A 3 -1.636 -6.403 -1.369 1.00 3.24 H new ATOM 38 N THR A 4 1.496 -8.251 0.439 1.00 32.23 N ATOM 39 CA THR A 4 1.817 -9.668 0.559 1.00 0.43 C ATOM 40 C THR A 4 1.265 -10.249 1.856 1.00 5.53 C ATOM 41 O THR A 4 1.850 -11.164 2.436 1.00 13.23 O ATOM 42 CB THR A 4 3.338 -9.905 0.510 1.00 42.21 C ATOM 43 OG1 THR A 4 3.958 -9.353 1.677 1.00 62.12 O ATOM 44 CG2 THR A 4 3.943 -9.278 -0.737 1.00 5.52 C ATOM 0 H THR A 4 2.133 -7.631 0.939 1.00 32.23 H new ATOM 0 HA THR A 4 1.351 -10.171 -0.288 1.00 0.43 H new ATOM 0 HB THR A 4 3.515 -10.980 0.480 1.00 42.21 H new ATOM 0 HG1 THR A 4 4.925 -9.509 1.639 1.00 62.12 H new ATOM 0 HG21 THR A 4 5.018 -9.458 -0.750 1.00 5.52 H new ATOM 0 HG22 THR A 4 3.490 -9.722 -1.624 1.00 5.52 H new ATOM 0 HG23 THR A 4 3.755 -8.204 -0.732 1.00 5.52 H new ATOM 52 N VAL A 5 0.136 -9.711 2.307 1.00 60.42 N ATOM 53 CA VAL A 5 -0.496 -10.178 3.535 1.00 22.11 C ATOM 54 C VAL A 5 -1.907 -9.617 3.675 1.00 64.53 C ATOM 55 O VAL A 5 -2.113 -8.405 3.611 1.00 2.11 O ATOM 56 CB VAL A 5 0.327 -9.782 4.775 1.00 3.02 C ATOM 57 CG1 VAL A 5 0.517 -8.274 4.831 1.00 15.22 C ATOM 58 CG2 VAL A 5 -0.342 -10.291 6.043 1.00 23.10 C ATOM 0 H VAL A 5 -0.359 -8.951 1.840 1.00 60.42 H new ATOM 0 HA VAL A 5 -0.545 -11.265 3.472 1.00 22.11 H new ATOM 0 HB VAL A 5 1.311 -10.245 4.700 1.00 3.02 H new ATOM 0 HG11 VAL A 5 1.101 -8.013 5.714 1.00 15.22 H new ATOM 0 HG12 VAL A 5 1.043 -7.940 3.937 1.00 15.22 H new ATOM 0 HG13 VAL A 5 -0.456 -7.786 4.883 1.00 15.22 H new ATOM 0 HG21 VAL A 5 0.253 -10.002 6.909 1.00 23.10 H new ATOM 0 HG22 VAL A 5 -1.339 -9.859 6.127 1.00 23.10 H new ATOM 0 HG23 VAL A 5 -0.420 -11.377 6.002 1.00 23.10 H new ATOM 68 N CYS A 6 -2.874 -10.507 3.866 1.00 74.03 N ATOM 69 CA CYS A 6 -4.268 -10.101 4.014 1.00 25.24 C ATOM 70 C CYS A 6 -4.766 -10.375 5.430 1.00 64.34 C ATOM 71 O CYS A 6 -4.907 -11.529 5.838 1.00 52.42 O ATOM 72 CB CYS A 6 -5.145 -10.836 3.000 1.00 34.14 C ATOM 73 SG CYS A 6 -5.032 -10.185 1.317 1.00 31.33 S ATOM 0 H CYS A 6 -2.719 -11.514 3.922 1.00 74.03 H new ATOM 0 HA CYS A 6 -4.331 -9.029 3.827 1.00 25.24 H new ATOM 0 HB2 CYS A 6 -4.865 -11.889 2.990 1.00 34.14 H new ATOM 0 HB3 CYS A 6 -6.183 -10.785 3.329 1.00 34.14 H new ATOM 0 HG CYS A 6 -5.807 -10.873 0.533 1.00 31.33 H new ATOM 79 N THR A 7 -5.029 -9.307 6.176 1.00 21.22 N ATOM 80 CA THR A 7 -5.508 -9.432 7.547 1.00 52.02 C ATOM 81 C THR A 7 -7.022 -9.605 7.586 1.00 32.42 C ATOM 82 O THR A 7 -7.733 -9.138 6.696 1.00 70.42 O ATOM 83 CB THR A 7 -5.122 -8.203 8.391 1.00 25.13 C ATOM 84 OG1 THR A 7 -4.218 -7.369 7.657 1.00 12.04 O ATOM 85 CG2 THR A 7 -4.476 -8.628 9.702 1.00 72.34 C ATOM 0 H THR A 7 -4.918 -8.346 5.854 1.00 21.22 H new ATOM 0 HA THR A 7 -5.032 -10.317 7.969 1.00 52.02 H new ATOM 0 HB THR A 7 -6.031 -7.644 8.616 1.00 25.13 H new ATOM 0 HG1 THR A 7 -3.979 -6.589 8.200 1.00 12.04 H new ATOM 0 HG21 THR A 7 -4.212 -7.743 10.281 1.00 72.34 H new ATOM 0 HG22 THR A 7 -5.176 -9.239 10.272 1.00 72.34 H new ATOM 0 HG23 THR A 7 -3.576 -9.207 9.493 1.00 72.34 H new ATOM 93 N ILE A 8 -7.509 -10.279 8.623 1.00 11.41 N ATOM 94 CA ILE A 8 -8.940 -10.511 8.778 1.00 25.55 C ATOM 95 C ILE A 8 -9.424 -10.060 10.152 1.00 20.32 C ATOM 96 O ILE A 8 -8.686 -9.424 10.904 1.00 50.35 O ATOM 97 CB ILE A 8 -9.292 -11.998 8.585 1.00 72.10 C ATOM 98 CG1 ILE A 8 -8.017 -12.838 8.484 1.00 74.22 C ATOM 99 CG2 ILE A 8 -10.153 -12.181 7.344 1.00 34.13 C ATOM 100 CD1 ILE A 8 -7.328 -12.732 7.141 1.00 14.44 C ATOM 0 H ILE A 8 -6.934 -10.674 9.368 1.00 11.41 H new ATOM 0 HA ILE A 8 -9.441 -9.924 8.008 1.00 25.55 H new ATOM 0 HB ILE A 8 -9.860 -12.337 9.451 1.00 72.10 H new ATOM 0 HG12 ILE A 8 -7.323 -12.526 9.265 1.00 74.22 H new ATOM 0 HG13 ILE A 8 -8.264 -13.882 8.675 1.00 74.22 H new ATOM 0 HG21 ILE A 8 -10.394 -13.237 7.221 1.00 34.13 H new ATOM 0 HG22 ILE A 8 -11.074 -11.609 7.453 1.00 34.13 H new ATOM 0 HG23 ILE A 8 -9.608 -11.828 6.468 1.00 34.13 H new ATOM 0 HD11 ILE A 8 -6.432 -13.353 7.142 1.00 14.44 H new ATOM 0 HD12 ILE A 8 -8.005 -13.072 6.357 1.00 14.44 H new ATOM 0 HD13 ILE A 8 -7.050 -11.695 6.956 1.00 14.44 H new ATOM 112 N ALA A 9 -10.669 -10.396 10.474 1.00 22.12 N ATOM 113 CA ALA A 9 -11.251 -10.029 11.759 1.00 20.12 C ATOM 114 C ALA A 9 -10.281 -10.310 12.902 1.00 61.33 C ATOM 115 O ALA A 9 -10.054 -9.457 13.760 1.00 63.31 O ATOM 116 CB ALA A 9 -12.559 -10.775 11.979 1.00 64.43 C ATOM 0 H ALA A 9 -11.294 -10.922 9.863 1.00 22.12 H new ATOM 0 HA ALA A 9 -11.454 -8.958 11.745 1.00 20.12 H new ATOM 0 HB1 ALA A 9 -12.982 -10.491 12.943 1.00 64.43 H new ATOM 0 HB2 ALA A 9 -13.261 -10.520 11.185 1.00 64.43 H new ATOM 0 HB3 ALA A 9 -12.372 -11.849 11.967 1.00 64.43 H new ATOM 122 N ASP A 10 -9.713 -11.511 12.907 1.00 45.12 N ATOM 123 CA ASP A 10 -8.766 -11.904 13.944 1.00 32.43 C ATOM 124 C ASP A 10 -7.816 -12.983 13.433 1.00 40.55 C ATOM 125 O ASP A 10 -7.751 -14.080 13.986 1.00 53.13 O ATOM 126 CB ASP A 10 -9.512 -12.410 15.180 1.00 15.31 C ATOM 127 CG ASP A 10 -10.557 -11.425 15.669 1.00 62.25 C ATOM 128 OD1 ASP A 10 -10.206 -10.540 16.478 1.00 72.54 O ATOM 129 OD2 ASP A 10 -11.724 -11.539 15.241 1.00 14.31 O ATOM 0 H ASP A 10 -9.892 -12.229 12.205 1.00 45.12 H new ATOM 0 HA ASP A 10 -8.179 -11.027 14.216 1.00 32.43 H new ATOM 0 HB2 ASP A 10 -9.993 -13.360 14.947 1.00 15.31 H new ATOM 0 HB3 ASP A 10 -8.796 -12.603 15.979 1.00 15.31 H new ATOM 134 N MET A 11 -7.081 -12.662 12.372 1.00 15.14 N ATOM 135 CA MET A 11 -6.135 -13.603 11.786 1.00 24.52 C ATOM 136 C MET A 11 -5.244 -12.911 10.759 1.00 13.13 C ATOM 137 O MET A 11 -5.489 -11.764 10.383 1.00 62.24 O ATOM 138 CB MET A 11 -6.880 -14.767 11.130 1.00 61.30 C ATOM 139 CG MET A 11 -6.134 -16.089 11.211 1.00 71.41 C ATOM 140 SD MET A 11 -7.216 -17.513 10.975 1.00 2.41 S ATOM 141 CE MET A 11 -6.184 -18.831 11.611 1.00 20.22 C ATOM 0 H MET A 11 -7.123 -11.758 11.902 1.00 15.14 H new ATOM 0 HA MET A 11 -5.504 -13.990 12.586 1.00 24.52 H new ATOM 0 HB2 MET A 11 -7.854 -14.879 11.607 1.00 61.30 H new ATOM 0 HB3 MET A 11 -7.063 -14.526 10.083 1.00 61.30 H new ATOM 0 HG2 MET A 11 -5.348 -16.105 10.456 1.00 71.41 H new ATOM 0 HG3 MET A 11 -5.644 -16.167 12.182 1.00 71.41 H new ATOM 0 HE1 MET A 11 -6.106 -19.623 10.867 1.00 20.22 H new ATOM 0 HE2 MET A 11 -5.190 -18.441 11.832 1.00 20.22 H new ATOM 0 HE3 MET A 11 -6.627 -19.232 12.523 1.00 20.22 H new ATOM 151 N THR A 12 -4.210 -13.614 10.309 1.00 24.13 N ATOM 152 CA THR A 12 -3.282 -13.066 9.327 1.00 33.44 C ATOM 153 C THR A 12 -2.965 -14.088 8.242 1.00 44.04 C ATOM 154 O THR A 12 -2.230 -15.048 8.474 1.00 21.01 O ATOM 155 CB THR A 12 -1.968 -12.611 9.989 1.00 63.41 C ATOM 156 OG1 THR A 12 -2.239 -12.027 11.268 1.00 73.23 O ATOM 157 CG2 THR A 12 -1.240 -11.605 9.110 1.00 22.23 C ATOM 0 H THR A 12 -3.994 -14.565 10.609 1.00 24.13 H new ATOM 0 HA THR A 12 -3.771 -12.202 8.877 1.00 33.44 H new ATOM 0 HB THR A 12 -1.330 -13.486 10.118 1.00 63.41 H new ATOM 0 HG1 THR A 12 -1.398 -11.742 11.682 1.00 73.23 H new ATOM 0 HG21 THR A 12 -0.315 -11.298 9.598 1.00 22.23 H new ATOM 0 HG22 THR A 12 -1.008 -12.063 8.148 1.00 22.23 H new ATOM 0 HG23 THR A 12 -1.874 -10.733 8.953 1.00 22.23 H new ATOM 165 N VAL A 13 -3.522 -13.875 7.054 1.00 70.12 N ATOM 166 CA VAL A 13 -3.296 -14.777 5.931 1.00 53.14 C ATOM 167 C VAL A 13 -2.185 -14.259 5.025 1.00 63.12 C ATOM 168 O VAL A 13 -2.194 -13.099 4.614 1.00 15.53 O ATOM 169 CB VAL A 13 -4.577 -14.966 5.096 1.00 12.13 C ATOM 170 CG1 VAL A 13 -4.314 -15.886 3.914 1.00 22.44 C ATOM 171 CG2 VAL A 13 -5.703 -15.508 5.964 1.00 2.23 C ATOM 0 H VAL A 13 -4.133 -13.086 6.844 1.00 70.12 H new ATOM 0 HA VAL A 13 -3.000 -15.738 6.352 1.00 53.14 H new ATOM 0 HB VAL A 13 -4.883 -13.995 4.708 1.00 12.13 H new ATOM 0 HG11 VAL A 13 -5.230 -16.007 3.336 1.00 22.44 H new ATOM 0 HG12 VAL A 13 -3.540 -15.452 3.280 1.00 22.44 H new ATOM 0 HG13 VAL A 13 -3.982 -16.859 4.277 1.00 22.44 H new ATOM 0 HG21 VAL A 13 -6.600 -15.635 5.358 1.00 2.23 H new ATOM 0 HG22 VAL A 13 -5.408 -16.470 6.383 1.00 2.23 H new ATOM 0 HG23 VAL A 13 -5.908 -14.807 6.773 1.00 2.23 H new ATOM 181 N ASP A 14 -1.228 -15.127 4.717 1.00 62.44 N ATOM 182 CA ASP A 14 -0.109 -14.759 3.857 1.00 4.24 C ATOM 183 C ASP A 14 -0.325 -15.267 2.435 1.00 0.23 C ATOM 184 O ASP A 14 -0.536 -16.459 2.217 1.00 31.43 O ATOM 185 CB ASP A 14 1.199 -15.319 4.419 1.00 42.12 C ATOM 186 CG ASP A 14 2.198 -14.229 4.756 1.00 62.52 C ATOM 187 OD1 ASP A 14 2.598 -13.486 3.836 1.00 42.53 O ATOM 188 OD2 ASP A 14 2.579 -14.120 5.940 1.00 64.33 O ATOM 0 H ASP A 14 -1.204 -16.091 5.050 1.00 62.44 H new ATOM 0 HA ASP A 14 -0.047 -13.671 3.829 1.00 4.24 H new ATOM 0 HB2 ASP A 14 0.986 -15.902 5.315 1.00 42.12 H new ATOM 0 HB3 ASP A 14 1.641 -16.001 3.692 1.00 42.12 H new ATOM 193 N MET A 15 -0.272 -14.353 1.472 1.00 61.14 N ATOM 194 CA MET A 15 -0.462 -14.709 0.070 1.00 31.22 C ATOM 195 C MET A 15 0.839 -15.217 -0.543 1.00 31.51 C ATOM 196 O MET A 15 0.837 -15.819 -1.617 1.00 41.01 O ATOM 197 CB MET A 15 -0.975 -13.503 -0.719 1.00 62.45 C ATOM 198 CG MET A 15 0.009 -12.346 -0.767 1.00 51.55 C ATOM 199 SD MET A 15 -0.013 -11.481 -2.350 1.00 2.25 S ATOM 200 CE MET A 15 1.153 -12.464 -3.289 1.00 21.03 C ATOM 0 H MET A 15 -0.099 -13.361 1.636 1.00 61.14 H new ATOM 0 HA MET A 15 -1.202 -15.508 0.021 1.00 31.22 H new ATOM 0 HB2 MET A 15 -1.205 -13.816 -1.737 1.00 62.45 H new ATOM 0 HB3 MET A 15 -1.908 -13.158 -0.273 1.00 62.45 H new ATOM 0 HG2 MET A 15 -0.225 -11.641 0.031 1.00 51.55 H new ATOM 0 HG3 MET A 15 1.015 -12.721 -0.576 1.00 51.55 H new ATOM 0 HE1 MET A 15 0.960 -12.338 -4.354 1.00 21.03 H new ATOM 0 HE2 MET A 15 2.168 -12.138 -3.063 1.00 21.03 H new ATOM 0 HE3 MET A 15 1.041 -13.515 -3.022 1.00 21.03 H new ATOM 210 N VAL A 16 1.949 -14.972 0.146 1.00 14.44 N ATOM 211 CA VAL A 16 3.256 -15.405 -0.330 1.00 65.13 C ATOM 212 C VAL A 16 3.729 -16.648 0.415 1.00 33.23 C ATOM 213 O VAL A 16 4.451 -17.478 -0.136 1.00 64.34 O ATOM 214 CB VAL A 16 4.309 -14.293 -0.170 1.00 5.43 C ATOM 215 CG1 VAL A 16 4.047 -13.163 -1.154 1.00 44.00 C ATOM 216 CG2 VAL A 16 4.321 -13.773 1.260 1.00 41.00 C ATOM 0 H VAL A 16 1.968 -14.475 1.037 1.00 14.44 H new ATOM 0 HA VAL A 16 3.144 -15.640 -1.389 1.00 65.13 H new ATOM 0 HB VAL A 16 5.291 -14.713 -0.389 1.00 5.43 H new ATOM 0 HG11 VAL A 16 4.801 -12.387 -1.026 1.00 44.00 H new ATOM 0 HG12 VAL A 16 4.093 -13.549 -2.172 1.00 44.00 H new ATOM 0 HG13 VAL A 16 3.058 -12.742 -0.970 1.00 44.00 H new ATOM 0 HG21 VAL A 16 5.071 -12.988 1.355 1.00 41.00 H new ATOM 0 HG22 VAL A 16 3.339 -13.370 1.509 1.00 41.00 H new ATOM 0 HG23 VAL A 16 4.561 -14.589 1.942 1.00 41.00 H new ATOM 226 N ARG A 17 3.315 -16.770 1.672 1.00 21.34 N ATOM 227 CA ARG A 17 3.696 -17.912 2.495 1.00 65.24 C ATOM 228 C ARG A 17 2.556 -18.922 2.585 1.00 62.11 C ATOM 229 O ARG A 17 2.767 -20.082 2.941 1.00 44.43 O ATOM 230 CB ARG A 17 4.093 -17.448 3.897 1.00 20.03 C ATOM 231 CG ARG A 17 5.248 -16.461 3.908 1.00 5.41 C ATOM 232 CD ARG A 17 6.590 -17.174 3.967 1.00 42.12 C ATOM 233 NE ARG A 17 7.708 -16.235 4.001 1.00 2.22 N ATOM 234 CZ ARG A 17 8.962 -16.593 4.256 1.00 34.45 C ATOM 235 NH1 ARG A 17 9.255 -17.864 4.498 1.00 41.41 N ATOM 236 NH2 ARG A 17 9.924 -15.681 4.270 1.00 5.50 N ATOM 0 H ARG A 17 2.716 -16.092 2.143 1.00 21.34 H new ATOM 0 HA ARG A 17 4.552 -18.397 2.025 1.00 65.24 H new ATOM 0 HB2 ARG A 17 3.229 -16.988 4.376 1.00 20.03 H new ATOM 0 HB3 ARG A 17 4.364 -18.318 4.495 1.00 20.03 H new ATOM 0 HG2 ARG A 17 5.205 -15.839 3.014 1.00 5.41 H new ATOM 0 HG3 ARG A 17 5.151 -15.795 4.765 1.00 5.41 H new ATOM 0 HD2 ARG A 17 6.624 -17.810 4.852 1.00 42.12 H new ATOM 0 HD3 ARG A 17 6.692 -17.827 3.100 1.00 42.12 H new ATOM 0 HE ARG A 17 7.516 -15.250 3.819 1.00 2.22 H new ATOM 0 HH11 ARG A 17 8.517 -18.568 4.488 1.00 41.41 H new ATOM 0 HH12 ARG A 17 10.218 -18.137 4.694 1.00 41.41 H new ATOM 0 HH21 ARG A 17 9.702 -14.703 4.085 1.00 5.50 H new ATOM 0 HH22 ARG A 17 10.886 -15.957 4.466 1.00 5.50 H new ATOM 250 N ARG A 18 1.348 -18.473 2.261 1.00 70.21 N ATOM 251 CA ARG A 18 0.174 -19.337 2.307 1.00 3.21 C ATOM 252 C ARG A 18 -0.020 -19.916 3.705 1.00 11.45 C ATOM 253 O ARG A 18 -0.109 -21.132 3.880 1.00 41.53 O ATOM 254 CB ARG A 18 0.308 -20.470 1.288 1.00 23.24 C ATOM 255 CG ARG A 18 0.399 -19.988 -0.150 1.00 60.43 C ATOM 256 CD ARG A 18 1.845 -19.818 -0.590 1.00 54.54 C ATOM 257 NE ARG A 18 2.563 -21.089 -0.614 1.00 5.40 N ATOM 258 CZ ARG A 18 3.687 -21.285 -1.295 1.00 73.03 C ATOM 259 NH1 ARG A 18 4.217 -20.298 -2.005 1.00 32.41 N ATOM 260 NH2 ARG A 18 4.282 -22.470 -1.267 1.00 65.32 N ATOM 0 H ARG A 18 1.156 -17.516 1.964 1.00 70.21 H new ATOM 0 HA ARG A 18 -0.700 -18.735 2.057 1.00 3.21 H new ATOM 0 HB2 ARG A 18 1.197 -21.055 1.523 1.00 23.24 H new ATOM 0 HB3 ARG A 18 -0.548 -21.138 1.385 1.00 23.24 H new ATOM 0 HG2 ARG A 18 -0.101 -20.701 -0.806 1.00 60.43 H new ATOM 0 HG3 ARG A 18 -0.127 -19.039 -0.251 1.00 60.43 H new ATOM 0 HD2 ARG A 18 1.871 -19.368 -1.582 1.00 54.54 H new ATOM 0 HD3 ARG A 18 2.351 -19.129 0.086 1.00 54.54 H new ATOM 0 HE ARG A 18 2.181 -21.869 -0.079 1.00 5.40 H new ATOM 0 HH11 ARG A 18 3.762 -19.386 -2.029 1.00 32.41 H new ATOM 0 HH12 ARG A 18 5.080 -20.451 -2.527 1.00 32.41 H new ATOM 0 HH21 ARG A 18 3.877 -23.231 -0.723 1.00 65.32 H new ATOM 0 HH22 ARG A 18 5.145 -22.620 -1.790 1.00 65.32 H new ATOM 274 N THR A 19 -0.085 -19.036 4.701 1.00 61.43 N ATOM 275 CA THR A 19 -0.267 -19.459 6.083 1.00 21.45 C ATOM 276 C THR A 19 -1.396 -18.683 6.752 1.00 62.22 C ATOM 277 O THR A 19 -1.987 -17.787 6.150 1.00 13.43 O ATOM 278 CB THR A 19 1.024 -19.273 6.903 1.00 43.35 C ATOM 279 OG1 THR A 19 1.178 -17.897 7.267 1.00 5.51 O ATOM 280 CG2 THR A 19 2.239 -19.732 6.110 1.00 11.21 C ATOM 0 H THR A 19 -0.014 -18.026 4.575 1.00 61.43 H new ATOM 0 HA THR A 19 -0.523 -20.518 6.057 1.00 21.45 H new ATOM 0 HB THR A 19 0.947 -19.881 7.805 1.00 43.35 H new ATOM 0 HG1 THR A 19 2.000 -17.787 7.789 1.00 5.51 H new ATOM 0 HG21 THR A 19 3.139 -19.591 6.709 1.00 11.21 H new ATOM 0 HG22 THR A 19 2.132 -20.787 5.858 1.00 11.21 H new ATOM 0 HG23 THR A 19 2.318 -19.147 5.194 1.00 11.21 H new ATOM 288 N VAL A 20 -1.690 -19.033 8.000 1.00 10.31 N ATOM 289 CA VAL A 20 -2.748 -18.367 8.751 1.00 24.14 C ATOM 290 C VAL A 20 -2.368 -18.218 10.220 1.00 2.32 C ATOM 291 O VAL A 20 -2.259 -19.206 10.947 1.00 3.31 O ATOM 292 CB VAL A 20 -4.077 -19.138 8.652 1.00 32.21 C ATOM 293 CG1 VAL A 20 -4.785 -18.816 7.345 1.00 14.31 C ATOM 294 CG2 VAL A 20 -3.836 -20.634 8.782 1.00 21.52 C ATOM 0 H VAL A 20 -1.211 -19.773 8.512 1.00 10.31 H new ATOM 0 HA VAL A 20 -2.876 -17.379 8.309 1.00 24.14 H new ATOM 0 HB VAL A 20 -4.721 -18.824 9.474 1.00 32.21 H new ATOM 0 HG11 VAL A 20 -5.722 -19.370 7.293 1.00 14.31 H new ATOM 0 HG12 VAL A 20 -4.992 -17.747 7.297 1.00 14.31 H new ATOM 0 HG13 VAL A 20 -4.149 -19.100 6.507 1.00 14.31 H new ATOM 0 HG21 VAL A 20 -4.786 -21.163 8.710 1.00 21.52 H new ATOM 0 HG22 VAL A 20 -3.174 -20.967 7.983 1.00 21.52 H new ATOM 0 HG23 VAL A 20 -3.375 -20.846 9.747 1.00 21.52 H new ATOM 304 N ILE A 21 -2.168 -16.977 10.651 1.00 51.43 N ATOM 305 CA ILE A 21 -1.802 -16.698 12.034 1.00 40.12 C ATOM 306 C ILE A 21 -2.988 -16.144 12.815 1.00 33.05 C ATOM 307 O ILE A 21 -3.488 -15.058 12.519 1.00 23.50 O ATOM 308 CB ILE A 21 -0.635 -15.697 12.116 1.00 4.34 C ATOM 309 CG1 ILE A 21 0.642 -16.320 11.548 1.00 72.20 C ATOM 310 CG2 ILE A 21 -0.418 -15.253 13.555 1.00 14.24 C ATOM 311 CD1 ILE A 21 0.720 -16.266 10.038 1.00 5.24 C ATOM 0 H ILE A 21 -2.253 -16.149 10.062 1.00 51.43 H new ATOM 0 HA ILE A 21 -1.490 -17.645 12.475 1.00 40.12 H new ATOM 0 HB ILE A 21 -0.886 -14.820 11.519 1.00 4.34 H new ATOM 0 HG12 ILE A 21 1.506 -15.804 11.967 1.00 72.20 H new ATOM 0 HG13 ILE A 21 0.704 -17.359 11.870 1.00 72.20 H new ATOM 0 HG21 ILE A 21 0.410 -14.546 13.597 1.00 14.24 H new ATOM 0 HG22 ILE A 21 -1.323 -14.774 13.928 1.00 14.24 H new ATOM 0 HG23 ILE A 21 -0.185 -16.121 14.172 1.00 14.24 H new ATOM 0 HD11 ILE A 21 1.651 -16.725 9.705 1.00 5.24 H new ATOM 0 HD12 ILE A 21 -0.124 -16.807 9.610 1.00 5.24 H new ATOM 0 HD13 ILE A 21 0.690 -15.227 9.709 1.00 5.24 H new ATOM 323 N ARG A 22 -3.434 -16.896 13.816 1.00 24.45 N ATOM 324 CA ARG A 22 -4.561 -16.480 14.642 1.00 71.51 C ATOM 325 C ARG A 22 -4.078 -15.801 15.920 1.00 42.44 C ATOM 326 O ARG A 22 -3.574 -16.457 16.831 1.00 1.43 O ATOM 327 CB ARG A 22 -5.436 -17.685 14.992 1.00 30.52 C ATOM 328 CG ARG A 22 -6.742 -17.312 15.673 1.00 35.13 C ATOM 329 CD ARG A 22 -7.144 -18.346 16.713 1.00 31.42 C ATOM 330 NE ARG A 22 -7.898 -17.752 17.813 1.00 35.04 N ATOM 331 CZ ARG A 22 -7.338 -17.064 18.802 1.00 42.14 C ATOM 332 NH1 ARG A 22 -6.024 -16.884 18.827 1.00 54.14 N ATOM 333 NH2 ARG A 22 -8.091 -16.554 19.767 1.00 13.52 N ATOM 0 H ARG A 22 -3.032 -17.797 14.075 1.00 24.45 H new ATOM 0 HA ARG A 22 -5.152 -15.763 14.071 1.00 71.51 H new ATOM 0 HB2 ARG A 22 -5.657 -18.240 14.080 1.00 30.52 H new ATOM 0 HB3 ARG A 22 -4.874 -18.354 15.644 1.00 30.52 H new ATOM 0 HG2 ARG A 22 -6.640 -16.337 16.149 1.00 35.13 H new ATOM 0 HG3 ARG A 22 -7.530 -17.221 14.926 1.00 35.13 H new ATOM 0 HD2 ARG A 22 -7.745 -19.122 16.239 1.00 31.42 H new ATOM 0 HD3 ARG A 22 -6.250 -18.831 17.106 1.00 31.42 H new ATOM 0 HE ARG A 22 -8.911 -17.872 17.823 1.00 35.04 H new ATOM 0 HH11 ARG A 22 -5.442 -17.274 18.086 1.00 54.14 H new ATOM 0 HH12 ARG A 22 -5.596 -16.355 19.587 1.00 54.14 H new ATOM 0 HH21 ARG A 22 -9.102 -16.690 19.751 1.00 13.52 H new ATOM 0 HH22 ARG A 22 -7.659 -16.026 20.526 1.00 13.52 H new ATOM 347 N SER A 23 -4.235 -14.482 15.978 1.00 43.00 N ATOM 348 CA SER A 23 -3.811 -13.712 17.142 1.00 64.53 C ATOM 349 C SER A 23 -2.354 -14.006 17.486 1.00 65.24 C ATOM 350 O SER A 23 -1.957 -13.960 18.649 1.00 11.23 O ATOM 351 CB SER A 23 -4.704 -14.030 18.343 1.00 41.25 C ATOM 352 OG SER A 23 -4.595 -13.027 19.338 1.00 33.10 O ATOM 0 H SER A 23 -4.653 -13.925 15.233 1.00 43.00 H new ATOM 0 HA SER A 23 -3.903 -12.653 16.900 1.00 64.53 H new ATOM 0 HB2 SER A 23 -5.741 -14.113 18.018 1.00 41.25 H new ATOM 0 HB3 SER A 23 -4.424 -14.996 18.763 1.00 41.25 H new ATOM 0 HG SER A 23 -3.650 -12.876 19.548 1.00 33.10 H new ATOM 358 N GLY A 24 -1.560 -14.309 16.463 1.00 61.23 N ATOM 359 CA GLY A 24 -0.156 -14.607 16.676 1.00 44.40 C ATOM 360 C GLY A 24 0.099 -16.086 16.884 1.00 34.33 C ATOM 361 O GLY A 24 1.165 -16.481 17.356 1.00 44.33 O ATOM 0 H GLY A 24 -1.865 -14.353 15.491 1.00 61.23 H new ATOM 0 HA2 GLY A 24 0.420 -14.260 15.818 1.00 44.40 H new ATOM 0 HA3 GLY A 24 0.201 -14.054 17.545 1.00 44.40 H new ATOM 365 N LYS A 25 -0.884 -16.909 16.534 1.00 13.11 N ATOM 366 CA LYS A 25 -0.764 -18.354 16.685 1.00 24.11 C ATOM 367 C LYS A 25 -1.143 -19.070 15.393 1.00 41.24 C ATOM 368 O LYS A 25 -2.322 -19.191 15.061 1.00 73.31 O ATOM 369 CB LYS A 25 -1.652 -18.844 17.831 1.00 2.32 C ATOM 370 CG LYS A 25 -1.247 -18.299 19.190 1.00 41.11 C ATOM 371 CD LYS A 25 -1.908 -16.961 19.474 1.00 53.31 C ATOM 372 CE LYS A 25 -1.689 -16.525 20.914 1.00 4.14 C ATOM 373 NZ LYS A 25 -0.244 -16.511 21.275 1.00 1.44 N ATOM 0 H LYS A 25 -1.774 -16.599 16.143 1.00 13.11 H new ATOM 0 HA LYS A 25 0.276 -18.584 16.916 1.00 24.11 H new ATOM 0 HB2 LYS A 25 -2.684 -18.559 17.627 1.00 2.32 H new ATOM 0 HB3 LYS A 25 -1.623 -19.933 17.862 1.00 2.32 H new ATOM 0 HG2 LYS A 25 -1.522 -19.013 19.966 1.00 41.11 H new ATOM 0 HG3 LYS A 25 -0.164 -18.186 19.230 1.00 41.11 H new ATOM 0 HD2 LYS A 25 -1.506 -16.205 18.799 1.00 53.31 H new ATOM 0 HD3 LYS A 25 -2.977 -17.032 19.273 1.00 53.31 H new ATOM 0 HE2 LYS A 25 -2.110 -15.530 21.060 1.00 4.14 H new ATOM 0 HE3 LYS A 25 -2.224 -17.199 21.583 1.00 4.14 H new ATOM 0 HZ1 LYS A 25 -0.122 -16.051 22.200 1.00 1.44 H new ATOM 0 HZ2 LYS A 25 0.111 -17.487 21.324 1.00 1.44 H new ATOM 0 HZ3 LYS A 25 0.289 -15.985 20.553 1.00 1.44 H new ATOM 387 N LYS A 26 -0.136 -19.544 14.667 1.00 41.43 N ATOM 388 CA LYS A 26 -0.363 -20.250 13.412 1.00 61.24 C ATOM 389 C LYS A 26 -1.172 -21.523 13.642 1.00 5.13 C ATOM 390 O LYS A 26 -0.809 -22.357 14.472 1.00 33.41 O ATOM 391 CB LYS A 26 0.972 -20.595 12.748 1.00 42.12 C ATOM 392 CG LYS A 26 0.828 -21.441 11.495 1.00 30.40 C ATOM 393 CD LYS A 26 2.180 -21.761 10.879 1.00 11.12 C ATOM 394 CE LYS A 26 2.746 -20.566 10.127 1.00 22.23 C ATOM 395 NZ LYS A 26 3.784 -20.973 9.140 1.00 21.41 N ATOM 0 H LYS A 26 0.846 -19.452 14.927 1.00 41.43 H new ATOM 0 HA LYS A 26 -0.931 -19.593 12.753 1.00 61.24 H new ATOM 0 HB2 LYS A 26 1.491 -19.671 12.494 1.00 42.12 H new ATOM 0 HB3 LYS A 26 1.598 -21.126 13.465 1.00 42.12 H new ATOM 0 HG2 LYS A 26 0.310 -22.368 11.739 1.00 30.40 H new ATOM 0 HG3 LYS A 26 0.212 -20.913 10.767 1.00 30.40 H new ATOM 0 HD2 LYS A 26 2.876 -22.062 11.662 1.00 11.12 H new ATOM 0 HD3 LYS A 26 2.080 -22.607 10.199 1.00 11.12 H new ATOM 0 HE2 LYS A 26 1.939 -20.046 9.611 1.00 22.23 H new ATOM 0 HE3 LYS A 26 3.177 -19.861 10.838 1.00 22.23 H new ATOM 0 HZ1 LYS A 26 4.145 -20.131 8.648 1.00 21.41 H new ATOM 0 HZ2 LYS A 26 4.566 -21.447 9.635 1.00 21.41 H new ATOM 0 HZ3 LYS A 26 3.367 -21.626 8.447 1.00 21.41 H new ATOM 409 N ILE A 27 -2.266 -21.665 12.903 1.00 71.24 N ATOM 410 CA ILE A 27 -3.123 -22.838 13.026 1.00 54.55 C ATOM 411 C ILE A 27 -2.532 -24.031 12.283 1.00 74.10 C ATOM 412 O ILE A 27 -1.926 -23.878 11.222 1.00 2.23 O ATOM 413 CB ILE A 27 -4.538 -22.560 12.484 1.00 52.40 C ATOM 414 CG1 ILE A 27 -5.177 -21.392 13.239 1.00 23.11 C ATOM 415 CG2 ILE A 27 -5.403 -23.806 12.596 1.00 23.54 C ATOM 416 CD1 ILE A 27 -5.428 -21.684 14.702 1.00 53.11 C ATOM 0 H ILE A 27 -2.580 -20.983 12.213 1.00 71.24 H new ATOM 0 HA ILE A 27 -3.189 -23.071 14.089 1.00 54.55 H new ATOM 0 HB ILE A 27 -4.460 -22.289 11.431 1.00 52.40 H new ATOM 0 HG12 ILE A 27 -4.530 -20.519 13.157 1.00 23.11 H new ATOM 0 HG13 ILE A 27 -6.122 -21.134 12.761 1.00 23.11 H new ATOM 0 HG21 ILE A 27 -6.399 -23.593 12.209 1.00 23.54 H new ATOM 0 HG22 ILE A 27 -4.954 -24.614 12.018 1.00 23.54 H new ATOM 0 HG23 ILE A 27 -5.476 -24.105 13.642 1.00 23.54 H new ATOM 0 HD11 ILE A 27 -5.882 -20.813 15.174 1.00 53.11 H new ATOM 0 HD12 ILE A 27 -6.100 -22.537 14.793 1.00 53.11 H new ATOM 0 HD13 ILE A 27 -4.483 -21.913 15.195 1.00 53.11 H new ATOM 428 N HIS A 28 -2.715 -25.221 12.847 1.00 62.15 N ATOM 429 CA HIS A 28 -2.202 -26.443 12.237 1.00 44.45 C ATOM 430 C HIS A 28 -3.286 -27.140 11.421 1.00 34.02 C ATOM 431 O HIS A 28 -4.468 -27.085 11.765 1.00 40.21 O ATOM 432 CB HIS A 28 -1.667 -27.389 13.312 1.00 75.32 C ATOM 433 CG HIS A 28 -2.685 -27.754 14.348 1.00 14.22 C ATOM 434 ND1 HIS A 28 -3.466 -28.888 14.270 1.00 22.05 N ATOM 435 CD2 HIS A 28 -3.048 -27.127 15.492 1.00 23.41 C ATOM 436 CE1 HIS A 28 -4.265 -28.943 15.321 1.00 52.42 C ATOM 437 NE2 HIS A 28 -4.031 -27.886 16.078 1.00 50.00 N ATOM 0 H HIS A 28 -3.214 -25.365 13.725 1.00 62.15 H new ATOM 0 HA HIS A 28 -1.387 -26.171 11.566 1.00 44.45 H new ATOM 0 HB2 HIS A 28 -1.303 -28.299 12.835 1.00 75.32 H new ATOM 0 HB3 HIS A 28 -0.813 -26.923 13.802 1.00 75.32 H new ATOM 0 HD2 HIS A 28 -2.640 -26.202 15.873 1.00 23.41 H new ATOM 0 HE1 HIS A 28 -4.987 -29.720 15.526 1.00 52.42 H new ATOM 0 HE2 HIS A 28 -4.504 -27.669 16.955 1.00 50.00 H new ATOM 445 N LEU A 29 -2.878 -27.795 10.340 1.00 40.20 N ATOM 446 CA LEU A 29 -3.815 -28.503 9.475 1.00 51.23 C ATOM 447 C LEU A 29 -3.108 -29.606 8.694 1.00 34.42 C ATOM 448 O LEU A 29 -1.881 -29.707 8.712 1.00 51.44 O ATOM 449 CB LEU A 29 -4.484 -27.525 8.506 1.00 22.54 C ATOM 450 CG LEU A 29 -3.607 -26.381 7.996 1.00 73.45 C ATOM 451 CD1 LEU A 29 -2.345 -26.926 7.346 1.00 43.55 C ATOM 452 CD2 LEU A 29 -4.382 -25.513 7.015 1.00 11.33 C ATOM 0 H LEU A 29 -1.904 -27.851 10.041 1.00 40.20 H new ATOM 0 HA LEU A 29 -4.578 -28.961 10.105 1.00 51.23 H new ATOM 0 HB2 LEU A 29 -4.848 -28.088 7.647 1.00 22.54 H new ATOM 0 HB3 LEU A 29 -5.356 -27.096 8.999 1.00 22.54 H new ATOM 0 HG LEU A 29 -3.316 -25.764 8.846 1.00 73.45 H new ATOM 0 HD11 LEU A 29 -1.733 -26.098 6.989 1.00 43.55 H new ATOM 0 HD12 LEU A 29 -1.781 -27.506 8.077 1.00 43.55 H new ATOM 0 HD13 LEU A 29 -2.616 -27.566 6.506 1.00 43.55 H new ATOM 0 HD21 LEU A 29 -3.743 -24.704 6.662 1.00 11.33 H new ATOM 0 HD22 LEU A 29 -4.702 -26.119 6.167 1.00 11.33 H new ATOM 0 HD23 LEU A 29 -5.257 -25.094 7.512 1.00 11.33 H new ATOM 464 N THR A 30 -3.891 -30.433 8.007 1.00 12.14 N ATOM 465 CA THR A 30 -3.341 -31.528 7.219 1.00 30.53 C ATOM 466 C THR A 30 -3.249 -31.153 5.745 1.00 71.12 C ATOM 467 O THR A 30 -3.540 -30.020 5.363 1.00 32.32 O ATOM 468 CB THR A 30 -4.192 -32.805 7.360 1.00 11.43 C ATOM 469 OG1 THR A 30 -3.477 -33.930 6.838 1.00 34.35 O ATOM 470 CG2 THR A 30 -5.517 -32.655 6.628 1.00 12.02 C ATOM 0 H THR A 30 -4.908 -30.364 7.981 1.00 12.14 H new ATOM 0 HA THR A 30 -2.340 -31.723 7.605 1.00 30.53 H new ATOM 0 HB THR A 30 -4.396 -32.965 8.419 1.00 11.43 H new ATOM 0 HG1 THR A 30 -3.931 -34.262 6.036 1.00 34.35 H new ATOM 0 HG21 THR A 30 -6.101 -33.568 6.741 1.00 12.02 H new ATOM 0 HG22 THR A 30 -6.071 -31.816 7.048 1.00 12.02 H new ATOM 0 HG23 THR A 30 -5.329 -32.473 5.570 1.00 12.02 H new ATOM 478 N GLY A 31 -2.843 -32.112 4.919 1.00 64.44 N ATOM 479 CA GLY A 31 -2.720 -31.862 3.494 1.00 33.24 C ATOM 480 C GLY A 31 -4.018 -31.381 2.877 1.00 72.14 C ATOM 481 O GLY A 31 -4.051 -30.347 2.209 1.00 34.10 O ATOM 0 H GLY A 31 -2.597 -33.058 5.211 1.00 64.44 H new ATOM 0 HA2 GLY A 31 -1.942 -31.117 3.324 1.00 33.24 H new ATOM 0 HA3 GLY A 31 -2.400 -32.776 2.994 1.00 33.24 H new ATOM 485 N LYS A 32 -5.091 -32.133 3.097 1.00 31.14 N ATOM 486 CA LYS A 32 -6.399 -31.779 2.558 1.00 45.03 C ATOM 487 C LYS A 32 -6.860 -30.427 3.093 1.00 70.22 C ATOM 488 O LYS A 32 -7.225 -29.538 2.325 1.00 43.23 O ATOM 489 CB LYS A 32 -7.427 -32.857 2.909 1.00 41.52 C ATOM 490 CG LYS A 32 -8.213 -33.360 1.711 1.00 73.11 C ATOM 491 CD LYS A 32 -7.467 -34.462 0.977 1.00 12.03 C ATOM 492 CE LYS A 32 -7.992 -35.838 1.356 1.00 20.34 C ATOM 493 NZ LYS A 32 -9.390 -36.047 0.889 1.00 72.04 N ATOM 0 H LYS A 32 -5.080 -32.993 3.646 1.00 31.14 H new ATOM 0 HA LYS A 32 -6.311 -31.710 1.474 1.00 45.03 H new ATOM 0 HB2 LYS A 32 -6.914 -33.698 3.376 1.00 41.52 H new ATOM 0 HB3 LYS A 32 -8.122 -32.458 3.648 1.00 41.52 H new ATOM 0 HG2 LYS A 32 -9.182 -33.733 2.041 1.00 73.11 H new ATOM 0 HG3 LYS A 32 -8.406 -32.533 1.028 1.00 73.11 H new ATOM 0 HD2 LYS A 32 -7.567 -34.317 -0.099 1.00 12.03 H new ATOM 0 HD3 LYS A 32 -6.404 -34.400 1.209 1.00 12.03 H new ATOM 0 HE2 LYS A 32 -7.347 -36.604 0.925 1.00 20.34 H new ATOM 0 HE3 LYS A 32 -7.949 -35.957 2.439 1.00 20.34 H new ATOM 0 HZ1 LYS A 32 -9.569 -37.065 0.773 1.00 72.04 H new ATOM 0 HZ2 LYS A 32 -10.052 -35.657 1.590 1.00 72.04 H new ATOM 0 HZ3 LYS A 32 -9.527 -35.565 -0.023 1.00 72.04 H new ATOM 507 N GLU A 33 -6.840 -30.280 4.414 1.00 61.51 N ATOM 508 CA GLU A 33 -7.256 -29.036 5.050 1.00 31.10 C ATOM 509 C GLU A 33 -6.457 -27.854 4.509 1.00 64.44 C ATOM 510 O GLU A 33 -7.007 -26.782 4.258 1.00 45.34 O ATOM 511 CB GLU A 33 -7.083 -29.130 6.567 1.00 33.44 C ATOM 512 CG GLU A 33 -7.998 -30.152 7.222 1.00 52.11 C ATOM 513 CD GLU A 33 -7.781 -30.255 8.719 1.00 13.31 C ATOM 514 OE1 GLU A 33 -7.046 -29.409 9.271 1.00 72.11 O ATOM 515 OE2 GLU A 33 -8.346 -31.180 9.339 1.00 63.22 O ATOM 0 H GLU A 33 -6.540 -31.007 5.064 1.00 61.51 H new ATOM 0 HA GLU A 33 -8.309 -28.876 4.821 1.00 31.10 H new ATOM 0 HB2 GLU A 33 -6.047 -29.386 6.791 1.00 33.44 H new ATOM 0 HB3 GLU A 33 -7.272 -28.151 7.007 1.00 33.44 H new ATOM 0 HG2 GLU A 33 -9.036 -29.882 7.027 1.00 52.11 H new ATOM 0 HG3 GLU A 33 -7.831 -31.128 6.767 1.00 52.11 H new ATOM 522 N TYR A 34 -5.156 -28.059 4.332 1.00 71.12 N ATOM 523 CA TYR A 34 -4.280 -27.011 3.823 1.00 4.23 C ATOM 524 C TYR A 34 -4.661 -26.626 2.397 1.00 62.10 C ATOM 525 O TYR A 34 -4.552 -25.464 2.004 1.00 21.45 O ATOM 526 CB TYR A 34 -2.821 -27.470 3.867 1.00 33.50 C ATOM 527 CG TYR A 34 -1.841 -26.420 3.397 1.00 1.32 C ATOM 528 CD1 TYR A 34 -1.708 -25.213 4.073 1.00 31.21 C ATOM 529 CD2 TYR A 34 -1.046 -26.634 2.278 1.00 73.25 C ATOM 530 CE1 TYR A 34 -0.814 -24.250 3.647 1.00 72.23 C ATOM 531 CE2 TYR A 34 -0.149 -25.677 1.845 1.00 64.41 C ATOM 532 CZ TYR A 34 -0.037 -24.487 2.532 1.00 25.04 C ATOM 533 OH TYR A 34 0.856 -23.531 2.105 1.00 2.24 O ATOM 0 H TYR A 34 -4.685 -28.941 4.534 1.00 71.12 H new ATOM 0 HA TYR A 34 -4.398 -26.134 4.460 1.00 4.23 H new ATOM 0 HB2 TYR A 34 -2.570 -27.758 4.888 1.00 33.50 H new ATOM 0 HB3 TYR A 34 -2.710 -28.361 3.249 1.00 33.50 H new ATOM 0 HD1 TYR A 34 -2.314 -25.025 4.947 1.00 31.21 H new ATOM 0 HD2 TYR A 34 -1.131 -27.565 1.737 1.00 73.25 H new ATOM 0 HE1 TYR A 34 -0.724 -23.317 4.184 1.00 72.23 H new ATOM 0 HE2 TYR A 34 0.461 -25.860 0.973 1.00 64.41 H new ATOM 0 HH TYR A 34 0.545 -23.147 1.259 1.00 2.24 H new ATOM 543 N VAL A 35 -5.109 -27.611 1.625 1.00 33.22 N ATOM 544 CA VAL A 35 -5.509 -27.378 0.243 1.00 50.43 C ATOM 545 C VAL A 35 -6.803 -26.574 0.173 1.00 44.11 C ATOM 546 O VAL A 35 -6.978 -25.734 -0.711 1.00 71.42 O ATOM 547 CB VAL A 35 -5.699 -28.703 -0.518 1.00 75.31 C ATOM 548 CG1 VAL A 35 -6.667 -28.520 -1.677 1.00 52.31 C ATOM 549 CG2 VAL A 35 -4.360 -29.232 -1.009 1.00 75.24 C ATOM 0 H VAL A 35 -5.204 -28.578 1.934 1.00 33.22 H new ATOM 0 HA VAL A 35 -4.706 -26.810 -0.227 1.00 50.43 H new ATOM 0 HB VAL A 35 -6.125 -29.437 0.166 1.00 75.31 H new ATOM 0 HG11 VAL A 35 -6.788 -29.467 -2.203 1.00 52.31 H new ATOM 0 HG12 VAL A 35 -7.633 -28.190 -1.295 1.00 52.31 H new ATOM 0 HG13 VAL A 35 -6.274 -27.771 -2.365 1.00 52.31 H new ATOM 0 HG21 VAL A 35 -4.513 -30.169 -1.545 1.00 75.24 H new ATOM 0 HG22 VAL A 35 -3.904 -28.502 -1.678 1.00 75.24 H new ATOM 0 HG23 VAL A 35 -3.702 -29.404 -0.157 1.00 75.24 H new ATOM 559 N LEU A 36 -7.706 -26.836 1.111 1.00 54.33 N ATOM 560 CA LEU A 36 -8.986 -26.136 1.157 1.00 63.11 C ATOM 561 C LEU A 36 -8.785 -24.654 1.455 1.00 51.44 C ATOM 562 O LEU A 36 -9.388 -23.793 0.812 1.00 71.13 O ATOM 563 CB LEU A 36 -9.894 -26.762 2.216 1.00 21.45 C ATOM 564 CG LEU A 36 -10.860 -27.839 1.721 1.00 24.50 C ATOM 565 CD1 LEU A 36 -11.983 -27.216 0.908 1.00 52.21 C ATOM 566 CD2 LEU A 36 -10.118 -28.883 0.898 1.00 52.55 C ATOM 0 H LEU A 36 -7.576 -27.527 1.850 1.00 54.33 H new ATOM 0 HA LEU A 36 -9.459 -26.231 0.180 1.00 63.11 H new ATOM 0 HB2 LEU A 36 -9.266 -27.196 2.994 1.00 21.45 H new ATOM 0 HB3 LEU A 36 -10.476 -25.967 2.683 1.00 21.45 H new ATOM 0 HG LEU A 36 -11.299 -28.333 2.588 1.00 24.50 H new ATOM 0 HD11 LEU A 36 -12.660 -27.998 0.564 1.00 52.21 H new ATOM 0 HD12 LEU A 36 -12.532 -26.508 1.529 1.00 52.21 H new ATOM 0 HD13 LEU A 36 -11.563 -26.695 0.047 1.00 52.21 H new ATOM 0 HD21 LEU A 36 -10.821 -29.642 0.554 1.00 52.55 H new ATOM 0 HD22 LEU A 36 -9.651 -28.404 0.037 1.00 52.55 H new ATOM 0 HD23 LEU A 36 -9.350 -29.352 1.513 1.00 52.55 H new ATOM 578 N LEU A 37 -7.933 -24.362 2.431 1.00 12.31 N ATOM 579 CA LEU A 37 -7.651 -22.982 2.813 1.00 24.40 C ATOM 580 C LEU A 37 -6.684 -22.332 1.829 1.00 51.15 C ATOM 581 O LEU A 37 -6.738 -21.125 1.598 1.00 52.55 O ATOM 582 CB LEU A 37 -7.067 -22.933 4.226 1.00 31.12 C ATOM 583 CG LEU A 37 -8.080 -22.844 5.368 1.00 53.10 C ATOM 584 CD1 LEU A 37 -8.831 -21.522 5.313 1.00 31.53 C ATOM 585 CD2 LEU A 37 -9.051 -24.014 5.312 1.00 75.02 C ATOM 0 H LEU A 37 -7.425 -25.062 2.972 1.00 12.31 H new ATOM 0 HA LEU A 37 -8.589 -22.427 2.794 1.00 24.40 H new ATOM 0 HB2 LEU A 37 -6.457 -23.824 4.377 1.00 31.12 H new ATOM 0 HB3 LEU A 37 -6.399 -22.074 4.292 1.00 31.12 H new ATOM 0 HG LEU A 37 -7.539 -22.892 6.313 1.00 53.10 H new ATOM 0 HD11 LEU A 37 -9.548 -21.476 6.133 1.00 31.53 H new ATOM 0 HD12 LEU A 37 -8.124 -20.698 5.403 1.00 31.53 H new ATOM 0 HD13 LEU A 37 -9.361 -21.444 4.364 1.00 31.53 H new ATOM 0 HD21 LEU A 37 -9.765 -23.934 6.132 1.00 75.02 H new ATOM 0 HD22 LEU A 37 -9.586 -23.998 4.363 1.00 75.02 H new ATOM 0 HD23 LEU A 37 -8.499 -24.950 5.401 1.00 75.02 H new ATOM 597 N GLU A 38 -5.802 -23.141 1.250 1.00 33.52 N ATOM 598 CA GLU A 38 -4.825 -22.644 0.289 1.00 1.23 C ATOM 599 C GLU A 38 -5.513 -21.888 -0.844 1.00 65.34 C ATOM 600 O GLU A 38 -5.158 -20.749 -1.151 1.00 72.22 O ATOM 601 CB GLU A 38 -4.002 -23.801 -0.280 1.00 65.00 C ATOM 602 CG GLU A 38 -2.654 -23.981 0.398 1.00 2.53 C ATOM 603 CD GLU A 38 -1.490 -23.689 -0.530 1.00 33.34 C ATOM 604 OE1 GLU A 38 -1.467 -24.251 -1.645 1.00 51.41 O ATOM 605 OE2 GLU A 38 -0.603 -22.901 -0.141 1.00 35.13 O ATOM 0 H GLU A 38 -5.744 -24.143 1.430 1.00 33.52 H new ATOM 0 HA GLU A 38 -4.159 -21.956 0.809 1.00 1.23 H new ATOM 0 HB2 GLU A 38 -4.574 -24.724 -0.184 1.00 65.00 H new ATOM 0 HB3 GLU A 38 -3.844 -23.634 -1.345 1.00 65.00 H new ATOM 0 HG2 GLU A 38 -2.597 -23.323 1.265 1.00 2.53 H new ATOM 0 HG3 GLU A 38 -2.571 -25.003 0.768 1.00 2.53 H new ATOM 612 N LEU A 39 -6.497 -22.531 -1.463 1.00 41.55 N ATOM 613 CA LEU A 39 -7.235 -21.921 -2.564 1.00 40.31 C ATOM 614 C LEU A 39 -8.268 -20.927 -2.043 1.00 4.44 C ATOM 615 O LEU A 39 -8.463 -19.857 -2.621 1.00 52.03 O ATOM 616 CB LEU A 39 -7.926 -22.999 -3.401 1.00 24.24 C ATOM 617 CG LEU A 39 -7.701 -22.924 -4.911 1.00 43.31 C ATOM 618 CD1 LEU A 39 -8.330 -21.662 -5.482 1.00 65.20 C ATOM 619 CD2 LEU A 39 -6.214 -22.973 -5.232 1.00 71.11 C ATOM 0 H LEU A 39 -6.802 -23.474 -1.222 1.00 41.55 H new ATOM 0 HA LEU A 39 -6.524 -21.383 -3.191 1.00 40.31 H new ATOM 0 HB2 LEU A 39 -7.587 -23.974 -3.052 1.00 24.24 H new ATOM 0 HB3 LEU A 39 -8.998 -22.947 -3.211 1.00 24.24 H new ATOM 0 HG LEU A 39 -8.181 -23.786 -5.374 1.00 43.31 H new ATOM 0 HD11 LEU A 39 -8.160 -21.625 -6.558 1.00 65.20 H new ATOM 0 HD12 LEU A 39 -9.402 -21.668 -5.284 1.00 65.20 H new ATOM 0 HD13 LEU A 39 -7.880 -20.787 -5.014 1.00 65.20 H new ATOM 0 HD21 LEU A 39 -6.073 -22.919 -6.311 1.00 71.11 H new ATOM 0 HD22 LEU A 39 -5.711 -22.130 -4.757 1.00 71.11 H new ATOM 0 HD23 LEU A 39 -5.791 -23.905 -4.857 1.00 71.11 H new ATOM 631 N LEU A 40 -8.925 -21.285 -0.945 1.00 64.31 N ATOM 632 CA LEU A 40 -9.936 -20.424 -0.343 1.00 53.31 C ATOM 633 C LEU A 40 -9.362 -19.045 -0.031 1.00 73.44 C ATOM 634 O LEU A 40 -9.950 -18.022 -0.384 1.00 11.11 O ATOM 635 CB LEU A 40 -10.483 -21.062 0.935 1.00 30.10 C ATOM 636 CG LEU A 40 -11.602 -20.296 1.642 1.00 22.32 C ATOM 637 CD1 LEU A 40 -12.673 -19.878 0.648 1.00 55.33 C ATOM 638 CD2 LEU A 40 -12.205 -21.141 2.755 1.00 10.43 C ATOM 0 H LEU A 40 -8.775 -22.166 -0.454 1.00 64.31 H new ATOM 0 HA LEU A 40 -10.749 -20.305 -1.059 1.00 53.31 H new ATOM 0 HB2 LEU A 40 -10.850 -22.059 0.691 1.00 30.10 H new ATOM 0 HB3 LEU A 40 -9.658 -21.189 1.636 1.00 30.10 H new ATOM 0 HG LEU A 40 -11.177 -19.396 2.086 1.00 22.32 H new ATOM 0 HD11 LEU A 40 -13.461 -19.334 1.169 1.00 55.33 H new ATOM 0 HD12 LEU A 40 -12.232 -19.235 -0.114 1.00 55.33 H new ATOM 0 HD13 LEU A 40 -13.096 -20.764 0.175 1.00 55.33 H new ATOM 0 HD21 LEU A 40 -13.000 -20.581 3.248 1.00 10.43 H new ATOM 0 HD22 LEU A 40 -12.616 -22.059 2.333 1.00 10.43 H new ATOM 0 HD23 LEU A 40 -11.432 -21.390 3.482 1.00 10.43 H new ATOM 650 N LEU A 41 -8.210 -19.026 0.629 1.00 11.14 N ATOM 651 CA LEU A 41 -7.554 -17.773 0.987 1.00 52.21 C ATOM 652 C LEU A 41 -6.924 -17.119 -0.239 1.00 23.24 C ATOM 653 O LEU A 41 -6.937 -15.896 -0.377 1.00 32.50 O ATOM 654 CB LEU A 41 -6.486 -18.020 2.054 1.00 51.43 C ATOM 655 CG LEU A 41 -5.179 -18.644 1.563 1.00 11.32 C ATOM 656 CD1 LEU A 41 -4.196 -17.562 1.143 1.00 21.30 C ATOM 657 CD2 LEU A 41 -4.573 -19.528 2.643 1.00 65.55 C ATOM 0 H LEU A 41 -7.710 -19.864 0.927 1.00 11.14 H new ATOM 0 HA LEU A 41 -8.309 -17.097 1.388 1.00 52.21 H new ATOM 0 HB2 LEU A 41 -6.254 -17.069 2.534 1.00 51.43 H new ATOM 0 HB3 LEU A 41 -6.910 -18.669 2.820 1.00 51.43 H new ATOM 0 HG LEU A 41 -5.398 -19.264 0.694 1.00 11.32 H new ATOM 0 HD11 LEU A 41 -3.272 -18.025 0.797 1.00 21.30 H new ATOM 0 HD12 LEU A 41 -4.629 -16.969 0.337 1.00 21.30 H new ATOM 0 HD13 LEU A 41 -3.981 -16.915 1.994 1.00 21.30 H new ATOM 0 HD21 LEU A 41 -3.644 -19.964 2.277 1.00 65.55 H new ATOM 0 HD22 LEU A 41 -4.368 -18.929 3.531 1.00 65.55 H new ATOM 0 HD23 LEU A 41 -5.273 -20.325 2.896 1.00 65.55 H new ATOM 669 N GLN A 42 -6.374 -17.943 -1.125 1.00 53.13 N ATOM 670 CA GLN A 42 -5.740 -17.444 -2.340 1.00 74.20 C ATOM 671 C GLN A 42 -6.751 -16.719 -3.223 1.00 63.42 C ATOM 672 O GLN A 42 -6.423 -15.725 -3.871 1.00 22.12 O ATOM 673 CB GLN A 42 -5.100 -18.596 -3.117 1.00 35.35 C ATOM 674 CG GLN A 42 -4.426 -18.160 -4.407 1.00 1.30 C ATOM 675 CD GLN A 42 -3.899 -19.329 -5.215 1.00 23.34 C ATOM 676 OE1 GLN A 42 -4.307 -19.545 -6.356 1.00 14.00 O ATOM 677 NE2 GLN A 42 -2.986 -20.092 -4.625 1.00 65.33 N ATOM 0 H GLN A 42 -6.354 -18.958 -1.025 1.00 53.13 H new ATOM 0 HA GLN A 42 -4.964 -16.736 -2.050 1.00 74.20 H new ATOM 0 HB2 GLN A 42 -4.364 -19.088 -2.481 1.00 35.35 H new ATOM 0 HB3 GLN A 42 -5.866 -19.336 -3.349 1.00 35.35 H new ATOM 0 HG2 GLN A 42 -5.137 -17.597 -5.011 1.00 1.30 H new ATOM 0 HG3 GLN A 42 -3.603 -17.485 -4.172 1.00 1.30 H new ATOM 0 HE21 GLN A 42 -2.676 -19.876 -3.677 1.00 65.33 H new ATOM 0 HE22 GLN A 42 -2.595 -20.894 -5.119 1.00 65.33 H new ATOM 686 N ARG A 43 -7.980 -17.224 -3.245 1.00 21.24 N ATOM 687 CA ARG A 43 -9.038 -16.626 -4.050 1.00 3.43 C ATOM 688 C ARG A 43 -10.048 -15.900 -3.167 1.00 14.35 C ATOM 689 O ARG A 43 -11.196 -15.690 -3.560 1.00 53.13 O ATOM 690 CB ARG A 43 -9.746 -17.699 -4.878 1.00 54.33 C ATOM 691 CG ARG A 43 -8.813 -18.480 -5.789 1.00 14.00 C ATOM 692 CD ARG A 43 -8.015 -17.555 -6.694 1.00 62.10 C ATOM 693 NE ARG A 43 -8.874 -16.811 -7.611 1.00 1.41 N ATOM 694 CZ ARG A 43 -8.413 -16.081 -8.621 1.00 11.23 C ATOM 695 NH1 ARG A 43 -7.108 -15.998 -8.842 1.00 75.31 N ATOM 696 NH2 ARG A 43 -9.258 -15.432 -9.412 1.00 31.03 N ATOM 0 H ARG A 43 -8.268 -18.046 -2.714 1.00 21.24 H new ATOM 0 HA ARG A 43 -8.582 -15.900 -4.723 1.00 3.43 H new ATOM 0 HB2 ARG A 43 -10.248 -18.394 -4.204 1.00 54.33 H new ATOM 0 HB3 ARG A 43 -10.520 -17.227 -5.483 1.00 54.33 H new ATOM 0 HG2 ARG A 43 -8.130 -19.078 -5.186 1.00 14.00 H new ATOM 0 HG3 ARG A 43 -9.393 -19.174 -6.397 1.00 14.00 H new ATOM 0 HD2 ARG A 43 -7.444 -16.855 -6.084 1.00 62.10 H new ATOM 0 HD3 ARG A 43 -7.295 -18.140 -7.266 1.00 62.10 H new ATOM 0 HE ARG A 43 -9.883 -16.854 -7.468 1.00 1.41 H new ATOM 0 HH11 ARG A 43 -6.455 -16.495 -8.236 1.00 75.31 H new ATOM 0 HH12 ARG A 43 -6.757 -15.437 -9.618 1.00 75.31 H new ATOM 0 HH21 ARG A 43 -10.262 -15.493 -9.245 1.00 31.03 H new ATOM 0 HH22 ARG A 43 -8.903 -14.872 -10.187 1.00 31.03 H new ATOM 710 N THR A 44 -9.614 -15.518 -1.969 1.00 72.42 N ATOM 711 CA THR A 44 -10.480 -14.818 -1.030 1.00 13.15 C ATOM 712 C THR A 44 -11.190 -13.648 -1.702 1.00 64.34 C ATOM 713 O THR A 44 -10.563 -12.841 -2.387 1.00 52.32 O ATOM 714 CB THR A 44 -9.687 -14.294 0.182 1.00 10.04 C ATOM 715 OG1 THR A 44 -10.582 -13.729 1.147 1.00 51.13 O ATOM 716 CG2 THR A 44 -8.670 -13.247 -0.248 1.00 34.32 C ATOM 0 H THR A 44 -8.667 -15.682 -1.627 1.00 72.42 H new ATOM 0 HA THR A 44 -11.221 -15.540 -0.686 1.00 13.15 H new ATOM 0 HB THR A 44 -9.154 -15.133 0.629 1.00 10.04 H new ATOM 0 HG1 THR A 44 -10.281 -13.964 2.049 1.00 51.13 H new ATOM 0 HG21 THR A 44 -8.122 -12.892 0.625 1.00 34.32 H new ATOM 0 HG22 THR A 44 -7.972 -13.688 -0.959 1.00 34.32 H new ATOM 0 HG23 THR A 44 -9.186 -12.410 -0.718 1.00 34.32 H new ATOM 724 N GLY A 45 -12.501 -13.563 -1.502 1.00 53.11 N ATOM 725 CA GLY A 45 -13.274 -12.488 -2.096 1.00 40.31 C ATOM 726 C GLY A 45 -14.208 -12.978 -3.185 1.00 1.32 C ATOM 727 O GLY A 45 -15.166 -12.294 -3.543 1.00 41.31 O ATOM 0 H GLY A 45 -13.042 -14.219 -0.939 1.00 53.11 H new ATOM 0 HA2 GLY A 45 -13.855 -11.991 -1.320 1.00 40.31 H new ATOM 0 HA3 GLY A 45 -12.595 -11.743 -2.512 1.00 40.31 H new ATOM 731 N GLU A 46 -13.927 -14.165 -3.713 1.00 53.00 N ATOM 732 CA GLU A 46 -14.749 -14.744 -4.769 1.00 51.34 C ATOM 733 C GLU A 46 -15.049 -16.212 -4.483 1.00 22.33 C ATOM 734 O GLU A 46 -14.228 -16.923 -3.903 1.00 62.52 O ATOM 735 CB GLU A 46 -14.048 -14.610 -6.123 1.00 0.22 C ATOM 736 CG GLU A 46 -12.616 -15.119 -6.120 1.00 13.34 C ATOM 737 CD GLU A 46 -12.053 -15.284 -7.518 1.00 4.24 C ATOM 738 OE1 GLU A 46 -11.466 -14.312 -8.039 1.00 12.13 O ATOM 739 OE2 GLU A 46 -12.198 -16.384 -8.090 1.00 41.34 O ATOM 0 H GLU A 46 -13.137 -14.744 -3.427 1.00 53.00 H new ATOM 0 HA GLU A 46 -15.692 -14.198 -4.800 1.00 51.34 H new ATOM 0 HB2 GLU A 46 -14.618 -15.158 -6.873 1.00 0.22 H new ATOM 0 HB3 GLU A 46 -14.052 -13.562 -6.422 1.00 0.22 H new ATOM 0 HG2 GLU A 46 -11.989 -14.426 -5.559 1.00 13.34 H new ATOM 0 HG3 GLU A 46 -12.576 -16.077 -5.601 1.00 13.34 H new ATOM 746 N VAL A 47 -16.232 -16.660 -4.892 1.00 44.33 N ATOM 747 CA VAL A 47 -16.641 -18.043 -4.681 1.00 21.04 C ATOM 748 C VAL A 47 -16.055 -18.959 -5.749 1.00 71.12 C ATOM 749 O VAL A 47 -16.163 -18.685 -6.945 1.00 52.31 O ATOM 750 CB VAL A 47 -18.175 -18.182 -4.686 1.00 1.42 C ATOM 751 CG1 VAL A 47 -18.587 -19.573 -4.231 1.00 60.40 C ATOM 752 CG2 VAL A 47 -18.809 -17.115 -3.806 1.00 3.30 C ATOM 0 H VAL A 47 -16.924 -16.084 -5.372 1.00 44.33 H new ATOM 0 HA VAL A 47 -16.260 -18.340 -3.704 1.00 21.04 H new ATOM 0 HB VAL A 47 -18.532 -18.039 -5.706 1.00 1.42 H new ATOM 0 HG11 VAL A 47 -19.674 -19.652 -4.241 1.00 60.40 H new ATOM 0 HG12 VAL A 47 -18.163 -20.317 -4.905 1.00 60.40 H new ATOM 0 HG13 VAL A 47 -18.220 -19.749 -3.220 1.00 60.40 H new ATOM 0 HG21 VAL A 47 -19.893 -17.228 -3.821 1.00 3.30 H new ATOM 0 HG22 VAL A 47 -18.447 -17.224 -2.784 1.00 3.30 H new ATOM 0 HG23 VAL A 47 -18.542 -16.127 -4.182 1.00 3.30 H new ATOM 762 N LEU A 48 -15.435 -20.049 -5.311 1.00 1.01 N ATOM 763 CA LEU A 48 -14.832 -21.008 -6.230 1.00 44.20 C ATOM 764 C LEU A 48 -15.638 -22.302 -6.273 1.00 43.05 C ATOM 765 O LEU A 48 -16.334 -22.660 -5.324 1.00 32.54 O ATOM 766 CB LEU A 48 -13.390 -21.305 -5.814 1.00 21.30 C ATOM 767 CG LEU A 48 -12.698 -20.231 -4.975 1.00 12.53 C ATOM 768 CD1 LEU A 48 -11.342 -20.721 -4.493 1.00 5.52 C ATOM 769 CD2 LEU A 48 -12.550 -18.944 -5.773 1.00 43.33 C ATOM 0 H LEU A 48 -15.337 -20.291 -4.325 1.00 1.01 H new ATOM 0 HA LEU A 48 -14.833 -20.568 -7.227 1.00 44.20 H new ATOM 0 HB2 LEU A 48 -13.380 -22.239 -5.252 1.00 21.30 H new ATOM 0 HB3 LEU A 48 -12.800 -21.470 -6.715 1.00 21.30 H new ATOM 0 HG LEU A 48 -13.317 -20.024 -4.102 1.00 12.53 H new ATOM 0 HD11 LEU A 48 -10.865 -19.943 -3.898 1.00 5.52 H new ATOM 0 HD12 LEU A 48 -11.474 -21.615 -3.883 1.00 5.52 H new ATOM 0 HD13 LEU A 48 -10.714 -20.957 -5.352 1.00 5.52 H new ATOM 0 HD21 LEU A 48 -12.055 -18.191 -5.160 1.00 43.33 H new ATOM 0 HD22 LEU A 48 -11.953 -19.135 -6.665 1.00 43.33 H new ATOM 0 HD23 LEU A 48 -13.536 -18.583 -6.067 1.00 43.33 H new ATOM 781 N PRO A 49 -15.541 -23.022 -7.401 1.00 21.22 N ATOM 782 CA PRO A 49 -16.252 -24.289 -7.594 1.00 71.42 C ATOM 783 C PRO A 49 -15.696 -25.406 -6.717 1.00 50.10 C ATOM 784 O PRO A 49 -14.543 -25.355 -6.287 1.00 54.15 O ATOM 785 CB PRO A 49 -16.019 -24.605 -9.074 1.00 25.13 C ATOM 786 CG PRO A 49 -14.751 -23.901 -9.416 1.00 12.42 C ATOM 787 CD PRO A 49 -14.729 -22.655 -8.573 1.00 73.24 C ATOM 0 HA PRO A 49 -17.304 -24.211 -7.321 1.00 71.42 H new ATOM 0 HB2 PRO A 49 -15.933 -25.679 -9.241 1.00 25.13 H new ATOM 0 HB3 PRO A 49 -16.846 -24.252 -9.689 1.00 25.13 H new ATOM 0 HG2 PRO A 49 -13.886 -24.530 -9.205 1.00 12.42 H new ATOM 0 HG3 PRO A 49 -14.715 -23.655 -10.477 1.00 12.42 H new ATOM 0 HD2 PRO A 49 -13.713 -22.380 -8.288 1.00 73.24 H new ATOM 0 HD3 PRO A 49 -15.152 -21.803 -9.104 1.00 73.24 H new ATOM 795 N ARG A 50 -16.522 -26.414 -6.455 1.00 51.53 N ATOM 796 CA ARG A 50 -16.112 -27.542 -5.628 1.00 74.35 C ATOM 797 C ARG A 50 -15.248 -28.515 -6.426 1.00 12.23 C ATOM 798 O ARG A 50 -14.240 -29.016 -5.928 1.00 72.52 O ATOM 799 CB ARG A 50 -17.340 -28.269 -5.076 1.00 21.21 C ATOM 800 CG ARG A 50 -16.998 -29.484 -4.228 1.00 51.34 C ATOM 801 CD ARG A 50 -17.970 -30.627 -4.475 1.00 53.33 C ATOM 802 NE ARG A 50 -17.994 -31.032 -5.878 1.00 42.12 N ATOM 803 CZ ARG A 50 -16.999 -31.682 -6.472 1.00 34.50 C ATOM 804 NH1 ARG A 50 -15.909 -32.000 -5.788 1.00 61.21 N ATOM 805 NH2 ARG A 50 -17.095 -32.017 -7.752 1.00 60.05 N ATOM 0 H ARG A 50 -17.479 -26.472 -6.804 1.00 51.53 H new ATOM 0 HA ARG A 50 -15.522 -27.156 -4.797 1.00 74.35 H new ATOM 0 HB2 ARG A 50 -17.926 -27.572 -4.477 1.00 21.21 H new ATOM 0 HB3 ARG A 50 -17.971 -28.583 -5.908 1.00 21.21 H new ATOM 0 HG2 ARG A 50 -15.983 -29.813 -4.453 1.00 51.34 H new ATOM 0 HG3 ARG A 50 -17.017 -29.210 -3.173 1.00 51.34 H new ATOM 0 HD2 ARG A 50 -17.691 -31.480 -3.856 1.00 53.33 H new ATOM 0 HD3 ARG A 50 -18.971 -30.324 -4.168 1.00 53.33 H new ATOM 0 HE ARG A 50 -18.819 -30.803 -6.432 1.00 42.12 H new ATOM 0 HH11 ARG A 50 -15.833 -31.746 -4.803 1.00 61.21 H new ATOM 0 HH12 ARG A 50 -15.147 -32.499 -6.246 1.00 61.21 H new ATOM 0 HH21 ARG A 50 -17.933 -31.776 -8.281 1.00 60.05 H new ATOM 0 HH22 ARG A 50 -16.331 -32.516 -8.207 1.00 60.05 H new ATOM 819 N SER A 51 -15.650 -28.777 -7.665 1.00 54.42 N ATOM 820 CA SER A 51 -14.916 -29.692 -8.530 1.00 65.30 C ATOM 821 C SER A 51 -13.436 -29.323 -8.580 1.00 11.11 C ATOM 822 O SER A 51 -12.567 -30.195 -8.610 1.00 21.22 O ATOM 823 CB SER A 51 -15.504 -29.677 -9.942 1.00 35.31 C ATOM 824 OG SER A 51 -15.558 -28.359 -10.458 1.00 53.41 O ATOM 0 H SER A 51 -16.481 -28.368 -8.093 1.00 54.42 H new ATOM 0 HA SER A 51 -15.009 -30.696 -8.116 1.00 65.30 H new ATOM 0 HB2 SER A 51 -14.899 -30.303 -10.598 1.00 35.31 H new ATOM 0 HB3 SER A 51 -16.506 -30.106 -9.927 1.00 35.31 H new ATOM 0 HG SER A 51 -15.936 -28.377 -11.362 1.00 53.41 H new ATOM 830 N LEU A 52 -13.157 -28.024 -8.589 1.00 33.12 N ATOM 831 CA LEU A 52 -11.783 -27.537 -8.635 1.00 40.10 C ATOM 832 C LEU A 52 -11.033 -27.900 -7.357 1.00 53.22 C ATOM 833 O LEU A 52 -9.914 -28.411 -7.407 1.00 32.24 O ATOM 834 CB LEU A 52 -11.765 -26.021 -8.837 1.00 51.22 C ATOM 835 CG LEU A 52 -10.384 -25.377 -8.964 1.00 50.21 C ATOM 836 CD1 LEU A 52 -9.584 -26.042 -10.073 1.00 75.53 C ATOM 837 CD2 LEU A 52 -10.514 -23.882 -9.221 1.00 21.53 C ATOM 0 H LEU A 52 -13.864 -27.289 -8.565 1.00 33.12 H new ATOM 0 HA LEU A 52 -11.282 -28.016 -9.477 1.00 40.10 H new ATOM 0 HB2 LEU A 52 -12.337 -25.787 -9.735 1.00 51.22 H new ATOM 0 HB3 LEU A 52 -12.285 -25.557 -7.999 1.00 51.22 H new ATOM 0 HG LEU A 52 -9.851 -25.519 -8.024 1.00 50.21 H new ATOM 0 HD11 LEU A 52 -8.604 -25.570 -10.148 1.00 75.53 H new ATOM 0 HD12 LEU A 52 -9.460 -27.101 -9.847 1.00 75.53 H new ATOM 0 HD13 LEU A 52 -10.113 -25.932 -11.020 1.00 75.53 H new ATOM 0 HD21 LEU A 52 -9.521 -23.440 -9.309 1.00 21.53 H new ATOM 0 HD22 LEU A 52 -11.067 -23.719 -10.146 1.00 21.53 H new ATOM 0 HD23 LEU A 52 -11.047 -23.415 -8.393 1.00 21.53 H new ATOM 849 N ILE A 53 -11.658 -27.634 -6.215 1.00 51.11 N ATOM 850 CA ILE A 53 -11.051 -27.936 -4.925 1.00 11.33 C ATOM 851 C ILE A 53 -10.571 -29.382 -4.868 1.00 31.03 C ATOM 852 O ILE A 53 -9.399 -29.648 -4.603 1.00 43.32 O ATOM 853 CB ILE A 53 -12.037 -27.688 -3.767 1.00 45.23 C ATOM 854 CG1 ILE A 53 -12.535 -26.241 -3.794 1.00 25.33 C ATOM 855 CG2 ILE A 53 -11.376 -28.002 -2.433 1.00 74.31 C ATOM 856 CD1 ILE A 53 -13.888 -26.056 -3.143 1.00 63.23 C ATOM 0 H ILE A 53 -12.584 -27.210 -6.157 1.00 51.11 H new ATOM 0 HA ILE A 53 -10.197 -27.268 -4.814 1.00 11.33 H new ATOM 0 HB ILE A 53 -12.894 -28.350 -3.890 1.00 45.23 H new ATOM 0 HG12 ILE A 53 -11.808 -25.605 -3.289 1.00 25.33 H new ATOM 0 HG13 ILE A 53 -12.589 -25.903 -4.829 1.00 25.33 H new ATOM 0 HG21 ILE A 53 -12.085 -27.822 -1.625 1.00 74.31 H new ATOM 0 HG22 ILE A 53 -11.066 -29.047 -2.418 1.00 74.31 H new ATOM 0 HG23 ILE A 53 -10.504 -27.362 -2.300 1.00 74.31 H new ATOM 0 HD11 ILE A 53 -14.178 -25.007 -3.199 1.00 63.23 H new ATOM 0 HD12 ILE A 53 -14.628 -26.665 -3.662 1.00 63.23 H new ATOM 0 HD13 ILE A 53 -13.834 -26.363 -2.098 1.00 63.23 H new ATOM 868 N SER A 54 -11.485 -30.314 -5.120 1.00 12.54 N ATOM 869 CA SER A 54 -11.156 -31.734 -5.095 1.00 50.12 C ATOM 870 C SER A 54 -9.975 -32.034 -6.013 1.00 51.45 C ATOM 871 O SER A 54 -9.193 -32.950 -5.759 1.00 15.12 O ATOM 872 CB SER A 54 -12.368 -32.567 -5.516 1.00 31.31 C ATOM 873 OG SER A 54 -12.203 -33.927 -5.153 1.00 64.14 O ATOM 0 H SER A 54 -12.459 -30.111 -5.344 1.00 12.54 H new ATOM 0 HA SER A 54 -10.878 -32.000 -4.075 1.00 50.12 H new ATOM 0 HB2 SER A 54 -13.268 -32.169 -5.047 1.00 31.31 H new ATOM 0 HB3 SER A 54 -12.510 -32.490 -6.594 1.00 31.31 H new ATOM 0 HG SER A 54 -11.829 -34.424 -5.910 1.00 64.14 H new ATOM 879 N SER A 55 -9.852 -31.254 -7.083 1.00 14.00 N ATOM 880 CA SER A 55 -8.770 -31.437 -8.042 1.00 64.24 C ATOM 881 C SER A 55 -7.437 -30.987 -7.451 1.00 15.33 C ATOM 882 O SER A 55 -6.379 -31.504 -7.810 1.00 4.24 O ATOM 883 CB SER A 55 -9.060 -30.658 -9.326 1.00 50.43 C ATOM 884 OG SER A 55 -8.350 -31.202 -10.425 1.00 72.22 O ATOM 0 H SER A 55 -10.489 -30.489 -7.307 1.00 14.00 H new ATOM 0 HA SER A 55 -8.703 -32.499 -8.277 1.00 64.24 H new ATOM 0 HB2 SER A 55 -10.130 -30.679 -9.534 1.00 50.43 H new ATOM 0 HB3 SER A 55 -8.782 -29.613 -9.191 1.00 50.43 H new ATOM 0 HG SER A 55 -7.473 -31.518 -10.123 1.00 72.22 H new ATOM 890 N LEU A 56 -7.498 -30.020 -6.542 1.00 10.40 N ATOM 891 CA LEU A 56 -6.297 -29.498 -5.899 1.00 11.22 C ATOM 892 C LEU A 56 -5.716 -30.516 -4.923 1.00 1.21 C ATOM 893 O LEU A 56 -4.600 -30.352 -4.430 1.00 65.24 O ATOM 894 CB LEU A 56 -6.614 -28.194 -5.165 1.00 4.42 C ATOM 895 CG LEU A 56 -6.141 -26.909 -5.846 1.00 11.54 C ATOM 896 CD1 LEU A 56 -7.329 -26.100 -6.343 1.00 72.10 C ATOM 897 CD2 LEU A 56 -5.292 -26.081 -4.892 1.00 12.33 C ATOM 0 H LEU A 56 -8.366 -29.582 -6.234 1.00 10.40 H new ATOM 0 HA LEU A 56 -5.556 -29.301 -6.674 1.00 11.22 H new ATOM 0 HB2 LEU A 56 -7.693 -28.132 -5.026 1.00 4.42 H new ATOM 0 HB3 LEU A 56 -6.167 -28.241 -4.172 1.00 4.42 H new ATOM 0 HG LEU A 56 -5.527 -27.181 -6.705 1.00 11.54 H new ATOM 0 HD11 LEU A 56 -6.973 -25.189 -6.825 1.00 72.10 H new ATOM 0 HD12 LEU A 56 -7.897 -26.692 -7.061 1.00 72.10 H new ATOM 0 HD13 LEU A 56 -7.969 -25.838 -5.500 1.00 72.10 H new ATOM 0 HD21 LEU A 56 -4.964 -25.170 -5.394 1.00 12.33 H new ATOM 0 HD22 LEU A 56 -5.882 -25.819 -4.014 1.00 12.33 H new ATOM 0 HD23 LEU A 56 -4.421 -26.660 -4.585 1.00 12.33 H new ATOM 909 N VAL A 57 -6.480 -31.569 -4.649 1.00 41.41 N ATOM 910 CA VAL A 57 -6.040 -32.616 -3.735 1.00 3.42 C ATOM 911 C VAL A 57 -6.087 -33.985 -4.404 1.00 3.33 C ATOM 912 O VAL A 57 -5.053 -34.541 -4.774 1.00 71.42 O ATOM 913 CB VAL A 57 -6.905 -32.649 -2.461 1.00 51.31 C ATOM 914 CG1 VAL A 57 -6.167 -32.006 -1.297 1.00 1.50 C ATOM 915 CG2 VAL A 57 -8.238 -31.958 -2.705 1.00 51.50 C ATOM 0 H VAL A 57 -7.407 -31.719 -5.047 1.00 41.41 H new ATOM 0 HA VAL A 57 -5.011 -32.384 -3.460 1.00 3.42 H new ATOM 0 HB VAL A 57 -7.103 -33.690 -2.204 1.00 51.31 H new ATOM 0 HG11 VAL A 57 -6.794 -32.039 -0.406 1.00 1.50 H new ATOM 0 HG12 VAL A 57 -5.241 -32.549 -1.109 1.00 1.50 H new ATOM 0 HG13 VAL A 57 -5.937 -30.969 -1.541 1.00 1.50 H new ATOM 0 HG21 VAL A 57 -8.837 -31.990 -1.795 1.00 51.50 H new ATOM 0 HG22 VAL A 57 -8.063 -30.920 -2.988 1.00 51.50 H new ATOM 0 HG23 VAL A 57 -8.771 -32.468 -3.508 1.00 51.50 H new ATOM 925 N TRP A 58 -7.292 -34.522 -4.555 1.00 42.43 N ATOM 926 CA TRP A 58 -7.474 -35.827 -5.181 1.00 3.34 C ATOM 927 C TRP A 58 -7.576 -35.695 -6.696 1.00 54.41 C ATOM 928 O TRP A 58 -6.633 -36.007 -7.421 1.00 23.44 O ATOM 929 CB TRP A 58 -8.727 -36.509 -4.630 1.00 10.23 C ATOM 930 CG TRP A 58 -9.042 -37.809 -5.306 1.00 42.31 C ATOM 931 CD1 TRP A 58 -10.100 -38.069 -6.129 1.00 33.32 C ATOM 932 CD2 TRP A 58 -8.292 -39.025 -5.216 1.00 33.23 C ATOM 933 NE1 TRP A 58 -10.054 -39.375 -6.555 1.00 41.43 N ATOM 934 CE2 TRP A 58 -8.954 -39.982 -6.010 1.00 61.11 C ATOM 935 CE3 TRP A 58 -7.126 -39.399 -4.543 1.00 42.21 C ATOM 936 CZ2 TRP A 58 -8.487 -41.287 -6.147 1.00 40.41 C ATOM 937 CZ3 TRP A 58 -6.664 -40.694 -4.680 1.00 2.01 C ATOM 938 CH2 TRP A 58 -7.343 -41.625 -5.477 1.00 63.02 C ATOM 0 H TRP A 58 -8.157 -34.075 -4.253 1.00 42.43 H new ATOM 0 HA TRP A 58 -6.603 -36.439 -4.947 1.00 3.34 H new ATOM 0 HB2 TRP A 58 -8.596 -36.685 -3.562 1.00 10.23 H new ATOM 0 HB3 TRP A 58 -9.577 -35.835 -4.740 1.00 10.23 H new ATOM 0 HD1 TRP A 58 -10.861 -37.354 -6.405 1.00 33.32 H new ATOM 0 HE1 TRP A 58 -10.730 -39.820 -7.176 1.00 41.43 H new ATOM 0 HE3 TRP A 58 -6.595 -38.688 -3.927 1.00 42.21 H new ATOM 0 HZ2 TRP A 58 -9.009 -42.006 -6.760 1.00 40.41 H new ATOM 0 HZ3 TRP A 58 -5.764 -40.994 -4.164 1.00 2.01 H new ATOM 0 HH2 TRP A 58 -6.956 -42.629 -5.564 1.00 63.02 H new ATOM 949 N ASN A 59 -8.728 -35.229 -7.169 1.00 32.14 N ATOM 950 CA ASN A 59 -8.953 -35.056 -8.599 1.00 73.21 C ATOM 951 C ASN A 59 -10.277 -34.344 -8.859 1.00 51.42 C ATOM 952 O ASN A 59 -11.130 -34.257 -7.977 1.00 14.42 O ATOM 953 CB ASN A 59 -8.944 -36.413 -9.306 1.00 34.33 C ATOM 954 CG ASN A 59 -7.627 -36.694 -10.003 1.00 1.54 C ATOM 955 OD1 ASN A 59 -6.932 -37.656 -9.677 1.00 73.41 O ATOM 956 ND2 ASN A 59 -7.277 -35.851 -10.967 1.00 40.52 N ATOM 0 H ASN A 59 -9.520 -34.965 -6.583 1.00 32.14 H new ATOM 0 HA ASN A 59 -8.146 -34.441 -8.997 1.00 73.21 H new ATOM 0 HB2 ASN A 59 -9.142 -37.200 -8.578 1.00 34.33 H new ATOM 0 HB3 ASN A 59 -9.752 -36.444 -10.037 1.00 34.33 H new ATOM 0 HD21 ASN A 59 -6.401 -35.988 -11.471 1.00 40.52 H new ATOM 0 HD22 ASN A 59 -7.884 -35.067 -11.204 1.00 40.52 H new ATOM 963 N MET A 60 -10.440 -33.836 -10.077 1.00 34.24 N ATOM 964 CA MET A 60 -11.661 -33.133 -10.453 1.00 51.25 C ATOM 965 C MET A 60 -12.756 -34.118 -10.849 1.00 33.22 C ATOM 966 O MET A 60 -12.479 -35.273 -11.168 1.00 62.33 O ATOM 967 CB MET A 60 -11.384 -32.170 -11.609 1.00 40.43 C ATOM 968 CG MET A 60 -11.186 -32.866 -12.946 1.00 45.41 C ATOM 969 SD MET A 60 -10.252 -31.864 -14.119 1.00 11.50 S ATOM 970 CE MET A 60 -11.580 -31.155 -15.091 1.00 24.23 C ATOM 0 H MET A 60 -9.743 -33.898 -10.819 1.00 34.24 H new ATOM 0 HA MET A 60 -12.004 -32.564 -9.589 1.00 51.25 H new ATOM 0 HB2 MET A 60 -12.214 -31.468 -11.693 1.00 40.43 H new ATOM 0 HB3 MET A 60 -10.494 -31.585 -11.378 1.00 40.43 H new ATOM 0 HG2 MET A 60 -10.666 -33.810 -12.786 1.00 45.41 H new ATOM 0 HG3 MET A 60 -12.159 -33.106 -13.374 1.00 45.41 H new ATOM 0 HE1 MET A 60 -11.161 -30.508 -15.862 1.00 24.23 H new ATOM 0 HE2 MET A 60 -12.154 -31.954 -15.560 1.00 24.23 H new ATOM 0 HE3 MET A 60 -12.234 -30.571 -14.443 1.00 24.23 H new ATOM 980 N ASN A 61 -14.001 -33.654 -10.824 1.00 53.54 N ATOM 981 CA ASN A 61 -15.138 -34.495 -11.180 1.00 13.05 C ATOM 982 C ASN A 61 -16.436 -33.693 -11.157 1.00 33.52 C ATOM 983 O ASN A 61 -16.498 -32.608 -10.579 1.00 51.25 O ATOM 984 CB ASN A 61 -15.241 -35.681 -10.219 1.00 34.23 C ATOM 985 CG ASN A 61 -14.844 -35.314 -8.802 1.00 14.31 C ATOM 986 OD1 ASN A 61 -15.143 -34.218 -8.326 1.00 61.21 O ATOM 987 ND2 ASN A 61 -14.167 -36.231 -8.121 1.00 15.24 N ATOM 0 H ASN A 61 -14.248 -32.700 -10.561 1.00 53.54 H new ATOM 0 HA ASN A 61 -14.980 -34.868 -12.192 1.00 13.05 H new ATOM 0 HB2 ASN A 61 -16.264 -36.058 -10.221 1.00 34.23 H new ATOM 0 HB3 ASN A 61 -14.602 -36.490 -10.574 1.00 34.23 H new ATOM 0 HD21 ASN A 61 -13.873 -36.041 -7.163 1.00 15.24 H new ATOM 0 HD22 ASN A 61 -13.941 -37.126 -8.556 1.00 15.24 H new ATOM 994 N PHE A 62 -17.472 -34.237 -11.789 1.00 3.55 N ATOM 995 CA PHE A 62 -18.769 -33.572 -11.841 1.00 61.55 C ATOM 996 C PHE A 62 -19.642 -33.990 -10.662 1.00 10.33 C ATOM 997 O PHE A 62 -20.570 -33.276 -10.279 1.00 64.22 O ATOM 998 CB PHE A 62 -19.479 -33.899 -13.157 1.00 13.22 C ATOM 999 CG PHE A 62 -20.417 -32.819 -13.615 1.00 74.12 C ATOM 1000 CD1 PHE A 62 -19.967 -31.521 -13.792 1.00 41.21 C ATOM 1001 CD2 PHE A 62 -21.750 -33.103 -13.870 1.00 5.52 C ATOM 1002 CE1 PHE A 62 -20.828 -30.525 -14.213 1.00 74.41 C ATOM 1003 CE2 PHE A 62 -22.616 -32.111 -14.292 1.00 24.25 C ATOM 1004 CZ PHE A 62 -22.154 -30.821 -14.464 1.00 60.23 C ATOM 0 H PHE A 62 -17.438 -35.135 -12.271 1.00 3.55 H new ATOM 0 HA PHE A 62 -18.602 -32.497 -11.783 1.00 61.55 H new ATOM 0 HB2 PHE A 62 -18.731 -34.072 -13.931 1.00 13.22 H new ATOM 0 HB3 PHE A 62 -20.037 -34.828 -13.039 1.00 13.22 H new ATOM 0 HD1 PHE A 62 -18.931 -31.284 -13.599 1.00 41.21 H new ATOM 0 HD2 PHE A 62 -22.116 -34.110 -13.738 1.00 5.52 H new ATOM 0 HE1 PHE A 62 -20.465 -29.517 -14.346 1.00 74.41 H new ATOM 0 HE2 PHE A 62 -23.652 -32.345 -14.487 1.00 24.25 H new ATOM 0 HZ PHE A 62 -22.828 -30.045 -14.794 1.00 60.23 H new ATOM 1014 N ASP A 63 -19.338 -35.150 -10.090 1.00 55.21 N ATOM 1015 CA ASP A 63 -20.094 -35.663 -8.954 1.00 34.15 C ATOM 1016 C ASP A 63 -19.387 -35.342 -7.641 1.00 0.23 C ATOM 1017 O ASP A 63 -18.262 -35.783 -7.406 1.00 32.31 O ATOM 1018 CB ASP A 63 -20.291 -37.174 -9.085 1.00 23.21 C ATOM 1019 CG ASP A 63 -20.712 -37.584 -10.482 1.00 42.05 C ATOM 1020 OD1 ASP A 63 -21.796 -37.152 -10.925 1.00 74.33 O ATOM 1021 OD2 ASP A 63 -19.957 -38.337 -11.133 1.00 60.11 O ATOM 0 H ASP A 63 -18.573 -35.753 -10.395 1.00 55.21 H new ATOM 0 HA ASP A 63 -21.069 -35.176 -8.949 1.00 34.15 H new ATOM 0 HB2 ASP A 63 -19.363 -37.682 -8.825 1.00 23.21 H new ATOM 0 HB3 ASP A 63 -21.046 -37.502 -8.370 1.00 23.21 H new ATOM 1026 N SER A 64 -20.054 -34.569 -6.789 1.00 25.22 N ATOM 1027 CA SER A 64 -19.487 -34.184 -5.502 1.00 23.54 C ATOM 1028 C SER A 64 -19.004 -35.410 -4.732 1.00 70.43 C ATOM 1029 O SER A 64 -19.792 -36.291 -4.389 1.00 34.43 O ATOM 1030 CB SER A 64 -20.522 -33.423 -4.672 1.00 1.42 C ATOM 1031 OG SER A 64 -20.561 -32.054 -5.036 1.00 44.25 O ATOM 0 H SER A 64 -20.987 -34.197 -6.967 1.00 25.22 H new ATOM 0 HA SER A 64 -18.632 -33.534 -5.690 1.00 23.54 H new ATOM 0 HB2 SER A 64 -21.506 -33.869 -4.815 1.00 1.42 H new ATOM 0 HB3 SER A 64 -20.282 -33.514 -3.613 1.00 1.42 H new ATOM 0 HG SER A 64 -21.231 -31.590 -4.492 1.00 44.25 H new ATOM 1037 N ASP A 65 -17.704 -35.459 -4.466 1.00 24.24 N ATOM 1038 CA ASP A 65 -17.114 -36.576 -3.736 1.00 51.11 C ATOM 1039 C ASP A 65 -17.576 -36.580 -2.282 1.00 55.04 C ATOM 1040 O ASP A 65 -16.914 -36.022 -1.407 1.00 15.52 O ATOM 1041 CB ASP A 65 -15.588 -36.505 -3.798 1.00 45.45 C ATOM 1042 CG ASP A 65 -14.931 -37.820 -3.430 1.00 21.34 C ATOM 1043 OD1 ASP A 65 -15.413 -38.875 -3.893 1.00 35.11 O ATOM 1044 OD2 ASP A 65 -13.934 -37.795 -2.678 1.00 61.23 O ATOM 0 H ASP A 65 -17.038 -34.739 -4.745 1.00 24.24 H new ATOM 0 HA ASP A 65 -17.446 -37.501 -4.207 1.00 51.11 H new ATOM 0 HB2 ASP A 65 -15.281 -36.218 -4.804 1.00 45.45 H new ATOM 0 HB3 ASP A 65 -15.236 -35.725 -3.123 1.00 45.45 H new ATOM 1049 N THR A 66 -18.718 -37.213 -2.032 1.00 15.24 N ATOM 1050 CA THR A 66 -19.271 -37.288 -0.685 1.00 50.21 C ATOM 1051 C THR A 66 -19.133 -35.955 0.041 1.00 41.51 C ATOM 1052 O THR A 66 -18.917 -35.916 1.251 1.00 11.24 O ATOM 1053 CB THR A 66 -18.580 -38.386 0.145 1.00 0.34 C ATOM 1054 OG1 THR A 66 -19.239 -38.532 1.408 1.00 21.52 O ATOM 1055 CG2 THR A 66 -17.113 -38.052 0.369 1.00 23.11 C ATOM 0 H THR A 66 -19.278 -37.681 -2.745 1.00 15.24 H new ATOM 0 HA THR A 66 -20.328 -37.533 -0.790 1.00 50.21 H new ATOM 0 HB THR A 66 -18.643 -39.323 -0.408 1.00 0.34 H new ATOM 0 HG1 THR A 66 -19.364 -37.650 1.816 1.00 21.52 H new ATOM 0 HG21 THR A 66 -16.646 -38.842 0.957 1.00 23.11 H new ATOM 0 HG22 THR A 66 -16.608 -37.969 -0.593 1.00 23.11 H new ATOM 0 HG23 THR A 66 -17.033 -37.105 0.904 1.00 23.11 H new ATOM 1063 N ASN A 67 -19.259 -34.863 -0.707 1.00 14.03 N ATOM 1064 CA ASN A 67 -19.149 -33.527 -0.133 1.00 44.42 C ATOM 1065 C ASN A 67 -17.957 -33.439 0.816 1.00 34.10 C ATOM 1066 O ASN A 67 -18.044 -32.834 1.885 1.00 75.42 O ATOM 1067 CB ASN A 67 -20.435 -33.160 0.610 1.00 41.44 C ATOM 1068 CG ASN A 67 -21.634 -33.082 -0.315 1.00 53.42 C ATOM 1069 OD1 ASN A 67 -21.544 -32.555 -1.424 1.00 63.34 O ATOM 1070 ND2 ASN A 67 -22.766 -33.606 0.139 1.00 34.40 N ATOM 0 H ASN A 67 -19.437 -34.877 -1.711 1.00 14.03 H new ATOM 0 HA ASN A 67 -18.995 -32.820 -0.948 1.00 44.42 H new ATOM 0 HB2 ASN A 67 -20.626 -33.900 1.387 1.00 41.44 H new ATOM 0 HB3 ASN A 67 -20.302 -32.200 1.110 1.00 41.44 H new ATOM 0 HD21 ASN A 67 -23.607 -33.582 -0.438 1.00 34.40 H new ATOM 0 HD22 ASN A 67 -22.795 -34.033 1.065 1.00 34.40 H new ATOM 1077 N VAL A 68 -16.844 -34.047 0.418 1.00 52.35 N ATOM 1078 CA VAL A 68 -15.634 -34.036 1.231 1.00 34.42 C ATOM 1079 C VAL A 68 -15.094 -32.620 1.395 1.00 71.25 C ATOM 1080 O VAL A 68 -14.386 -32.323 2.357 1.00 42.52 O ATOM 1081 CB VAL A 68 -14.537 -34.925 0.616 1.00 1.02 C ATOM 1082 CG1 VAL A 68 -14.176 -34.440 -0.780 1.00 14.34 C ATOM 1083 CG2 VAL A 68 -13.309 -34.952 1.514 1.00 60.22 C ATOM 0 H VAL A 68 -16.755 -34.554 -0.463 1.00 52.35 H new ATOM 0 HA VAL A 68 -15.906 -34.432 2.209 1.00 34.42 H new ATOM 0 HB VAL A 68 -14.921 -35.942 0.533 1.00 1.02 H new ATOM 0 HG11 VAL A 68 -13.399 -35.080 -1.198 1.00 14.34 H new ATOM 0 HG12 VAL A 68 -15.059 -34.477 -1.418 1.00 14.34 H new ATOM 0 HG13 VAL A 68 -13.810 -33.415 -0.726 1.00 14.34 H new ATOM 0 HG21 VAL A 68 -12.544 -35.585 1.065 1.00 60.22 H new ATOM 0 HG22 VAL A 68 -12.921 -33.940 1.630 1.00 60.22 H new ATOM 0 HG23 VAL A 68 -13.582 -35.351 2.491 1.00 60.22 H new ATOM 1093 N ILE A 69 -15.433 -31.751 0.449 1.00 54.32 N ATOM 1094 CA ILE A 69 -14.984 -30.365 0.489 1.00 4.20 C ATOM 1095 C ILE A 69 -15.634 -29.609 1.643 1.00 51.03 C ATOM 1096 O ILE A 69 -14.947 -29.072 2.512 1.00 54.31 O ATOM 1097 CB ILE A 69 -15.295 -29.633 -0.830 1.00 35.22 C ATOM 1098 CG1 ILE A 69 -14.644 -30.360 -2.008 1.00 62.10 C ATOM 1099 CG2 ILE A 69 -14.818 -28.190 -0.761 1.00 21.41 C ATOM 1100 CD1 ILE A 69 -13.158 -30.583 -1.834 1.00 2.44 C ATOM 0 H ILE A 69 -16.017 -31.982 -0.355 1.00 54.32 H new ATOM 0 HA ILE A 69 -13.904 -30.388 0.636 1.00 4.20 H new ATOM 0 HB ILE A 69 -16.374 -29.631 -0.981 1.00 35.22 H new ATOM 0 HG12 ILE A 69 -15.134 -31.324 -2.145 1.00 62.10 H new ATOM 0 HG13 ILE A 69 -14.813 -29.784 -2.918 1.00 62.10 H new ATOM 0 HG21 ILE A 69 -15.045 -27.686 -1.701 1.00 21.41 H new ATOM 0 HG22 ILE A 69 -15.325 -27.678 0.057 1.00 21.41 H new ATOM 0 HG23 ILE A 69 -13.742 -28.170 -0.590 1.00 21.41 H new ATOM 0 HD11 ILE A 69 -12.764 -31.103 -2.707 1.00 2.44 H new ATOM 0 HD12 ILE A 69 -12.656 -29.621 -1.727 1.00 2.44 H new ATOM 0 HD13 ILE A 69 -12.982 -31.185 -0.943 1.00 2.44 H new ATOM 1112 N ASP A 70 -16.962 -29.573 1.645 1.00 20.11 N ATOM 1113 CA ASP A 70 -17.706 -28.886 2.694 1.00 54.32 C ATOM 1114 C ASP A 70 -17.442 -29.522 4.055 1.00 62.34 C ATOM 1115 O ASP A 70 -17.443 -28.842 5.081 1.00 64.03 O ATOM 1116 CB ASP A 70 -19.205 -28.913 2.387 1.00 45.21 C ATOM 1117 CG ASP A 70 -19.939 -27.728 2.982 1.00 10.41 C ATOM 1118 OD1 ASP A 70 -19.866 -26.629 2.394 1.00 3.52 O ATOM 1119 OD2 ASP A 70 -20.587 -27.899 4.036 1.00 5.14 O ATOM 0 H ASP A 70 -17.545 -30.011 0.932 1.00 20.11 H new ATOM 0 HA ASP A 70 -17.367 -27.850 2.726 1.00 54.32 H new ATOM 0 HB2 ASP A 70 -19.352 -28.922 1.307 1.00 45.21 H new ATOM 0 HB3 ASP A 70 -19.636 -29.836 2.775 1.00 45.21 H new ATOM 1124 N VAL A 71 -17.217 -30.832 4.056 1.00 65.43 N ATOM 1125 CA VAL A 71 -16.950 -31.561 5.290 1.00 34.31 C ATOM 1126 C VAL A 71 -15.523 -31.325 5.771 1.00 32.10 C ATOM 1127 O VAL A 71 -15.257 -31.310 6.972 1.00 3.43 O ATOM 1128 CB VAL A 71 -17.175 -33.074 5.108 1.00 34.12 C ATOM 1129 CG1 VAL A 71 -16.838 -33.822 6.389 1.00 63.22 C ATOM 1130 CG2 VAL A 71 -18.609 -33.352 4.681 1.00 1.41 C ATOM 0 H VAL A 71 -17.214 -31.410 3.216 1.00 65.43 H new ATOM 0 HA VAL A 71 -17.649 -31.184 6.037 1.00 34.31 H new ATOM 0 HB VAL A 71 -16.510 -33.430 4.321 1.00 34.12 H new ATOM 0 HG11 VAL A 71 -17.003 -34.889 6.241 1.00 63.22 H new ATOM 0 HG12 VAL A 71 -15.793 -33.649 6.647 1.00 63.22 H new ATOM 0 HG13 VAL A 71 -17.476 -33.465 7.197 1.00 63.22 H new ATOM 0 HG21 VAL A 71 -18.750 -34.426 4.557 1.00 1.41 H new ATOM 0 HG22 VAL A 71 -19.294 -32.982 5.444 1.00 1.41 H new ATOM 0 HG23 VAL A 71 -18.811 -32.848 3.736 1.00 1.41 H new ATOM 1140 N ALA A 72 -14.609 -31.141 4.825 1.00 44.14 N ATOM 1141 CA ALA A 72 -13.208 -30.903 5.152 1.00 52.45 C ATOM 1142 C ALA A 72 -13.028 -29.557 5.846 1.00 21.35 C ATOM 1143 O ALA A 72 -12.217 -29.425 6.764 1.00 54.55 O ATOM 1144 CB ALA A 72 -12.354 -30.968 3.894 1.00 12.10 C ATOM 0 H ALA A 72 -14.813 -31.152 3.826 1.00 44.14 H new ATOM 0 HA ALA A 72 -12.883 -31.684 5.840 1.00 52.45 H new ATOM 0 HB1 ALA A 72 -11.311 -30.788 4.153 1.00 12.10 H new ATOM 0 HB2 ALA A 72 -12.451 -31.954 3.439 1.00 12.10 H new ATOM 0 HB3 ALA A 72 -12.688 -30.208 3.188 1.00 12.10 H new ATOM 1150 N VAL A 73 -13.788 -28.561 5.403 1.00 12.14 N ATOM 1151 CA VAL A 73 -13.712 -27.225 5.983 1.00 34.33 C ATOM 1152 C VAL A 73 -14.461 -27.159 7.309 1.00 15.35 C ATOM 1153 O VAL A 73 -14.043 -26.465 8.236 1.00 11.41 O ATOM 1154 CB VAL A 73 -14.289 -26.165 5.027 1.00 40.32 C ATOM 1155 CG1 VAL A 73 -15.743 -26.471 4.703 1.00 32.41 C ATOM 1156 CG2 VAL A 73 -14.150 -24.774 5.628 1.00 62.13 C ATOM 0 H VAL A 73 -14.463 -28.654 4.644 1.00 12.14 H new ATOM 0 HA VAL A 73 -12.657 -27.013 6.154 1.00 34.33 H new ATOM 0 HB VAL A 73 -13.721 -26.193 4.097 1.00 40.32 H new ATOM 0 HG11 VAL A 73 -16.133 -25.711 4.026 1.00 32.41 H new ATOM 0 HG12 VAL A 73 -15.812 -27.449 4.228 1.00 32.41 H new ATOM 0 HG13 VAL A 73 -16.328 -26.472 5.623 1.00 32.41 H new ATOM 0 HG21 VAL A 73 -14.563 -24.037 4.939 1.00 62.13 H new ATOM 0 HG22 VAL A 73 -14.691 -24.730 6.573 1.00 62.13 H new ATOM 0 HG23 VAL A 73 -13.096 -24.557 5.803 1.00 62.13 H new ATOM 1166 N ARG A 74 -15.571 -27.886 7.393 1.00 0.52 N ATOM 1167 CA ARG A 74 -16.379 -27.909 8.606 1.00 14.42 C ATOM 1168 C ARG A 74 -15.720 -28.766 9.683 1.00 53.03 C ATOM 1169 O ARG A 74 -15.844 -28.486 10.875 1.00 21.12 O ATOM 1170 CB ARG A 74 -17.780 -28.442 8.301 1.00 72.21 C ATOM 1171 CG ARG A 74 -18.655 -27.457 7.543 1.00 35.23 C ATOM 1172 CD ARG A 74 -19.264 -26.421 8.475 1.00 23.15 C ATOM 1173 NE ARG A 74 -20.228 -25.566 7.789 1.00 74.33 N ATOM 1174 CZ ARG A 74 -21.096 -24.783 8.420 1.00 74.43 C ATOM 1175 NH1 ARG A 74 -21.120 -24.747 9.745 1.00 70.21 N ATOM 1176 NH2 ARG A 74 -21.943 -24.034 7.725 1.00 60.21 N ATOM 0 H ARG A 74 -15.931 -28.467 6.635 1.00 0.52 H new ATOM 0 HA ARG A 74 -16.459 -26.888 8.978 1.00 14.42 H new ATOM 0 HB2 ARG A 74 -17.692 -29.359 7.719 1.00 72.21 H new ATOM 0 HB3 ARG A 74 -18.271 -28.705 9.238 1.00 72.21 H new ATOM 0 HG2 ARG A 74 -18.062 -26.956 6.778 1.00 35.23 H new ATOM 0 HG3 ARG A 74 -19.450 -27.996 7.028 1.00 35.23 H new ATOM 0 HD2 ARG A 74 -19.755 -26.926 9.307 1.00 23.15 H new ATOM 0 HD3 ARG A 74 -18.471 -25.805 8.900 1.00 23.15 H new ATOM 0 HE ARG A 74 -20.236 -25.570 6.769 1.00 74.33 H new ATOM 0 HH11 ARG A 74 -20.471 -25.321 10.283 1.00 70.21 H new ATOM 0 HH12 ARG A 74 -21.788 -24.145 10.227 1.00 70.21 H new ATOM 0 HH21 ARG A 74 -21.928 -24.059 6.705 1.00 60.21 H new ATOM 0 HH22 ARG A 74 -22.609 -23.433 8.210 1.00 60.21 H new ATOM 1190 N ARG A 75 -15.021 -29.811 9.253 1.00 23.23 N ATOM 1191 CA ARG A 75 -14.344 -30.710 10.180 1.00 23.30 C ATOM 1192 C ARG A 75 -13.065 -30.075 10.718 1.00 42.14 C ATOM 1193 O ARG A 75 -12.740 -30.210 11.898 1.00 14.22 O ATOM 1194 CB ARG A 75 -14.016 -32.036 9.490 1.00 34.04 C ATOM 1195 CG ARG A 75 -12.866 -31.940 8.502 1.00 60.53 C ATOM 1196 CD ARG A 75 -12.593 -33.279 7.834 1.00 23.10 C ATOM 1197 NE ARG A 75 -12.278 -34.322 8.807 1.00 44.22 N ATOM 1198 CZ ARG A 75 -11.097 -34.436 9.405 1.00 12.04 C ATOM 1199 NH1 ARG A 75 -10.126 -33.576 9.132 1.00 2.14 N ATOM 1200 NH2 ARG A 75 -10.887 -35.412 10.280 1.00 41.24 N ATOM 0 H ARG A 75 -14.909 -30.056 8.269 1.00 23.23 H new ATOM 0 HA ARG A 75 -15.015 -30.900 11.018 1.00 23.30 H new ATOM 0 HB2 ARG A 75 -13.771 -32.780 10.248 1.00 34.04 H new ATOM 0 HB3 ARG A 75 -14.904 -32.393 8.968 1.00 34.04 H new ATOM 0 HG2 ARG A 75 -13.099 -31.194 7.742 1.00 60.53 H new ATOM 0 HG3 ARG A 75 -11.968 -31.600 9.018 1.00 60.53 H new ATOM 0 HD2 ARG A 75 -13.464 -33.578 7.252 1.00 23.10 H new ATOM 0 HD3 ARG A 75 -11.763 -33.173 7.135 1.00 23.10 H new ATOM 0 HE ARG A 75 -13.004 -34.999 9.040 1.00 44.22 H new ATOM 0 HH11 ARG A 75 -10.284 -32.824 8.461 1.00 2.14 H new ATOM 0 HH12 ARG A 75 -9.220 -33.666 9.593 1.00 2.14 H new ATOM 0 HH21 ARG A 75 -11.632 -36.075 10.493 1.00 41.24 H new ATOM 0 HH22 ARG A 75 -9.980 -35.499 10.739 1.00 41.24 H new ATOM 1214 N LEU A 76 -12.342 -29.383 9.844 1.00 50.30 N ATOM 1215 CA LEU A 76 -11.098 -28.726 10.230 1.00 23.31 C ATOM 1216 C LEU A 76 -11.376 -27.482 11.067 1.00 44.30 C ATOM 1217 O LEU A 76 -10.671 -27.204 12.037 1.00 23.14 O ATOM 1218 CB LEU A 76 -10.290 -28.349 8.987 1.00 30.10 C ATOM 1219 CG LEU A 76 -10.652 -27.017 8.330 1.00 1.53 C ATOM 1220 CD1 LEU A 76 -9.983 -25.862 9.061 1.00 35.41 C ATOM 1221 CD2 LEU A 76 -10.255 -27.021 6.861 1.00 15.01 C ATOM 0 H LEU A 76 -12.596 -29.262 8.863 1.00 50.30 H new ATOM 0 HA LEU A 76 -10.519 -29.425 10.834 1.00 23.31 H new ATOM 0 HB2 LEU A 76 -9.235 -28.322 9.258 1.00 30.10 H new ATOM 0 HB3 LEU A 76 -10.409 -29.140 8.247 1.00 30.10 H new ATOM 0 HG LEU A 76 -11.732 -26.884 8.394 1.00 1.53 H new ATOM 0 HD11 LEU A 76 -10.252 -24.922 8.579 1.00 35.41 H new ATOM 0 HD12 LEU A 76 -10.316 -25.846 10.099 1.00 35.41 H new ATOM 0 HD13 LEU A 76 -8.901 -25.989 9.029 1.00 35.41 H new ATOM 0 HD21 LEU A 76 -10.520 -26.065 6.410 1.00 15.01 H new ATOM 0 HD22 LEU A 76 -9.180 -27.177 6.775 1.00 15.01 H new ATOM 0 HD23 LEU A 76 -10.780 -27.824 6.344 1.00 15.01 H new ATOM 1233 N ARG A 77 -12.408 -26.737 10.686 1.00 52.13 N ATOM 1234 CA ARG A 77 -12.780 -25.522 11.402 1.00 61.54 C ATOM 1235 C ARG A 77 -13.365 -25.856 12.771 1.00 72.03 C ATOM 1236 O ARG A 77 -13.186 -25.109 13.732 1.00 1.33 O ATOM 1237 CB ARG A 77 -13.791 -24.714 10.586 1.00 4.44 C ATOM 1238 CG ARG A 77 -15.196 -25.292 10.612 1.00 11.45 C ATOM 1239 CD ARG A 77 -16.029 -24.681 11.729 1.00 23.20 C ATOM 1240 NE ARG A 77 -17.018 -25.621 12.250 1.00 2.35 N ATOM 1241 CZ ARG A 77 -17.763 -25.382 13.324 1.00 75.53 C ATOM 1242 NH1 ARG A 77 -17.633 -24.241 13.985 1.00 12.04 N ATOM 1243 NH2 ARG A 77 -18.642 -26.287 13.737 1.00 52.14 N ATOM 0 H ARG A 77 -13.002 -26.953 9.885 1.00 52.13 H new ATOM 0 HA ARG A 77 -11.880 -24.925 11.547 1.00 61.54 H new ATOM 0 HB2 ARG A 77 -13.820 -23.693 10.967 1.00 4.44 H new ATOM 0 HB3 ARG A 77 -13.449 -24.658 9.552 1.00 4.44 H new ATOM 0 HG2 ARG A 77 -15.683 -25.112 9.653 1.00 11.45 H new ATOM 0 HG3 ARG A 77 -15.144 -26.373 10.745 1.00 11.45 H new ATOM 0 HD2 ARG A 77 -15.372 -24.361 12.538 1.00 23.20 H new ATOM 0 HD3 ARG A 77 -16.536 -23.790 11.358 1.00 23.20 H new ATOM 0 HE ARG A 77 -17.144 -26.509 11.763 1.00 2.35 H new ATOM 0 HH11 ARG A 77 -16.959 -23.543 13.670 1.00 12.04 H new ATOM 0 HH12 ARG A 77 -18.207 -24.061 14.809 1.00 12.04 H new ATOM 0 HH21 ARG A 77 -18.746 -27.166 13.230 1.00 52.14 H new ATOM 0 HH22 ARG A 77 -19.214 -26.103 14.561 1.00 52.14 H new ATOM 1257 N SER A 78 -14.066 -26.983 12.851 1.00 42.34 N ATOM 1258 CA SER A 78 -14.681 -27.413 14.101 1.00 72.25 C ATOM 1259 C SER A 78 -13.666 -28.124 14.989 1.00 24.44 C ATOM 1260 O SER A 78 -14.001 -28.611 16.069 1.00 20.53 O ATOM 1261 CB SER A 78 -15.866 -28.339 13.818 1.00 64.51 C ATOM 1262 OG SER A 78 -16.359 -28.916 15.015 1.00 61.23 O ATOM 0 H SER A 78 -14.222 -27.614 12.065 1.00 42.34 H new ATOM 0 HA SER A 78 -15.038 -26.527 14.626 1.00 72.25 H new ATOM 0 HB2 SER A 78 -16.661 -27.778 13.327 1.00 64.51 H new ATOM 0 HB3 SER A 78 -15.560 -29.127 13.130 1.00 64.51 H new ATOM 0 HG SER A 78 -15.956 -28.465 15.786 1.00 61.23 H new ATOM 1268 N LYS A 79 -12.421 -28.180 14.527 1.00 31.52 N ATOM 1269 CA LYS A 79 -11.354 -28.830 15.279 1.00 61.45 C ATOM 1270 C LYS A 79 -10.621 -27.826 16.162 1.00 31.03 C ATOM 1271 O LYS A 79 -10.353 -28.096 17.333 1.00 2.14 O ATOM 1272 CB LYS A 79 -10.365 -29.501 14.323 1.00 62.42 C ATOM 1273 CG LYS A 79 -10.502 -31.013 14.268 1.00 21.25 C ATOM 1274 CD LYS A 79 -9.748 -31.599 13.087 1.00 65.41 C ATOM 1275 CE LYS A 79 -9.703 -33.118 13.152 1.00 25.34 C ATOM 1276 NZ LYS A 79 -8.777 -33.600 14.214 1.00 24.44 N ATOM 0 H LYS A 79 -12.126 -27.783 13.635 1.00 31.52 H new ATOM 0 HA LYS A 79 -11.805 -29.589 15.919 1.00 61.45 H new ATOM 0 HB2 LYS A 79 -10.508 -29.095 13.322 1.00 62.42 H new ATOM 0 HB3 LYS A 79 -9.350 -29.247 14.627 1.00 62.42 H new ATOM 0 HG2 LYS A 79 -10.124 -31.447 15.194 1.00 21.25 H new ATOM 0 HG3 LYS A 79 -11.556 -31.281 14.197 1.00 21.25 H new ATOM 0 HD2 LYS A 79 -10.226 -31.288 12.158 1.00 65.41 H new ATOM 0 HD3 LYS A 79 -8.732 -31.204 13.071 1.00 65.41 H new ATOM 0 HE2 LYS A 79 -10.705 -33.503 13.341 1.00 25.34 H new ATOM 0 HE3 LYS A 79 -9.386 -33.514 12.187 1.00 25.34 H new ATOM 0 HZ1 LYS A 79 -8.630 -34.624 14.107 1.00 24.44 H new ATOM 0 HZ2 LYS A 79 -7.865 -33.108 14.129 1.00 24.44 H new ATOM 0 HZ3 LYS A 79 -9.189 -33.405 15.149 1.00 24.44 H new ATOM 1290 N ILE A 80 -10.302 -26.668 15.595 1.00 41.13 N ATOM 1291 CA ILE A 80 -9.603 -25.623 16.333 1.00 61.14 C ATOM 1292 C ILE A 80 -10.407 -24.328 16.346 1.00 12.42 C ATOM 1293 O ILE A 80 -10.514 -23.662 17.376 1.00 32.25 O ATOM 1294 CB ILE A 80 -8.212 -25.344 15.733 1.00 71.44 C ATOM 1295 CG1 ILE A 80 -7.539 -24.183 16.467 1.00 21.45 C ATOM 1296 CG2 ILE A 80 -8.327 -25.042 14.246 1.00 15.11 C ATOM 1297 CD1 ILE A 80 -7.372 -24.423 17.952 1.00 74.13 C ATOM 0 H ILE A 80 -10.516 -26.429 14.627 1.00 41.13 H new ATOM 0 HA ILE A 80 -9.483 -25.984 17.354 1.00 61.14 H new ATOM 0 HB ILE A 80 -7.595 -26.234 15.857 1.00 71.44 H new ATOM 0 HG12 ILE A 80 -6.560 -24.002 16.024 1.00 21.45 H new ATOM 0 HG13 ILE A 80 -8.128 -23.278 16.317 1.00 21.45 H new ATOM 0 HG21 ILE A 80 -7.336 -24.847 13.837 1.00 15.11 H new ATOM 0 HG22 ILE A 80 -8.769 -25.897 13.734 1.00 15.11 H new ATOM 0 HG23 ILE A 80 -8.958 -24.166 14.101 1.00 15.11 H new ATOM 0 HD11 ILE A 80 -6.888 -23.559 18.408 1.00 74.13 H new ATOM 0 HD12 ILE A 80 -8.350 -24.574 18.408 1.00 74.13 H new ATOM 0 HD13 ILE A 80 -6.757 -25.309 18.110 1.00 74.13 H new ATOM 1309 N ASP A 81 -10.972 -23.977 15.196 1.00 12.44 N ATOM 1310 CA ASP A 81 -11.770 -22.762 15.076 1.00 51.10 C ATOM 1311 C ASP A 81 -13.080 -22.893 15.847 1.00 23.33 C ATOM 1312 O ASP A 81 -13.798 -21.912 16.043 1.00 64.43 O ATOM 1313 CB ASP A 81 -12.059 -22.459 13.605 1.00 65.43 C ATOM 1314 CG ASP A 81 -11.426 -21.160 13.146 1.00 30.20 C ATOM 1315 OD1 ASP A 81 -10.192 -21.020 13.282 1.00 14.25 O ATOM 1316 OD2 ASP A 81 -12.164 -20.284 12.650 1.00 74.12 O ATOM 0 H ASP A 81 -10.892 -24.516 14.334 1.00 12.44 H new ATOM 0 HA ASP A 81 -11.198 -21.938 15.504 1.00 51.10 H new ATOM 0 HB2 ASP A 81 -11.688 -23.278 12.989 1.00 65.43 H new ATOM 0 HB3 ASP A 81 -13.137 -22.408 13.453 1.00 65.43 H new ATOM 1321 N ASP A 82 -13.385 -24.111 16.282 1.00 44.01 N ATOM 1322 CA ASP A 82 -14.608 -24.371 17.032 1.00 60.01 C ATOM 1323 C ASP A 82 -14.727 -23.425 18.223 1.00 41.13 C ATOM 1324 O ASP A 82 -15.805 -22.903 18.508 1.00 44.40 O ATOM 1325 CB ASP A 82 -14.638 -25.823 17.513 1.00 2.40 C ATOM 1326 CG ASP A 82 -16.050 -26.356 17.655 1.00 25.44 C ATOM 1327 OD1 ASP A 82 -16.908 -25.627 18.193 1.00 1.44 O ATOM 1328 OD2 ASP A 82 -16.296 -27.505 17.230 1.00 42.44 O ATOM 0 H ASP A 82 -12.802 -24.934 16.128 1.00 44.01 H new ATOM 0 HA ASP A 82 -15.455 -24.199 16.368 1.00 60.01 H new ATOM 0 HB2 ASP A 82 -14.086 -26.447 16.810 1.00 2.40 H new ATOM 0 HB3 ASP A 82 -14.127 -25.895 18.473 1.00 2.40 H new ATOM 1333 N ASP A 83 -13.613 -23.210 18.914 1.00 33.03 N ATOM 1334 CA ASP A 83 -13.592 -22.327 20.075 1.00 53.14 C ATOM 1335 C ASP A 83 -12.353 -21.437 20.058 1.00 31.42 C ATOM 1336 O ASP A 83 -11.640 -21.330 21.056 1.00 11.41 O ATOM 1337 CB ASP A 83 -13.631 -23.145 21.366 1.00 24.41 C ATOM 1338 CG ASP A 83 -14.179 -22.354 22.537 1.00 2.01 C ATOM 1339 OD1 ASP A 83 -15.117 -21.556 22.328 1.00 61.35 O ATOM 1340 OD2 ASP A 83 -13.670 -22.533 23.663 1.00 14.34 O ATOM 0 H ASP A 83 -12.713 -23.635 18.691 1.00 33.03 H new ATOM 0 HA ASP A 83 -14.475 -21.690 20.032 1.00 53.14 H new ATOM 0 HB2 ASP A 83 -14.245 -24.032 21.212 1.00 24.41 H new ATOM 0 HB3 ASP A 83 -12.625 -23.491 21.604 1.00 24.41 H new ATOM 1345 N PHE A 84 -12.102 -20.803 18.918 1.00 3.40 N ATOM 1346 CA PHE A 84 -10.947 -19.924 18.771 1.00 53.04 C ATOM 1347 C PHE A 84 -11.308 -18.684 17.958 1.00 10.32 C ATOM 1348 O PHE A 84 -10.901 -17.571 18.291 1.00 22.44 O ATOM 1349 CB PHE A 84 -9.794 -20.671 18.097 1.00 1.24 C ATOM 1350 CG PHE A 84 -8.889 -21.375 19.067 1.00 23.21 C ATOM 1351 CD1 PHE A 84 -9.329 -22.491 19.761 1.00 64.14 C ATOM 1352 CD2 PHE A 84 -7.598 -20.921 19.286 1.00 51.04 C ATOM 1353 CE1 PHE A 84 -8.498 -23.142 20.653 1.00 11.04 C ATOM 1354 CE2 PHE A 84 -6.763 -21.568 20.177 1.00 41.12 C ATOM 1355 CZ PHE A 84 -7.214 -22.679 20.862 1.00 2.05 C ATOM 0 H PHE A 84 -12.682 -20.881 18.083 1.00 3.40 H new ATOM 0 HA PHE A 84 -10.634 -19.607 19.766 1.00 53.04 H new ATOM 0 HB2 PHE A 84 -10.203 -21.401 17.399 1.00 1.24 H new ATOM 0 HB3 PHE A 84 -9.206 -19.964 17.511 1.00 1.24 H new ATOM 0 HD1 PHE A 84 -10.333 -22.856 19.603 1.00 64.14 H new ATOM 0 HD2 PHE A 84 -7.240 -20.052 18.754 1.00 51.04 H new ATOM 0 HE1 PHE A 84 -8.852 -24.012 21.186 1.00 11.04 H new ATOM 0 HE2 PHE A 84 -5.759 -21.205 20.337 1.00 41.12 H new ATOM 0 HZ PHE A 84 -6.564 -23.185 21.560 1.00 2.05 H new ATOM 1365 N GLU A 85 -12.074 -18.885 16.891 1.00 72.04 N ATOM 1366 CA GLU A 85 -12.488 -17.783 16.030 1.00 74.32 C ATOM 1367 C GLU A 85 -13.915 -17.991 15.529 1.00 42.01 C ATOM 1368 O GLU A 85 -14.449 -19.100 15.542 1.00 30.11 O ATOM 1369 CB GLU A 85 -11.534 -17.648 14.842 1.00 64.22 C ATOM 1370 CG GLU A 85 -10.485 -16.564 15.024 1.00 23.13 C ATOM 1371 CD GLU A 85 -10.121 -15.879 13.721 1.00 21.13 C ATOM 1372 OE1 GLU A 85 -10.858 -14.959 13.310 1.00 50.42 O ATOM 1373 OE2 GLU A 85 -9.100 -16.263 13.113 1.00 33.21 O ATOM 0 H GLU A 85 -12.420 -19.800 16.602 1.00 72.04 H new ATOM 0 HA GLU A 85 -12.457 -16.865 16.617 1.00 74.32 H new ATOM 0 HB2 GLU A 85 -11.033 -18.602 14.678 1.00 64.22 H new ATOM 0 HB3 GLU A 85 -12.113 -17.434 13.944 1.00 64.22 H new ATOM 0 HG2 GLU A 85 -10.855 -15.820 15.730 1.00 23.13 H new ATOM 0 HG3 GLU A 85 -9.588 -17.002 15.463 1.00 23.13 H new ATOM 1380 N PRO A 86 -14.548 -16.898 15.077 1.00 63.12 N ATOM 1381 CA PRO A 86 -15.920 -16.934 14.563 1.00 11.21 C ATOM 1382 C PRO A 86 -16.021 -17.664 13.228 1.00 23.12 C ATOM 1383 O PRO A 86 -15.014 -17.899 12.560 1.00 62.13 O ATOM 1384 CB PRO A 86 -16.273 -15.454 14.391 1.00 31.32 C ATOM 1385 CG PRO A 86 -14.962 -14.771 14.205 1.00 73.30 C ATOM 1386 CD PRO A 86 -13.972 -15.544 15.032 1.00 42.42 C ATOM 0 HA PRO A 86 -16.591 -17.472 15.232 1.00 11.21 H new ATOM 0 HB2 PRO A 86 -16.925 -15.300 13.531 1.00 31.32 H new ATOM 0 HB3 PRO A 86 -16.800 -15.069 15.264 1.00 31.32 H new ATOM 0 HG2 PRO A 86 -14.671 -14.763 13.154 1.00 73.30 H new ATOM 0 HG3 PRO A 86 -15.014 -13.732 14.529 1.00 73.30 H new ATOM 0 HD2 PRO A 86 -12.981 -15.544 14.577 1.00 42.42 H new ATOM 0 HD3 PRO A 86 -13.864 -15.120 16.030 1.00 42.42 H new ATOM 1394 N LYS A 87 -17.242 -18.021 12.845 1.00 42.22 N ATOM 1395 CA LYS A 87 -17.475 -18.723 11.588 1.00 32.15 C ATOM 1396 C LYS A 87 -17.237 -17.801 10.397 1.00 5.12 C ATOM 1397 O LYS A 87 -18.029 -16.897 10.130 1.00 15.12 O ATOM 1398 CB LYS A 87 -18.903 -19.271 11.545 1.00 73.44 C ATOM 1399 CG LYS A 87 -19.304 -20.027 12.800 1.00 3.41 C ATOM 1400 CD LYS A 87 -20.565 -20.845 12.580 1.00 12.42 C ATOM 1401 CE LYS A 87 -21.231 -21.208 13.899 1.00 42.03 C ATOM 1402 NZ LYS A 87 -22.696 -21.424 13.740 1.00 65.34 N ATOM 0 H LYS A 87 -18.086 -17.836 13.387 1.00 42.22 H new ATOM 0 HA LYS A 87 -16.771 -19.553 11.528 1.00 32.15 H new ATOM 0 HB2 LYS A 87 -19.596 -18.444 11.393 1.00 73.44 H new ATOM 0 HB3 LYS A 87 -19.003 -19.933 10.685 1.00 73.44 H new ATOM 0 HG2 LYS A 87 -18.491 -20.686 13.104 1.00 3.41 H new ATOM 0 HG3 LYS A 87 -19.465 -19.321 13.615 1.00 3.41 H new ATOM 0 HD2 LYS A 87 -21.263 -20.280 11.962 1.00 12.42 H new ATOM 0 HD3 LYS A 87 -20.319 -21.755 12.033 1.00 12.42 H new ATOM 0 HE2 LYS A 87 -20.772 -22.111 14.301 1.00 42.03 H new ATOM 0 HE3 LYS A 87 -21.058 -20.413 14.624 1.00 42.03 H new ATOM 0 HZ1 LYS A 87 -23.113 -21.669 14.661 1.00 65.34 H new ATOM 0 HZ2 LYS A 87 -23.138 -20.554 13.381 1.00 65.34 H new ATOM 0 HZ3 LYS A 87 -22.862 -22.200 13.067 1.00 65.34 H new ATOM 1416 N LEU A 88 -16.141 -18.036 9.683 1.00 0.55 N ATOM 1417 CA LEU A 88 -15.799 -17.227 8.519 1.00 42.43 C ATOM 1418 C LEU A 88 -16.060 -17.994 7.227 1.00 74.02 C ATOM 1419 O LEU A 88 -15.620 -17.587 6.151 1.00 3.15 O ATOM 1420 CB LEU A 88 -14.331 -16.799 8.583 1.00 34.23 C ATOM 1421 CG LEU A 88 -14.052 -15.461 9.268 1.00 44.34 C ATOM 1422 CD1 LEU A 88 -14.685 -15.425 10.650 1.00 61.31 C ATOM 1423 CD2 LEU A 88 -12.553 -15.211 9.359 1.00 72.31 C ATOM 0 H LEU A 88 -15.475 -18.780 9.890 1.00 0.55 H new ATOM 0 HA LEU A 88 -16.431 -16.339 8.527 1.00 42.43 H new ATOM 0 HB2 LEU A 88 -13.769 -17.575 9.103 1.00 34.23 H new ATOM 0 HB3 LEU A 88 -13.942 -16.752 7.566 1.00 34.23 H new ATOM 0 HG LEU A 88 -14.497 -14.668 8.667 1.00 44.34 H new ATOM 0 HD11 LEU A 88 -14.475 -14.465 11.121 1.00 61.31 H new ATOM 0 HD12 LEU A 88 -15.763 -15.557 10.560 1.00 61.31 H new ATOM 0 HD13 LEU A 88 -14.271 -16.227 11.261 1.00 61.31 H new ATOM 0 HD21 LEU A 88 -12.373 -14.254 9.849 1.00 72.31 H new ATOM 0 HD22 LEU A 88 -12.086 -16.008 9.937 1.00 72.31 H new ATOM 0 HD23 LEU A 88 -12.126 -15.191 8.356 1.00 72.31 H new ATOM 1435 N ILE A 89 -16.781 -19.104 7.340 1.00 32.40 N ATOM 1436 CA ILE A 89 -17.104 -19.926 6.180 1.00 32.55 C ATOM 1437 C ILE A 89 -18.465 -19.552 5.603 1.00 40.00 C ATOM 1438 O ILE A 89 -19.467 -19.517 6.318 1.00 22.23 O ATOM 1439 CB ILE A 89 -17.105 -21.425 6.535 1.00 25.13 C ATOM 1440 CG1 ILE A 89 -15.738 -21.842 7.084 1.00 73.03 C ATOM 1441 CG2 ILE A 89 -17.468 -22.258 5.315 1.00 34.24 C ATOM 1442 CD1 ILE A 89 -15.775 -23.122 7.889 1.00 73.13 C ATOM 0 H ILE A 89 -17.153 -19.455 8.223 1.00 32.40 H new ATOM 0 HA ILE A 89 -16.331 -19.737 5.435 1.00 32.55 H new ATOM 0 HB ILE A 89 -17.855 -21.600 7.306 1.00 25.13 H new ATOM 0 HG12 ILE A 89 -15.044 -21.965 6.253 1.00 73.03 H new ATOM 0 HG13 ILE A 89 -15.347 -21.040 7.710 1.00 73.03 H new ATOM 0 HG21 ILE A 89 -17.464 -23.315 5.582 1.00 34.24 H new ATOM 0 HG22 ILE A 89 -18.461 -21.976 4.964 1.00 34.24 H new ATOM 0 HG23 ILE A 89 -16.739 -22.081 4.524 1.00 34.24 H new ATOM 0 HD11 ILE A 89 -14.772 -23.356 8.246 1.00 73.13 H new ATOM 0 HD12 ILE A 89 -16.444 -22.997 8.741 1.00 73.13 H new ATOM 0 HD13 ILE A 89 -16.136 -23.936 7.261 1.00 73.13 H new ATOM 1454 N HIS A 90 -18.494 -19.274 4.303 1.00 10.14 N ATOM 1455 CA HIS A 90 -19.733 -18.904 3.628 1.00 20.22 C ATOM 1456 C HIS A 90 -19.871 -19.646 2.302 1.00 50.31 C ATOM 1457 O HIS A 90 -18.907 -19.775 1.547 1.00 23.30 O ATOM 1458 CB HIS A 90 -19.777 -17.395 3.389 1.00 14.20 C ATOM 1459 CG HIS A 90 -20.204 -16.610 4.591 1.00 34.12 C ATOM 1460 ND1 HIS A 90 -21.497 -16.613 5.072 1.00 41.14 N ATOM 1461 CD2 HIS A 90 -19.501 -15.796 5.412 1.00 11.15 C ATOM 1462 CE1 HIS A 90 -21.571 -15.833 6.135 1.00 4.12 C ATOM 1463 NE2 HIS A 90 -20.373 -15.325 6.364 1.00 62.45 N ATOM 0 H HIS A 90 -17.674 -19.298 3.697 1.00 10.14 H new ATOM 0 HA HIS A 90 -20.567 -19.186 4.271 1.00 20.22 H new ATOM 0 HB2 HIS A 90 -18.789 -17.056 3.076 1.00 14.20 H new ATOM 0 HB3 HIS A 90 -20.461 -17.186 2.567 1.00 14.20 H new ATOM 0 HD2 HIS A 90 -18.450 -15.560 5.334 1.00 11.15 H new ATOM 0 HE1 HIS A 90 -22.460 -15.643 6.718 1.00 4.12 H new ATOM 0 HE2 HIS A 90 -20.134 -14.687 7.123 1.00 62.45 H new ATOM 1471 N THR A 91 -21.077 -20.132 2.024 1.00 43.01 N ATOM 1472 CA THR A 91 -21.341 -20.862 0.790 1.00 4.04 C ATOM 1473 C THR A 91 -22.542 -20.280 0.053 1.00 24.45 C ATOM 1474 O THR A 91 -23.641 -20.202 0.602 1.00 1.20 O ATOM 1475 CB THR A 91 -21.596 -22.356 1.065 1.00 4.04 C ATOM 1476 OG1 THR A 91 -20.381 -22.992 1.479 1.00 73.30 O ATOM 1477 CG2 THR A 91 -22.141 -23.049 -0.174 1.00 65.13 C ATOM 0 H THR A 91 -21.886 -20.033 2.637 1.00 43.01 H new ATOM 0 HA THR A 91 -20.452 -20.761 0.167 1.00 4.04 H new ATOM 0 HB THR A 91 -22.337 -22.435 1.861 1.00 4.04 H new ATOM 0 HG1 THR A 91 -20.552 -23.941 1.654 1.00 73.30 H new ATOM 0 HG21 THR A 91 -22.313 -24.103 0.045 1.00 65.13 H new ATOM 0 HG22 THR A 91 -23.080 -22.581 -0.469 1.00 65.13 H new ATOM 0 HG23 THR A 91 -21.421 -22.960 -0.987 1.00 65.13 H new ATOM 1485 N VAL A 92 -22.325 -19.874 -1.193 1.00 40.15 N ATOM 1486 CA VAL A 92 -23.391 -19.301 -2.007 1.00 3.22 C ATOM 1487 C VAL A 92 -24.109 -20.379 -2.811 1.00 1.04 C ATOM 1488 O VAL A 92 -23.560 -20.922 -3.770 1.00 10.34 O ATOM 1489 CB VAL A 92 -22.846 -18.232 -2.973 1.00 73.45 C ATOM 1490 CG1 VAL A 92 -23.988 -17.537 -3.699 1.00 11.22 C ATOM 1491 CG2 VAL A 92 -21.987 -17.225 -2.224 1.00 53.13 C ATOM 0 H VAL A 92 -21.421 -19.931 -1.662 1.00 40.15 H new ATOM 0 HA VAL A 92 -24.097 -18.834 -1.321 1.00 3.22 H new ATOM 0 HB VAL A 92 -22.221 -18.725 -3.717 1.00 73.45 H new ATOM 0 HG11 VAL A 92 -23.584 -16.785 -4.377 1.00 11.22 H new ATOM 0 HG12 VAL A 92 -24.557 -18.271 -4.269 1.00 11.22 H new ATOM 0 HG13 VAL A 92 -24.642 -17.056 -2.972 1.00 11.22 H new ATOM 0 HG21 VAL A 92 -21.611 -16.477 -2.922 1.00 53.13 H new ATOM 0 HG22 VAL A 92 -22.586 -16.735 -1.456 1.00 53.13 H new ATOM 0 HG23 VAL A 92 -21.148 -17.740 -1.756 1.00 53.13 H new ATOM 1501 N ARG A 93 -25.340 -20.684 -2.413 1.00 61.12 N ATOM 1502 CA ARG A 93 -26.134 -21.698 -3.096 1.00 62.43 C ATOM 1503 C ARG A 93 -26.189 -21.426 -4.597 1.00 13.13 C ATOM 1504 O ARG A 93 -26.921 -20.548 -5.052 1.00 4.42 O ATOM 1505 CB ARG A 93 -27.551 -21.740 -2.522 1.00 0.52 C ATOM 1506 CG ARG A 93 -27.641 -22.433 -1.172 1.00 52.41 C ATOM 1507 CD ARG A 93 -29.083 -22.736 -0.797 1.00 13.11 C ATOM 1508 NE ARG A 93 -29.173 -23.658 0.332 1.00 3.23 N ATOM 1509 CZ ARG A 93 -30.321 -24.033 0.885 1.00 23.23 C ATOM 1510 NH1 ARG A 93 -31.470 -23.568 0.415 1.00 30.44 N ATOM 1511 NH2 ARG A 93 -30.320 -24.876 1.910 1.00 14.24 N ATOM 0 H ARG A 93 -25.809 -20.243 -1.621 1.00 61.12 H new ATOM 0 HA ARG A 93 -25.657 -22.665 -2.937 1.00 62.43 H new ATOM 0 HB2 ARG A 93 -27.924 -20.721 -2.423 1.00 0.52 H new ATOM 0 HB3 ARG A 93 -28.205 -22.252 -3.228 1.00 0.52 H new ATOM 0 HG2 ARG A 93 -27.068 -23.360 -1.199 1.00 52.41 H new ATOM 0 HG3 ARG A 93 -27.190 -21.801 -0.407 1.00 52.41 H new ATOM 0 HD2 ARG A 93 -29.596 -21.807 -0.548 1.00 13.11 H new ATOM 0 HD3 ARG A 93 -29.599 -23.164 -1.657 1.00 13.11 H new ATOM 0 HE ARG A 93 -28.307 -24.035 0.717 1.00 3.23 H new ATOM 0 HH11 ARG A 93 -31.474 -22.921 -0.373 1.00 30.44 H new ATOM 0 HH12 ARG A 93 -32.350 -23.858 0.842 1.00 30.44 H new ATOM 0 HH21 ARG A 93 -29.438 -25.236 2.273 1.00 14.24 H new ATOM 0 HH22 ARG A 93 -31.202 -25.164 2.334 1.00 14.24 H new ATOM 1525 N GLY A 94 -25.410 -22.186 -5.360 1.00 41.24 N ATOM 1526 CA GLY A 94 -25.385 -22.010 -6.801 1.00 22.53 C ATOM 1527 C GLY A 94 -24.059 -21.468 -7.296 1.00 23.13 C ATOM 1528 O GLY A 94 -23.974 -20.930 -8.399 1.00 4.30 O ATOM 0 H GLY A 94 -24.796 -22.920 -5.007 1.00 41.24 H new ATOM 0 HA2 GLY A 94 -25.586 -22.966 -7.284 1.00 22.53 H new ATOM 0 HA3 GLY A 94 -26.184 -21.330 -7.095 1.00 22.53 H new ATOM 1532 N ALA A 95 -23.021 -21.609 -6.477 1.00 51.32 N ATOM 1533 CA ALA A 95 -21.693 -21.129 -6.838 1.00 41.12 C ATOM 1534 C ALA A 95 -20.612 -22.092 -6.358 1.00 52.14 C ATOM 1535 O ALA A 95 -19.915 -22.709 -7.163 1.00 13.03 O ATOM 1536 CB ALA A 95 -21.459 -19.740 -6.262 1.00 63.32 C ATOM 0 H ALA A 95 -23.075 -22.052 -5.560 1.00 51.32 H new ATOM 0 HA ALA A 95 -21.637 -21.074 -7.925 1.00 41.12 H new ATOM 0 HB1 ALA A 95 -20.463 -19.394 -6.539 1.00 63.32 H new ATOM 0 HB2 ALA A 95 -22.206 -19.052 -6.658 1.00 63.32 H new ATOM 0 HB3 ALA A 95 -21.540 -19.778 -5.176 1.00 63.32 H new ATOM 1542 N GLY A 96 -20.478 -22.215 -5.041 1.00 61.12 N ATOM 1543 CA GLY A 96 -19.479 -23.104 -4.477 1.00 71.24 C ATOM 1544 C GLY A 96 -19.210 -22.819 -3.013 1.00 64.22 C ATOM 1545 O GLY A 96 -20.043 -23.107 -2.154 1.00 11.01 O ATOM 0 H GLY A 96 -21.043 -21.715 -4.355 1.00 61.12 H new ATOM 0 HA2 GLY A 96 -19.811 -24.136 -4.588 1.00 71.24 H new ATOM 0 HA3 GLY A 96 -18.551 -23.006 -5.040 1.00 71.24 H new ATOM 1549 N TYR A 97 -18.042 -22.254 -2.728 1.00 10.25 N ATOM 1550 CA TYR A 97 -17.663 -21.934 -1.356 1.00 40.45 C ATOM 1551 C TYR A 97 -16.764 -20.702 -1.313 1.00 42.13 C ATOM 1552 O TYR A 97 -16.050 -20.406 -2.272 1.00 10.23 O ATOM 1553 CB TYR A 97 -16.949 -23.123 -0.712 1.00 11.24 C ATOM 1554 CG TYR A 97 -15.452 -23.119 -0.925 1.00 12.44 C ATOM 1555 CD1 TYR A 97 -14.912 -23.009 -2.200 1.00 53.11 C ATOM 1556 CD2 TYR A 97 -14.578 -23.223 0.150 1.00 24.31 C ATOM 1557 CE1 TYR A 97 -13.545 -23.005 -2.399 1.00 73.42 C ATOM 1558 CE2 TYR A 97 -13.209 -23.219 -0.040 1.00 32.25 C ATOM 1559 CZ TYR A 97 -12.698 -23.111 -1.316 1.00 0.51 C ATOM 1560 OH TYR A 97 -11.336 -23.106 -1.510 1.00 43.00 O ATOM 0 H TYR A 97 -17.342 -22.008 -3.428 1.00 10.25 H new ATOM 0 HA TYR A 97 -18.572 -21.718 -0.795 1.00 40.45 H new ATOM 0 HB2 TYR A 97 -17.155 -23.123 0.358 1.00 11.24 H new ATOM 0 HB3 TYR A 97 -17.363 -24.047 -1.117 1.00 11.24 H new ATOM 0 HD1 TYR A 97 -15.572 -22.925 -3.051 1.00 53.11 H new ATOM 0 HD2 TYR A 97 -14.975 -23.308 1.151 1.00 24.31 H new ATOM 0 HE1 TYR A 97 -13.142 -22.919 -3.397 1.00 73.42 H new ATOM 0 HE2 TYR A 97 -12.543 -23.300 0.806 1.00 32.25 H new ATOM 0 HH TYR A 97 -10.900 -23.596 -0.782 1.00 43.00 H new ATOM 1570 N VAL A 98 -16.804 -19.987 -0.193 1.00 63.12 N ATOM 1571 CA VAL A 98 -15.992 -18.788 -0.022 1.00 71.12 C ATOM 1572 C VAL A 98 -15.826 -18.443 1.453 1.00 2.24 C ATOM 1573 O VAL A 98 -16.597 -18.898 2.300 1.00 50.55 O ATOM 1574 CB VAL A 98 -16.611 -17.582 -0.754 1.00 31.23 C ATOM 1575 CG1 VAL A 98 -17.823 -17.062 0.005 1.00 43.03 C ATOM 1576 CG2 VAL A 98 -15.576 -16.483 -0.939 1.00 62.33 C ATOM 0 H VAL A 98 -17.390 -20.217 0.609 1.00 63.12 H new ATOM 0 HA VAL A 98 -15.015 -19.003 -0.454 1.00 71.12 H new ATOM 0 HB VAL A 98 -16.942 -17.908 -1.740 1.00 31.23 H new ATOM 0 HG11 VAL A 98 -18.247 -16.210 -0.527 1.00 43.03 H new ATOM 0 HG12 VAL A 98 -18.571 -17.851 0.081 1.00 43.03 H new ATOM 0 HG13 VAL A 98 -17.520 -16.751 1.005 1.00 43.03 H new ATOM 0 HG21 VAL A 98 -16.030 -15.639 -1.458 1.00 62.33 H new ATOM 0 HG22 VAL A 98 -15.213 -16.157 0.036 1.00 62.33 H new ATOM 0 HG23 VAL A 98 -14.742 -16.864 -1.528 1.00 62.33 H new ATOM 1586 N LEU A 99 -14.815 -17.636 1.756 1.00 11.21 N ATOM 1587 CA LEU A 99 -14.547 -17.228 3.131 1.00 40.11 C ATOM 1588 C LEU A 99 -14.756 -15.727 3.304 1.00 1.11 C ATOM 1589 O LEU A 99 -14.524 -14.948 2.380 1.00 20.12 O ATOM 1590 CB LEU A 99 -13.118 -17.604 3.526 1.00 61.41 C ATOM 1591 CG LEU A 99 -12.032 -16.592 3.161 1.00 42.21 C ATOM 1592 CD1 LEU A 99 -10.685 -17.031 3.714 1.00 60.01 C ATOM 1593 CD2 LEU A 99 -11.957 -16.410 1.652 1.00 73.32 C ATOM 0 H LEU A 99 -14.167 -17.251 1.068 1.00 11.21 H new ATOM 0 HA LEU A 99 -15.247 -17.751 3.782 1.00 40.11 H new ATOM 0 HB2 LEU A 99 -13.090 -17.763 4.604 1.00 61.41 H new ATOM 0 HB3 LEU A 99 -12.871 -18.556 3.057 1.00 61.41 H new ATOM 0 HG LEU A 99 -12.291 -15.633 3.610 1.00 42.21 H new ATOM 0 HD11 LEU A 99 -9.925 -16.298 3.444 1.00 60.01 H new ATOM 0 HD12 LEU A 99 -10.745 -17.108 4.800 1.00 60.01 H new ATOM 0 HD13 LEU A 99 -10.419 -18.001 3.295 1.00 60.01 H new ATOM 0 HD21 LEU A 99 -11.179 -15.686 1.411 1.00 73.32 H new ATOM 0 HD22 LEU A 99 -11.723 -17.365 1.182 1.00 73.32 H new ATOM 0 HD23 LEU A 99 -12.916 -16.048 1.281 1.00 73.32 H new ATOM 1605 N GLU A 100 -15.193 -15.329 4.495 1.00 54.02 N ATOM 1606 CA GLU A 100 -15.432 -13.921 4.789 1.00 42.23 C ATOM 1607 C GLU A 100 -15.812 -13.728 6.254 1.00 42.51 C ATOM 1608 O GLU A 100 -16.031 -14.696 6.982 1.00 74.11 O ATOM 1609 CB GLU A 100 -16.537 -13.369 3.887 1.00 55.34 C ATOM 1610 CG GLU A 100 -16.022 -12.488 2.761 1.00 63.11 C ATOM 1611 CD GLU A 100 -17.018 -11.420 2.352 1.00 23.24 C ATOM 1612 OE1 GLU A 100 -18.145 -11.425 2.890 1.00 52.23 O ATOM 1613 OE2 GLU A 100 -16.670 -10.581 1.496 1.00 55.41 O ATOM 0 H GLU A 100 -15.388 -15.961 5.271 1.00 54.02 H new ATOM 0 HA GLU A 100 -14.509 -13.374 4.596 1.00 42.23 H new ATOM 0 HB2 GLU A 100 -17.095 -14.202 3.459 1.00 55.34 H new ATOM 0 HB3 GLU A 100 -17.237 -12.795 4.494 1.00 55.34 H new ATOM 0 HG2 GLU A 100 -15.093 -12.012 3.074 1.00 63.11 H new ATOM 0 HG3 GLU A 100 -15.787 -13.110 1.897 1.00 63.11 H new ATOM 1620 N ILE A 101 -15.887 -12.471 6.679 1.00 44.22 N ATOM 1621 CA ILE A 101 -16.240 -12.150 8.056 1.00 32.30 C ATOM 1622 C ILE A 101 -17.556 -11.382 8.121 1.00 3.22 C ATOM 1623 O ILE A 101 -18.139 -11.042 7.092 1.00 75.00 O ATOM 1624 CB ILE A 101 -15.139 -11.320 8.741 1.00 0.04 C ATOM 1625 CG1 ILE A 101 -14.892 -10.023 7.968 1.00 61.11 C ATOM 1626 CG2 ILE A 101 -13.856 -12.130 8.851 1.00 21.15 C ATOM 1627 CD1 ILE A 101 -13.868 -10.164 6.864 1.00 43.14 C ATOM 0 H ILE A 101 -15.708 -11.658 6.089 1.00 44.22 H new ATOM 0 HA ILE A 101 -16.349 -13.098 8.583 1.00 32.30 H new ATOM 0 HB ILE A 101 -15.471 -11.064 9.747 1.00 0.04 H new ATOM 0 HG12 ILE A 101 -15.833 -9.681 7.538 1.00 61.11 H new ATOM 0 HG13 ILE A 101 -14.561 -9.252 8.664 1.00 61.11 H new ATOM 0 HG21 ILE A 101 -13.087 -11.530 9.337 1.00 21.15 H new ATOM 0 HG22 ILE A 101 -14.042 -13.028 9.440 1.00 21.15 H new ATOM 0 HG23 ILE A 101 -13.518 -12.414 7.854 1.00 21.15 H new ATOM 0 HD11 ILE A 101 -13.744 -9.206 6.359 1.00 43.14 H new ATOM 0 HD12 ILE A 101 -12.914 -10.476 7.290 1.00 43.14 H new ATOM 0 HD13 ILE A 101 -14.207 -10.911 6.147 1.00 43.14 H new ATOM 1639 N ARG A 102 -18.016 -11.109 9.338 1.00 62.41 N ATOM 1640 CA ARG A 102 -19.262 -10.380 9.538 1.00 52.03 C ATOM 1641 C ARG A 102 -19.049 -8.880 9.356 1.00 54.10 C ATOM 1642 O ARG A 102 -19.972 -8.153 8.989 1.00 21.01 O ATOM 1643 CB ARG A 102 -19.824 -10.661 10.933 1.00 53.25 C ATOM 1644 CG ARG A 102 -20.037 -12.139 11.217 1.00 2.33 C ATOM 1645 CD ARG A 102 -21.031 -12.756 10.246 1.00 42.11 C ATOM 1646 NE ARG A 102 -22.317 -12.064 10.265 1.00 4.30 N ATOM 1647 CZ ARG A 102 -23.381 -12.472 9.584 1.00 72.14 C ATOM 1648 NH1 ARG A 102 -23.314 -13.563 8.834 1.00 61.43 N ATOM 1649 NH2 ARG A 102 -24.516 -11.789 9.652 1.00 15.40 N ATOM 0 H ARG A 102 -17.544 -11.382 10.200 1.00 62.41 H new ATOM 0 HA ARG A 102 -19.978 -10.721 8.790 1.00 52.03 H new ATOM 0 HB2 ARG A 102 -19.144 -10.251 11.679 1.00 53.25 H new ATOM 0 HB3 ARG A 102 -20.773 -10.138 11.045 1.00 53.25 H new ATOM 0 HG2 ARG A 102 -19.085 -12.665 11.147 1.00 2.33 H new ATOM 0 HG3 ARG A 102 -20.397 -12.266 12.238 1.00 2.33 H new ATOM 0 HD2 ARG A 102 -20.618 -12.726 9.238 1.00 42.11 H new ATOM 0 HD3 ARG A 102 -21.181 -13.806 10.499 1.00 42.11 H new ATOM 0 HE ARG A 102 -22.402 -11.221 10.833 1.00 4.30 H new ATOM 0 HH11 ARG A 102 -22.443 -14.091 8.779 1.00 61.43 H new ATOM 0 HH12 ARG A 102 -24.133 -13.874 8.312 1.00 61.43 H new ATOM 0 HH21 ARG A 102 -24.572 -10.949 10.228 1.00 15.40 H new ATOM 0 HH22 ARG A 102 -25.333 -12.104 9.128 1.00 15.40 H new ATOM 1663 N GLU A 103 -17.828 -8.425 9.616 1.00 3.10 N ATOM 1664 CA GLU A 103 -17.495 -7.011 9.482 1.00 33.42 C ATOM 1665 C GLU A 103 -17.742 -6.527 8.056 1.00 22.12 C ATOM 1666 O GLU A 103 -18.112 -5.374 7.837 1.00 22.32 O ATOM 1667 CB GLU A 103 -16.035 -6.769 9.870 1.00 61.25 C ATOM 1668 CG GLU A 103 -15.549 -5.363 9.562 1.00 1.21 C ATOM 1669 CD GLU A 103 -16.435 -4.293 10.170 1.00 31.34 C ATOM 1670 OE1 GLU A 103 -16.885 -4.478 11.320 1.00 33.43 O ATOM 1671 OE2 GLU A 103 -16.678 -3.271 9.496 1.00 50.32 O ATOM 0 H GLU A 103 -17.053 -9.014 9.920 1.00 3.10 H new ATOM 0 HA GLU A 103 -18.140 -6.446 10.155 1.00 33.42 H new ATOM 0 HB2 GLU A 103 -15.915 -6.961 10.936 1.00 61.25 H new ATOM 0 HB3 GLU A 103 -15.404 -7.486 9.344 1.00 61.25 H new ATOM 0 HG2 GLU A 103 -14.532 -5.244 9.937 1.00 1.21 H new ATOM 0 HG3 GLU A 103 -15.509 -5.225 8.482 1.00 1.21 H new ATOM 1678 N GLU A 104 -17.533 -7.417 7.091 1.00 40.01 N ATOM 1679 CA GLU A 104 -17.731 -7.080 5.686 1.00 11.31 C ATOM 1680 C GLU A 104 -19.110 -6.466 5.463 1.00 34.12 C ATOM 1681 O GLU A 104 -20.021 -6.652 6.270 1.00 5.53 O ATOM 1682 CB GLU A 104 -17.567 -8.325 4.812 1.00 53.42 C ATOM 1683 CG GLU A 104 -17.938 -8.099 3.356 1.00 53.13 C ATOM 1684 CD GLU A 104 -19.390 -8.428 3.066 1.00 62.43 C ATOM 1685 OE1 GLU A 104 -19.921 -9.367 3.695 1.00 75.10 O ATOM 1686 OE2 GLU A 104 -19.994 -7.748 2.210 1.00 24.51 O ATOM 0 H GLU A 104 -17.227 -8.376 7.256 1.00 40.01 H new ATOM 0 HA GLU A 104 -16.976 -6.346 5.405 1.00 11.31 H new ATOM 0 HB2 GLU A 104 -16.532 -8.663 4.866 1.00 53.42 H new ATOM 0 HB3 GLU A 104 -18.186 -9.126 5.216 1.00 53.42 H new ATOM 0 HG2 GLU A 104 -17.746 -7.059 3.093 1.00 53.13 H new ATOM 0 HG3 GLU A 104 -17.297 -8.712 2.722 1.00 53.13 H new TER 1693 GLU A 104