USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 941 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 114 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 75 THR OG1 : rot 60:sc= 0.116! USER MOD Set 2.2: A 90 HIS : no HE2:sc= -1.66 K(o=-1.5,f=-2.7!) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -0.0678 X(o=-0.17,f=-0.6) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= -0.103 USER MOD Set 4.1: A 5 THR OG1 : rot 2:sc= 0.833 USER MOD Set 4.2: A 8 SER OG : rot 180:sc= -0.658 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0 (180deg=-0.335) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0449 (180deg=-0.3) USER MOD Single : A 10 CYS SG : rot 116:sc= 0.53 USER MOD Single : A 13 MET CE :methyl -126:sc= -2.09 (180deg=-5.37!) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.95 (180deg=-1.36!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0526 USER MOD Single : A 27 ASN : amide:sc= -3.28 K(o=-3.3,f=-4.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 110:sc= 0.25 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -33:sc= 0.837 USER MOD Single : A 56 HIS : no HD1:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -93:sc= -0.0456 USER MOD Single : A 69 TYR OH : rot -67:sc= -0.579 USER MOD Single : A 70 LYS NZ :NH3+ -113:sc= -1.69 (180deg=-5.02!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 120:sc= -0.578 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 150:sc= -3.89! (180deg=-4.73!) USER MOD Single : A 88 HIS : no HD1:sc= -1.65 K(o=-1.7,f=-0.99) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.534 X(o=-0.53,f=-0.39) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 69:sc= 1.54 USER MOD Single : A 110 MET CE :methyl -129:sc= -1.66 (180deg=-7.59!) USER MOD Single : A 112 SER OG : rot -156:sc= -0.511 USER MOD Single : A 115 SER OG : rot 23:sc= -1.26 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0.219 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc=-0.00585 USER MOD Single : A 124 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.15) USER MOD Single : A 126 LYS NZ :NH3+ -165:sc= -0.0645 (180deg=-0.383) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.770 21.391 0.834 1.00 61.14 N ATOM 2 CA GLY A 1 6.118 20.097 0.920 1.00 32.12 C ATOM 3 C GLY A 1 6.132 19.535 2.327 1.00 34.20 C ATOM 4 O GLY A 1 6.916 18.644 2.655 1.00 34.12 O ATOM 0 H1 GLY A 1 6.300 21.969 0.109 1.00 61.14 H new ATOM 0 H2 GLY A 1 6.709 21.872 1.754 1.00 61.14 H new ATOM 0 H3 GLY A 1 7.769 21.260 0.578 1.00 61.14 H new ATOM 0 HA2 GLY A 1 5.087 20.189 0.579 1.00 32.12 H new ATOM 0 HA3 GLY A 1 6.615 19.398 0.247 1.00 32.12 H new ATOM 8 N PRO A 2 5.247 20.061 3.188 1.00 40.13 N ATOM 9 CA PRO A 2 5.141 19.621 4.581 1.00 12.23 C ATOM 10 C PRO A 2 4.569 18.213 4.704 1.00 60.11 C ATOM 11 O PRO A 2 4.401 17.511 3.706 1.00 13.32 O ATOM 12 CB PRO A 2 4.184 20.643 5.204 1.00 65.30 C ATOM 13 CG PRO A 2 3.372 21.145 4.061 1.00 53.50 C ATOM 14 CD PRO A 2 4.282 21.125 2.864 1.00 2.22 C ATOM 0 HA PRO A 2 6.115 19.575 5.068 1.00 12.23 H new ATOM 0 HB2 PRO A 2 3.554 20.183 5.966 1.00 65.30 H new ATOM 0 HB3 PRO A 2 4.730 21.453 5.688 1.00 65.30 H new ATOM 0 HG2 PRO A 2 2.498 20.515 3.897 1.00 53.50 H new ATOM 0 HG3 PRO A 2 3.006 22.153 4.256 1.00 53.50 H new ATOM 0 HD2 PRO A 2 3.735 20.906 1.947 1.00 2.22 H new ATOM 0 HD3 PRO A 2 4.776 22.086 2.719 1.00 2.22 H new ATOM 22 N THR A 3 4.271 17.805 5.933 1.00 14.22 N ATOM 23 CA THR A 3 3.718 16.480 6.186 1.00 30.12 C ATOM 24 C THR A 3 2.407 16.279 5.435 1.00 52.42 C ATOM 25 O THR A 3 1.849 17.222 4.876 1.00 64.13 O ATOM 26 CB THR A 3 3.476 16.250 7.690 1.00 60.14 C ATOM 27 OG1 THR A 3 2.344 17.013 8.126 1.00 65.23 O ATOM 28 CG2 THR A 3 4.702 16.641 8.502 1.00 54.24 C ATOM 0 H THR A 3 4.403 18.373 6.770 1.00 14.22 H new ATOM 0 HA THR A 3 4.452 15.758 5.829 1.00 30.12 H new ATOM 0 HB THR A 3 3.281 15.189 7.846 1.00 60.14 H new ATOM 0 HG1 THR A 3 2.195 16.860 9.083 1.00 65.23 H new ATOM 0 HG21 THR A 3 4.507 16.470 9.561 1.00 54.24 H new ATOM 0 HG22 THR A 3 5.554 16.038 8.188 1.00 54.24 H new ATOM 0 HG23 THR A 3 4.924 17.696 8.340 1.00 54.24 H new ATOM 36 N GLY A 4 1.918 15.042 5.427 1.00 41.43 N ATOM 37 CA GLY A 4 0.675 14.740 4.742 1.00 44.14 C ATOM 38 C GLY A 4 0.900 14.164 3.358 1.00 45.21 C ATOM 39 O GLY A 4 0.120 14.411 2.439 1.00 55.11 O ATOM 0 H GLY A 4 2.361 14.244 5.883 1.00 41.43 H new ATOM 0 HA2 GLY A 4 0.099 14.032 5.337 1.00 44.14 H new ATOM 0 HA3 GLY A 4 0.078 15.649 4.661 1.00 44.14 H new ATOM 43 N THR A 5 1.974 13.395 3.207 1.00 31.41 N ATOM 44 CA THR A 5 2.302 12.784 1.925 1.00 22.34 C ATOM 45 C THR A 5 2.507 11.280 2.069 1.00 31.32 C ATOM 46 O THR A 5 3.398 10.830 2.787 1.00 14.22 O ATOM 47 CB THR A 5 3.573 13.407 1.316 1.00 73.45 C ATOM 48 OG1 THR A 5 4.729 12.960 2.031 1.00 5.02 O ATOM 49 CG2 THR A 5 3.501 14.926 1.353 1.00 64.33 C ATOM 0 H THR A 5 2.631 13.181 3.957 1.00 31.41 H new ATOM 0 HA THR A 5 1.459 12.971 1.260 1.00 22.34 H new ATOM 0 HB THR A 5 3.646 13.088 0.276 1.00 73.45 H new ATOM 0 HG1 THR A 5 4.458 12.328 2.730 1.00 5.02 H new ATOM 0 HG21 THR A 5 4.409 15.344 0.918 1.00 64.33 H new ATOM 0 HG22 THR A 5 2.636 15.263 0.782 1.00 64.33 H new ATOM 0 HG23 THR A 5 3.406 15.261 2.386 1.00 64.33 H new ATOM 57 N GLY A 6 1.675 10.506 1.379 1.00 71.40 N ATOM 58 CA GLY A 6 1.781 9.060 1.443 1.00 40.22 C ATOM 59 C GLY A 6 2.340 8.463 0.166 1.00 10.15 C ATOM 60 O GLY A 6 2.790 7.317 0.155 1.00 53.20 O ATOM 0 H GLY A 6 0.929 10.855 0.777 1.00 71.40 H new ATOM 0 HA2 GLY A 6 2.421 8.782 2.281 1.00 40.22 H new ATOM 0 HA3 GLY A 6 0.797 8.635 1.639 1.00 40.22 H new ATOM 64 N GLU A 7 2.309 9.239 -0.912 1.00 40.40 N ATOM 65 CA GLU A 7 2.814 8.778 -2.200 1.00 12.15 C ATOM 66 C GLU A 7 4.248 9.251 -2.423 1.00 51.21 C ATOM 67 O GLU A 7 4.875 8.913 -3.426 1.00 21.41 O ATOM 68 CB GLU A 7 1.917 9.280 -3.333 1.00 43.22 C ATOM 69 CG GLU A 7 1.666 10.778 -3.293 1.00 35.11 C ATOM 70 CD GLU A 7 1.056 11.303 -4.578 1.00 70.21 C ATOM 71 OE1 GLU A 7 1.814 11.518 -5.548 1.00 72.12 O1- ATOM 72 OE2 GLU A 7 -0.177 11.498 -4.615 1.00 64.44 O ATOM 0 H GLU A 7 1.940 10.190 -0.919 1.00 40.40 H new ATOM 0 HA GLU A 7 2.806 7.688 -2.196 1.00 12.15 H new ATOM 0 HB2 GLU A 7 2.374 9.022 -4.288 1.00 43.22 H new ATOM 0 HB3 GLU A 7 0.961 8.759 -3.286 1.00 43.22 H new ATOM 0 HG2 GLU A 7 1.003 11.009 -2.460 1.00 35.11 H new ATOM 0 HG3 GLU A 7 2.607 11.295 -3.104 1.00 35.11 H new ATOM 79 N SER A 8 4.759 10.037 -1.480 1.00 30.32 N ATOM 80 CA SER A 8 6.117 10.560 -1.574 1.00 50.54 C ATOM 81 C SER A 8 6.809 10.527 -0.215 1.00 74.54 C ATOM 82 O SER A 8 6.157 10.415 0.823 1.00 32.03 O ATOM 83 CB SER A 8 6.097 11.992 -2.114 1.00 2.22 C ATOM 84 OG SER A 8 5.097 12.764 -1.474 1.00 41.42 O ATOM 0 H SER A 8 4.253 10.325 -0.643 1.00 30.32 H new ATOM 0 HA SER A 8 6.677 9.926 -2.262 1.00 50.54 H new ATOM 0 HB2 SER A 8 7.072 12.455 -1.961 1.00 2.22 H new ATOM 0 HB3 SER A 8 5.916 11.976 -3.189 1.00 2.22 H new ATOM 0 HG SER A 8 5.106 13.675 -1.835 1.00 41.42 H new ATOM 90 N LYS A 9 8.133 10.623 -0.230 1.00 25.14 N ATOM 91 CA LYS A 9 8.915 10.605 1.000 1.00 4.14 C ATOM 92 C LYS A 9 10.290 11.231 0.781 1.00 50.55 C ATOM 93 O LYS A 9 10.576 11.760 -0.295 1.00 2.11 O ATOM 94 CB LYS A 9 9.073 9.170 1.507 1.00 2.34 C ATOM 95 CG LYS A 9 10.146 8.380 0.777 1.00 10.32 C ATOM 96 CD LYS A 9 9.778 8.155 -0.679 1.00 40.34 C ATOM 97 CE LYS A 9 8.450 7.427 -0.813 1.00 14.34 C ATOM 98 NZ LYS A 9 8.413 6.184 0.007 1.00 60.34 N1+ ATOM 0 H LYS A 9 8.688 10.714 -1.081 1.00 25.14 H new ATOM 0 HA LYS A 9 8.382 11.193 1.748 1.00 4.14 H new ATOM 0 HB2 LYS A 9 9.312 9.194 2.570 1.00 2.34 H new ATOM 0 HB3 LYS A 9 8.120 8.651 1.406 1.00 2.34 H new ATOM 0 HG2 LYS A 9 11.095 8.913 0.835 1.00 10.32 H new ATOM 0 HG3 LYS A 9 10.290 7.418 1.270 1.00 10.32 H new ATOM 0 HD2 LYS A 9 9.721 9.114 -1.193 1.00 40.34 H new ATOM 0 HD3 LYS A 9 10.562 7.577 -1.168 1.00 40.34 H new ATOM 0 HE2 LYS A 9 7.640 8.089 -0.506 1.00 14.34 H new ATOM 0 HE3 LYS A 9 8.277 7.177 -1.860 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 7.585 5.615 -0.263 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 9.280 5.634 -0.157 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 8.348 6.434 1.014 1.00 60.34 H new ATOM 112 N CYS A 10 11.135 11.166 1.803 1.00 54.34 N ATOM 113 CA CYS A 10 12.478 11.727 1.721 1.00 63.03 C ATOM 114 C CYS A 10 13.203 11.221 0.477 1.00 10.52 C ATOM 115 O CYS A 10 12.892 10.161 -0.065 1.00 12.21 O ATOM 116 CB CYS A 10 13.280 11.369 2.973 1.00 2.32 C ATOM 117 SG CYS A 10 13.224 9.616 3.410 1.00 4.01 S ATOM 0 H CYS A 10 10.914 10.730 2.698 1.00 54.34 H new ATOM 0 HA CYS A 10 12.389 12.811 1.653 1.00 63.03 H new ATOM 0 HB2 CYS A 10 14.319 11.662 2.822 1.00 2.32 H new ATOM 0 HB3 CYS A 10 12.903 11.954 3.812 1.00 2.32 H new ATOM 0 HG CYS A 10 14.416 9.106 3.311 1.00 4.01 H new ATOM 123 N PRO A 11 14.193 11.998 0.012 1.00 53.44 N ATOM 124 CA PRO A 11 14.982 11.650 -1.173 1.00 54.45 C ATOM 125 C PRO A 11 15.900 10.458 -0.929 1.00 45.03 C ATOM 126 O PRO A 11 16.149 9.659 -1.832 1.00 23.34 O ATOM 127 CB PRO A 11 15.804 12.915 -1.435 1.00 72.55 C ATOM 128 CG PRO A 11 15.903 13.584 -0.109 1.00 3.34 C ATOM 129 CD PRO A 11 14.618 13.276 0.608 1.00 61.21 C ATOM 0 HA PRO A 11 14.351 11.354 -2.011 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.790 12.671 -1.830 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.317 13.559 -2.168 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.761 13.213 0.452 1.00 3.34 H new ATOM 0 HG3 PRO A 11 16.038 14.660 -0.224 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.769 13.187 1.684 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.875 14.058 0.454 1.00 61.21 H new ATOM 137 N LEU A 12 16.401 10.345 0.296 1.00 63.12 N ATOM 138 CA LEU A 12 17.293 9.249 0.660 1.00 52.33 C ATOM 139 C LEU A 12 16.791 8.530 1.907 1.00 2.43 C ATOM 140 O LEU A 12 16.379 9.165 2.877 1.00 13.02 O ATOM 141 CB LEU A 12 18.710 9.775 0.895 1.00 40.22 C ATOM 142 CG LEU A 12 19.665 8.828 1.622 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.209 7.780 0.666 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.803 9.608 2.264 1.00 15.23 C ATOM 0 H LEU A 12 16.205 10.999 1.054 1.00 63.12 H new ATOM 0 HA LEU A 12 17.309 8.537 -0.165 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.147 10.028 -0.071 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.642 10.700 1.467 1.00 40.22 H new ATOM 0 HG LEU A 12 19.110 8.318 2.409 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.887 7.115 1.202 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.383 7.200 0.253 1.00 73.42 H new ATOM 0 HD13 LEU A 12 20.748 8.271 -0.144 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.473 8.918 2.777 1.00 15.23 H new ATOM 0 HD22 LEU A 12 21.356 10.145 1.493 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.396 10.320 2.982 1.00 15.23 H new ATOM 156 N MET A 13 16.832 7.202 1.876 1.00 61.20 N ATOM 157 CA MET A 13 16.384 6.397 3.006 1.00 22.34 C ATOM 158 C MET A 13 17.297 5.191 3.210 1.00 2.51 C ATOM 159 O MET A 13 17.861 4.659 2.255 1.00 53.15 O ATOM 160 CB MET A 13 14.944 5.930 2.790 1.00 74.34 C ATOM 161 CG MET A 13 14.777 5.012 1.590 1.00 62.10 C ATOM 162 SD MET A 13 13.480 3.783 1.831 1.00 31.34 S ATOM 163 CE MET A 13 14.207 2.771 3.118 1.00 60.31 C ATOM 0 H MET A 13 17.171 6.661 1.081 1.00 61.20 H new ATOM 0 HA MET A 13 16.425 7.018 3.901 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.601 5.411 3.685 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.303 6.802 2.662 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.546 5.611 0.709 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.721 4.504 1.392 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.216 1.729 2.800 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.228 3.101 3.307 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.620 2.867 4.031 1.00 60.31 H new ATOM 173 N VAL A 14 17.437 4.766 4.462 1.00 21.22 N ATOM 174 CA VAL A 14 18.280 3.623 4.790 1.00 2.34 C ATOM 175 C VAL A 14 17.441 2.381 5.066 1.00 34.21 C ATOM 176 O VAL A 14 16.430 2.445 5.766 1.00 35.53 O ATOM 177 CB VAL A 14 19.165 3.913 6.018 1.00 44.00 C ATOM 178 CG1 VAL A 14 19.978 2.683 6.393 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.075 5.101 5.750 1.00 44.55 C ATOM 0 H VAL A 14 16.978 5.196 5.265 1.00 21.22 H new ATOM 0 HA VAL A 14 18.918 3.442 3.925 1.00 2.34 H new ATOM 0 HB VAL A 14 18.518 4.162 6.859 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.597 2.907 7.262 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.304 1.860 6.630 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.617 2.400 5.556 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.693 5.291 6.628 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.716 4.883 4.896 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.470 5.982 5.534 1.00 44.55 H new ATOM 189 N LYS A 15 17.864 1.252 4.509 1.00 20.03 N ATOM 190 CA LYS A 15 17.153 -0.007 4.695 1.00 34.30 C ATOM 191 C LYS A 15 18.092 -1.092 5.213 1.00 62.02 C ATOM 192 O LYS A 15 18.986 -1.546 4.499 1.00 61.44 O ATOM 193 CB LYS A 15 16.516 -0.456 3.378 1.00 53.00 C ATOM 194 CG LYS A 15 15.929 -1.856 3.431 1.00 15.14 C ATOM 195 CD LYS A 15 14.762 -1.934 4.402 1.00 41.01 C ATOM 196 CE LYS A 15 15.159 -2.628 5.697 1.00 63.11 C ATOM 197 NZ LYS A 15 14.070 -3.501 6.215 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.697 1.183 3.924 1.00 20.03 H new ATOM 0 HA LYS A 15 16.369 0.154 5.435 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.730 0.248 3.106 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.267 -0.416 2.589 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.596 -2.150 2.436 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.701 -2.564 3.731 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.403 -0.929 4.622 1.00 41.01 H new ATOM 0 HD3 LYS A 15 13.936 -2.473 3.937 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.055 -3.226 5.529 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.412 -1.879 6.447 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.213 -3.669 7.231 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.152 -3.036 6.067 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.083 -4.410 5.709 1.00 53.54 H new ATOM 211 N VAL A 16 17.883 -1.504 6.459 1.00 25.51 N ATOM 212 CA VAL A 16 18.710 -2.537 7.072 1.00 72.30 C ATOM 213 C VAL A 16 17.856 -3.694 7.581 1.00 42.30 C ATOM 214 O VAL A 16 16.985 -3.509 8.431 1.00 53.32 O ATOM 215 CB VAL A 16 19.539 -1.974 8.239 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.350 -3.078 8.902 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.447 -0.852 7.755 1.00 21.20 C ATOM 0 H VAL A 16 17.148 -1.138 7.064 1.00 25.51 H new ATOM 0 HA VAL A 16 19.387 -2.901 6.299 1.00 72.30 H new ATOM 0 HB VAL A 16 18.855 -1.563 8.982 1.00 4.53 H new ATOM 0 HG11 VAL A 16 20.930 -2.660 9.725 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.676 -3.844 9.285 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.026 -3.522 8.171 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.026 -0.465 8.594 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.125 -1.236 6.992 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.841 -0.051 7.332 1.00 21.20 H new ATOM 227 N LEU A 17 18.112 -4.887 7.057 1.00 45.53 N ATOM 228 CA LEU A 17 17.368 -6.075 7.458 1.00 34.25 C ATOM 229 C LEU A 17 18.297 -7.276 7.603 1.00 35.30 C ATOM 230 O LEU A 17 19.332 -7.358 6.940 1.00 14.24 O ATOM 231 CB LEU A 17 16.271 -6.384 6.437 1.00 4.15 C ATOM 232 CG LEU A 17 16.688 -7.246 5.245 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.307 -8.700 5.478 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.055 -6.726 3.963 1.00 44.01 C ATOM 0 H LEU A 17 18.830 -5.057 6.353 1.00 45.53 H new ATOM 0 HA LEU A 17 16.908 -5.876 8.426 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.452 -6.885 6.954 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.879 -5.440 6.058 1.00 4.15 H new ATOM 0 HG LEU A 17 17.771 -7.188 5.141 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.612 -9.298 4.619 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.808 -9.069 6.373 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.228 -8.777 5.609 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.363 -7.352 3.125 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.969 -6.753 4.056 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.379 -5.700 3.788 1.00 44.01 H new ATOM 246 N ASP A 18 17.920 -8.208 8.471 1.00 35.22 N ATOM 247 CA ASP A 18 18.717 -9.408 8.701 1.00 62.01 C ATOM 248 C ASP A 18 18.495 -10.428 7.589 1.00 31.11 C ATOM 249 O ASP A 18 17.359 -10.767 7.262 1.00 73.51 O ATOM 250 CB ASP A 18 18.368 -10.026 10.055 1.00 12.00 C ATOM 251 CG ASP A 18 16.872 -10.119 10.281 1.00 12.43 C ATOM 252 OD1 ASP A 18 16.232 -10.998 9.667 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 16.340 -9.312 11.073 1.00 41.53 O ATOM 0 H ASP A 18 17.067 -8.156 9.028 1.00 35.22 H new ATOM 0 HA ASP A 18 19.769 -9.122 8.702 1.00 62.01 H new ATOM 0 HB2 ASP A 18 18.805 -11.023 10.120 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.816 -9.429 10.850 1.00 12.00 H new ATOM 258 N ALA A 19 19.590 -10.914 7.011 1.00 34.14 N ATOM 259 CA ALA A 19 19.515 -11.897 5.938 1.00 74.24 C ATOM 260 C ALA A 19 19.296 -13.301 6.492 1.00 42.11 C ATOM 261 O ALA A 19 19.096 -14.253 5.738 1.00 25.21 O ATOM 262 CB ALA A 19 20.778 -11.852 5.092 1.00 45.22 C ATOM 0 H ALA A 19 20.539 -10.642 7.269 1.00 34.14 H new ATOM 0 HA ALA A 19 18.661 -11.647 5.309 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.708 -12.592 4.294 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.889 -10.859 4.657 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.643 -12.073 5.717 1.00 45.22 H new ATOM 268 N VAL A 20 19.336 -13.422 7.815 1.00 34.04 N ATOM 269 CA VAL A 20 19.142 -14.710 8.470 1.00 21.35 C ATOM 270 C VAL A 20 17.660 -15.037 8.613 1.00 44.04 C ATOM 271 O VAL A 20 17.232 -16.158 8.337 1.00 43.12 O ATOM 272 CB VAL A 20 19.797 -14.735 9.864 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.756 -16.138 10.449 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.227 -14.222 9.789 1.00 3.13 C ATOM 0 H VAL A 20 19.501 -12.644 8.454 1.00 34.04 H new ATOM 0 HA VAL A 20 19.618 -15.460 7.838 1.00 21.35 H new ATOM 0 HB VAL A 20 19.232 -14.076 10.523 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.223 -16.135 11.434 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.720 -16.464 10.540 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.295 -16.822 9.793 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.675 -14.246 10.782 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.805 -14.854 9.115 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.227 -13.198 9.416 1.00 3.13 H new ATOM 284 N ARG A 21 16.881 -14.051 9.043 1.00 13.31 N ATOM 285 CA ARG A 21 15.445 -14.234 9.222 1.00 41.52 C ATOM 286 C ARG A 21 14.665 -13.516 8.125 1.00 40.44 C ATOM 287 O ARG A 21 13.582 -13.950 7.734 1.00 1.41 O ATOM 288 CB ARG A 21 15.010 -13.717 10.594 1.00 42.31 C ATOM 289 CG ARG A 21 15.981 -14.064 11.712 1.00 55.31 C ATOM 290 CD ARG A 21 16.818 -12.861 12.117 1.00 11.13 C ATOM 291 NE ARG A 21 17.134 -12.869 13.543 1.00 51.30 N ATOM 292 CZ ARG A 21 17.499 -11.787 14.221 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.594 -10.616 13.607 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 17.770 -11.875 15.517 1.00 1.52 N ATOM 0 H ARG A 21 17.219 -13.117 9.274 1.00 13.31 H new ATOM 0 HA ARG A 21 15.229 -15.301 9.159 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.897 -12.634 10.546 1.00 42.31 H new ATOM 0 HB3 ARG A 21 14.030 -14.129 10.834 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.427 -14.430 12.576 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.637 -14.872 11.388 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.743 -12.853 11.541 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.280 -11.946 11.870 1.00 11.13 H new ATOM 0 HE ARG A 21 17.071 -13.754 14.046 1.00 51.30 H new ATOM 0 HH11 ARG A 21 17.386 -10.544 12.611 1.00 72.23 H new ATOM 0 HH12 ARG A 21 17.875 -9.787 14.131 1.00 72.23 H new ATOM 0 HH21 ARG A 21 17.698 -12.774 15.993 1.00 1.52 H new ATOM 0 HH22 ARG A 21 18.050 -11.043 16.037 1.00 1.52 H new ATOM 308 N GLY A 22 15.224 -12.414 7.632 1.00 74.32 N ATOM 309 CA GLY A 22 14.566 -11.653 6.586 1.00 71.21 C ATOM 310 C GLY A 22 13.729 -10.515 7.135 1.00 53.11 C ATOM 311 O GLY A 22 12.880 -9.965 6.434 1.00 34.42 O ATOM 0 H GLY A 22 16.120 -12.035 7.938 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.317 -11.252 5.906 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.930 -12.319 6.002 1.00 71.21 H new ATOM 315 N SER A 23 13.968 -10.161 8.394 1.00 51.51 N ATOM 316 CA SER A 23 13.226 -9.084 9.039 1.00 3.34 C ATOM 317 C SER A 23 14.107 -7.851 9.223 1.00 32.43 C ATOM 318 O SER A 23 15.334 -7.919 9.157 1.00 43.34 O ATOM 319 CB SER A 23 12.688 -9.547 10.394 1.00 71.44 C ATOM 320 OG SER A 23 13.170 -10.840 10.719 1.00 35.11 O ATOM 0 H SER A 23 14.669 -10.604 8.987 1.00 51.51 H new ATOM 0 HA SER A 23 12.388 -8.817 8.395 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.985 -8.839 11.168 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.598 -9.556 10.372 1.00 71.44 H new ATOM 0 HG SER A 23 12.813 -11.113 11.590 1.00 35.11 H new ATOM 326 N PRO A 24 13.466 -6.698 9.461 1.00 34.11 N ATOM 327 CA PRO A 24 14.171 -5.428 9.661 1.00 75.01 C ATOM 328 C PRO A 24 14.934 -5.389 10.980 1.00 32.44 C ATOM 329 O PRO A 24 14.499 -5.967 11.977 1.00 65.23 O ATOM 330 CB PRO A 24 13.043 -4.394 9.665 1.00 55.43 C ATOM 331 CG PRO A 24 11.834 -5.152 10.096 1.00 2.33 C ATOM 332 CD PRO A 24 12.004 -6.544 9.554 1.00 25.13 C ATOM 0 HA PRO A 24 14.925 -5.255 8.893 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.261 -3.574 10.349 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.904 -3.956 8.677 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.748 -5.164 11.182 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.925 -4.691 9.709 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.563 -7.289 10.216 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.525 -6.658 8.581 1.00 25.13 H new ATOM 340 N ALA A 25 16.072 -4.704 10.981 1.00 41.01 N ATOM 341 CA ALA A 25 16.894 -4.587 12.179 1.00 63.44 C ATOM 342 C ALA A 25 16.538 -3.334 12.970 1.00 30.11 C ATOM 343 O ALA A 25 16.372 -2.255 12.399 1.00 75.14 O ATOM 344 CB ALA A 25 18.369 -4.579 11.808 1.00 64.11 C ATOM 0 H ALA A 25 16.446 -4.221 10.164 1.00 41.01 H new ATOM 0 HA ALA A 25 16.695 -5.452 12.812 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.971 -4.491 12.712 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.620 -5.507 11.294 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.575 -3.733 11.152 1.00 64.11 H new ATOM 350 N ILE A 26 16.422 -3.482 14.285 1.00 43.00 N ATOM 351 CA ILE A 26 16.086 -2.361 15.153 1.00 13.15 C ATOM 352 C ILE A 26 17.306 -1.884 15.932 1.00 11.44 C ATOM 353 O ILE A 26 18.101 -2.689 16.415 1.00 75.40 O ATOM 354 CB ILE A 26 14.970 -2.734 16.147 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.598 -2.415 15.550 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.165 -1.996 17.463 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.154 -0.987 15.782 1.00 11.12 C ATOM 0 H ILE A 26 16.556 -4.368 14.773 1.00 43.00 H new ATOM 0 HA ILE A 26 15.733 -1.557 14.507 1.00 13.15 H new ATOM 0 HB ILE A 26 15.020 -3.805 16.342 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.623 -2.609 14.478 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.858 -3.091 15.979 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.369 -2.270 18.155 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.129 -2.268 17.893 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.137 -0.921 17.285 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.173 -0.833 15.332 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.096 -0.794 16.853 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.873 -0.304 15.329 1.00 11.12 H new ATOM 369 N ASN A 27 17.448 -0.568 16.052 1.00 72.15 N ATOM 370 CA ASN A 27 18.572 0.018 16.774 1.00 74.24 C ATOM 371 C ASN A 27 19.894 -0.337 16.103 1.00 65.44 C ATOM 372 O ASN A 27 20.766 -0.958 16.712 1.00 74.45 O ATOM 373 CB ASN A 27 18.578 -0.464 18.226 1.00 42.11 C ATOM 374 CG ASN A 27 17.239 -0.265 18.908 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.791 -1.111 19.681 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.591 0.859 18.623 1.00 65.05 N ATOM 0 H ASN A 27 16.799 0.113 15.659 1.00 72.15 H new ATOM 0 HA ASN A 27 18.457 1.102 16.758 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.843 -1.521 18.254 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.348 0.072 18.781 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.685 1.048 19.051 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.000 1.533 17.976 1.00 65.05 H new ATOM 383 N VAL A 28 20.038 0.061 14.843 1.00 63.23 N ATOM 384 CA VAL A 28 21.255 -0.214 14.088 1.00 64.00 C ATOM 385 C VAL A 28 21.970 1.079 13.710 1.00 62.33 C ATOM 386 O VAL A 28 21.487 1.848 12.880 1.00 75.42 O ATOM 387 CB VAL A 28 20.953 -1.014 12.807 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.209 -1.168 11.964 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.364 -2.373 13.155 1.00 70.12 C ATOM 0 H VAL A 28 19.327 0.575 14.323 1.00 63.23 H new ATOM 0 HA VAL A 28 21.901 -0.808 14.734 1.00 64.00 H new ATOM 0 HB VAL A 28 20.217 -0.464 12.221 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.975 -1.736 11.063 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.583 -0.183 11.685 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.970 -1.696 12.538 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.157 -2.925 12.238 1.00 70.12 H new ATOM 0 HG22 VAL A 28 21.075 -2.933 13.763 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.438 -2.236 13.713 1.00 70.12 H new ATOM 399 N ALA A 29 23.126 1.310 14.323 1.00 51.31 N ATOM 400 CA ALA A 29 23.911 2.508 14.048 1.00 14.44 C ATOM 401 C ALA A 29 24.241 2.620 12.564 1.00 34.01 C ATOM 402 O ALA A 29 24.784 1.690 11.968 1.00 1.50 O ATOM 403 CB ALA A 29 25.187 2.504 14.877 1.00 51.41 C ATOM 0 H ALA A 29 23.540 0.684 15.013 1.00 51.31 H new ATOM 0 HA ALA A 29 23.313 3.376 14.326 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.763 3.404 14.662 1.00 51.41 H new ATOM 0 HB2 ALA A 29 24.932 2.481 15.937 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.780 1.625 14.627 1.00 51.41 H new ATOM 409 N VAL A 30 23.910 3.763 11.974 1.00 53.05 N ATOM 410 CA VAL A 30 24.171 3.997 10.558 1.00 30.12 C ATOM 411 C VAL A 30 24.691 5.410 10.321 1.00 13.12 C ATOM 412 O VAL A 30 24.101 6.386 10.787 1.00 14.35 O ATOM 413 CB VAL A 30 22.905 3.777 9.709 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.213 3.967 8.232 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.323 2.396 9.968 1.00 21.10 C ATOM 0 H VAL A 30 23.460 4.542 12.454 1.00 53.05 H new ATOM 0 HA VAL A 30 24.932 3.278 10.254 1.00 30.12 H new ATOM 0 HB VAL A 30 22.161 4.519 9.998 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.307 3.808 7.648 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.579 4.980 8.064 1.00 20.24 H new ATOM 0 HG13 VAL A 30 23.974 3.250 7.924 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.429 2.258 9.360 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.060 1.636 9.708 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.062 2.303 11.022 1.00 21.10 H new ATOM 425 N HIS A 31 25.798 5.514 9.594 1.00 64.03 N ATOM 426 CA HIS A 31 26.396 6.810 9.293 1.00 64.42 C ATOM 427 C HIS A 31 26.585 6.986 7.789 1.00 32.44 C ATOM 428 O HIS A 31 27.305 6.218 7.150 1.00 61.22 O ATOM 429 CB HIS A 31 27.741 6.952 10.007 1.00 31.03 C ATOM 430 CG HIS A 31 27.698 6.549 11.450 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.733 5.236 11.867 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.625 7.298 12.576 1.00 62.03 C ATOM 433 CE1 HIS A 31 27.681 5.193 13.185 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.615 6.431 13.640 1.00 41.10 N ATOM 0 H HIS A 31 26.299 4.717 9.202 1.00 64.03 H new ATOM 0 HA HIS A 31 25.719 7.586 9.649 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.484 6.344 9.490 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.073 7.988 9.937 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.583 8.376 12.627 1.00 62.03 H new ATOM 0 HE1 HIS A 31 27.691 4.298 13.789 1.00 20.24 H new ATOM 0 HE2 HIS A 31 27.565 6.699 14.623 1.00 41.10 H new ATOM 442 N VAL A 32 25.933 8.000 7.231 1.00 24.00 N ATOM 443 CA VAL A 32 26.029 8.277 5.802 1.00 4.03 C ATOM 444 C VAL A 32 27.078 9.347 5.519 1.00 11.32 C ATOM 445 O VAL A 32 27.163 10.352 6.226 1.00 31.44 O ATOM 446 CB VAL A 32 24.676 8.735 5.227 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.709 8.717 3.707 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.550 7.860 5.754 1.00 32.45 C ATOM 0 H VAL A 32 25.332 8.644 7.746 1.00 24.00 H new ATOM 0 HA VAL A 32 26.324 7.346 5.318 1.00 4.03 H new ATOM 0 HB VAL A 32 24.491 9.759 5.551 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.744 9.044 3.318 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.490 9.390 3.352 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.916 7.705 3.360 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.601 8.198 5.337 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.726 6.825 5.462 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.514 7.929 6.841 1.00 32.45 H new ATOM 458 N PHE A 33 27.876 9.126 4.479 1.00 51.12 N ATOM 459 CA PHE A 33 28.920 10.071 4.102 1.00 51.45 C ATOM 460 C PHE A 33 28.865 10.374 2.608 1.00 55.55 C ATOM 461 O PHE A 33 28.212 9.664 1.842 1.00 10.22 O ATOM 462 CB PHE A 33 30.297 9.516 4.471 1.00 10.20 C ATOM 463 CG PHE A 33 30.614 9.623 5.935 1.00 4.40 C ATOM 464 CD1 PHE A 33 29.973 8.814 6.857 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.554 10.535 6.389 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.262 8.910 8.205 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.849 10.635 7.735 1.00 73.04 C ATOM 468 CZ PHE A 33 31.201 9.822 8.645 1.00 5.30 C ATOM 0 H PHE A 33 27.819 8.300 3.883 1.00 51.12 H new ATOM 0 HA PHE A 33 28.751 10.998 4.649 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.350 8.469 4.172 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.059 10.049 3.903 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.238 8.099 6.519 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.062 11.175 5.682 1.00 65.40 H new ATOM 0 HE1 PHE A 33 29.754 8.273 8.914 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.585 11.348 8.076 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.428 9.900 9.698 1.00 5.30 H new ATOM 478 N ARG A 34 29.554 11.436 2.200 1.00 64.43 N ATOM 479 CA ARG A 34 29.582 11.835 0.798 1.00 65.22 C ATOM 480 C ARG A 34 31.017 12.047 0.321 1.00 15.34 C ATOM 481 O ARG A 34 31.899 12.389 1.109 1.00 10.42 O ATOM 482 CB ARG A 34 28.771 13.115 0.594 1.00 44.03 C ATOM 483 CG ARG A 34 28.695 13.563 -0.857 1.00 42.14 C ATOM 484 CD ARG A 34 29.653 14.711 -1.136 1.00 65.22 C ATOM 485 NE ARG A 34 29.369 15.364 -2.411 1.00 22.33 N ATOM 486 CZ ARG A 34 29.585 14.795 -3.593 1.00 13.23 C ATOM 487 NH1 ARG A 34 30.083 13.569 -3.660 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.300 15.453 -4.709 1.00 1.52 N ATOM 0 H ARG A 34 30.099 12.035 2.820 1.00 64.43 H new ATOM 0 HA ARG A 34 29.137 11.033 0.209 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.760 12.959 0.971 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.213 13.914 1.189 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.931 12.724 -1.511 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.676 13.873 -1.091 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.586 15.443 -0.331 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.676 14.336 -1.141 1.00 65.22 H new ATOM 0 HE ARG A 34 28.984 16.308 -2.394 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.301 13.060 -2.804 1.00 32.51 H new ATOM 0 HH12 ARG A 34 30.248 13.134 -4.568 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.915 16.396 -4.661 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.466 15.016 -5.615 1.00 1.52 H new ATOM 502 N LYS A 35 31.243 11.842 -0.971 1.00 52.41 N ATOM 503 CA LYS A 35 32.569 12.012 -1.553 1.00 13.50 C ATOM 504 C LYS A 35 32.968 13.484 -1.577 1.00 22.12 C ATOM 505 O LYS A 35 32.433 14.270 -2.359 1.00 23.40 O ATOM 506 CB LYS A 35 32.602 11.441 -2.972 1.00 52.13 C ATOM 507 CG LYS A 35 33.728 11.999 -3.827 1.00 14.31 C ATOM 508 CD LYS A 35 35.090 11.653 -3.248 1.00 53.52 C ATOM 509 CE LYS A 35 35.386 10.167 -3.369 1.00 23.31 C ATOM 510 NZ LYS A 35 36.342 9.880 -4.474 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.524 11.557 -1.636 1.00 52.41 H new ATOM 0 HA LYS A 35 33.283 11.470 -0.933 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.703 10.357 -2.916 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.650 11.648 -3.460 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.650 11.601 -4.839 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.627 13.082 -3.902 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.862 12.222 -3.766 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.126 11.948 -2.199 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.798 9.801 -2.428 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.457 9.625 -3.543 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.518 8.856 -4.524 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.939 10.206 -5.375 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.238 10.377 -4.296 1.00 21.52 H new ATOM 524 N ALA A 36 33.912 13.850 -0.716 1.00 11.43 N ATOM 525 CA ALA A 36 34.385 15.227 -0.641 1.00 5.53 C ATOM 526 C ALA A 36 35.210 15.591 -1.871 1.00 3.33 C ATOM 527 O ALA A 36 35.755 14.718 -2.545 1.00 43.41 O ATOM 528 CB ALA A 36 35.201 15.437 0.626 1.00 65.22 C ATOM 0 H ALA A 36 34.364 13.212 -0.061 1.00 11.43 H new ATOM 0 HA ALA A 36 33.515 15.883 -0.612 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.548 16.470 0.669 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.581 15.226 1.497 1.00 65.22 H new ATOM 0 HB3 ALA A 36 36.060 14.766 0.621 1.00 65.22 H new ATOM 534 N ALA A 37 35.298 16.887 -2.156 1.00 31.41 N ATOM 535 CA ALA A 37 36.058 17.366 -3.303 1.00 53.45 C ATOM 536 C ALA A 37 37.528 16.977 -3.189 1.00 42.42 C ATOM 537 O ALA A 37 38.256 16.968 -4.183 1.00 11.14 O ATOM 538 CB ALA A 37 35.917 18.875 -3.436 1.00 43.21 C ATOM 0 H ALA A 37 34.852 17.623 -1.608 1.00 31.41 H new ATOM 0 HA ALA A 37 35.654 16.894 -4.199 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.490 19.219 -4.297 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.867 19.132 -3.573 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.293 19.357 -2.534 1.00 43.21 H new ATOM 544 N ASP A 38 37.958 16.659 -1.974 1.00 21.45 N ATOM 545 CA ASP A 38 39.342 16.269 -1.730 1.00 71.21 C ATOM 546 C ASP A 38 39.490 14.750 -1.751 1.00 42.43 C ATOM 547 O ASP A 38 40.486 14.208 -1.272 1.00 64.32 O ATOM 548 CB ASP A 38 39.821 16.822 -0.387 1.00 40.43 C ATOM 549 CG ASP A 38 40.484 18.179 -0.524 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.208 18.877 -1.522 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.280 18.542 0.368 1.00 52.21 O1- ATOM 0 H ASP A 38 37.368 16.663 -1.142 1.00 21.45 H new ATOM 0 HA ASP A 38 39.958 16.687 -2.526 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.973 16.902 0.293 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.524 16.121 0.062 1.00 40.43 H new ATOM 556 N ASP A 39 38.493 14.072 -2.308 1.00 23.33 N ATOM 557 CA ASP A 39 38.513 12.616 -2.391 1.00 64.41 C ATOM 558 C ASP A 39 38.475 11.991 -0.999 1.00 62.43 C ATOM 559 O ASP A 39 39.152 10.996 -0.734 1.00 42.41 O ATOM 560 CB ASP A 39 39.759 12.143 -3.142 1.00 53.30 C ATOM 561 CG ASP A 39 40.147 13.081 -4.268 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.445 13.093 -5.300 1.00 1.24 O ATOM 563 OD2 ASP A 39 41.154 13.805 -4.115 1.00 73.02 O1- ATOM 0 H ASP A 39 37.662 14.506 -2.708 1.00 23.33 H new ATOM 0 HA ASP A 39 37.626 12.296 -2.938 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.590 12.056 -2.442 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.579 11.148 -3.548 1.00 53.30 H new ATOM 568 N THR A 40 37.680 12.582 -0.113 1.00 24.15 N ATOM 569 CA THR A 40 37.556 12.085 1.253 1.00 43.05 C ATOM 570 C THR A 40 36.106 11.757 1.588 1.00 61.51 C ATOM 571 O THR A 40 35.217 11.903 0.749 1.00 34.22 O ATOM 572 CB THR A 40 38.088 13.109 2.273 1.00 44.50 C ATOM 573 OG1 THR A 40 37.137 14.165 2.448 1.00 41.21 O ATOM 574 CG2 THR A 40 39.418 13.689 1.815 1.00 21.33 C ATOM 0 H THR A 40 37.112 13.405 -0.316 1.00 24.15 H new ATOM 0 HA THR A 40 38.155 11.176 1.315 1.00 43.05 H new ATOM 0 HB THR A 40 38.241 12.597 3.223 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.482 14.811 3.099 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.774 14.410 2.552 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.148 12.887 1.710 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.286 14.187 0.854 1.00 21.33 H new ATOM 582 N TRP A 41 35.874 11.313 2.818 1.00 45.03 N ATOM 583 CA TRP A 41 34.530 10.964 3.263 1.00 2.42 C ATOM 584 C TRP A 41 33.977 12.027 4.207 1.00 70.44 C ATOM 585 O TRP A 41 34.396 12.125 5.359 1.00 32.21 O ATOM 586 CB TRP A 41 34.539 9.602 3.960 1.00 70.13 C ATOM 587 CG TRP A 41 34.649 8.450 3.008 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.269 8.447 1.791 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.120 7.132 3.193 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.159 7.207 1.209 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.458 6.382 2.050 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.396 6.512 4.214 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.096 5.047 1.901 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.036 5.186 4.065 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.388 4.464 2.917 1.00 75.05 C ATOM 0 H TRP A 41 36.599 11.186 3.524 1.00 45.03 H new ATOM 0 HA TRP A 41 33.885 10.912 2.386 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.373 9.566 4.661 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.626 9.495 4.545 1.00 70.13 H new ATOM 0 HD1 TRP A 41 35.772 9.295 1.351 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.537 6.943 0.299 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.122 7.059 5.104 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.364 4.490 1.015 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.474 4.698 4.847 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.095 3.428 2.832 1.00 75.05 H new ATOM 606 N GLU A 42 33.034 12.821 3.709 1.00 73.10 N ATOM 607 CA GLU A 42 32.424 13.876 4.508 1.00 54.20 C ATOM 608 C GLU A 42 31.119 13.397 5.139 1.00 4.34 C ATOM 609 O GLU A 42 30.436 12.516 4.618 1.00 73.22 O ATOM 610 CB GLU A 42 32.163 15.114 3.646 1.00 31.41 C ATOM 611 CG GLU A 42 33.406 15.947 3.386 1.00 53.13 C ATOM 612 CD GLU A 42 33.553 17.096 4.364 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.777 18.070 4.257 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.444 17.024 5.236 1.00 64.44 O ATOM 0 H GLU A 42 32.676 12.753 2.756 1.00 73.10 H new ATOM 0 HA GLU A 42 33.118 14.138 5.307 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.740 14.799 2.692 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.415 15.737 4.136 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.287 15.308 3.447 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.369 16.342 2.371 1.00 53.13 H new ATOM 621 N PRO A 43 30.766 13.990 6.289 1.00 54.34 N ATOM 622 CA PRO A 43 29.541 13.642 7.015 1.00 24.43 C ATOM 623 C PRO A 43 28.283 14.091 6.282 1.00 42.40 C ATOM 624 O PRO A 43 28.058 15.286 6.089 1.00 63.02 O ATOM 625 CB PRO A 43 29.688 14.396 8.339 1.00 15.11 C ATOM 626 CG PRO A 43 30.584 15.543 8.024 1.00 23.24 C ATOM 627 CD PRO A 43 31.532 15.049 6.967 1.00 63.44 C ATOM 0 HA PRO A 43 29.429 12.564 7.132 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.722 14.739 8.709 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.118 13.759 9.112 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.012 16.399 7.666 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.125 15.871 8.912 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.815 15.844 6.277 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.453 14.662 7.403 1.00 63.44 H new ATOM 635 N PHE A 44 27.464 13.127 5.874 1.00 23.33 N ATOM 636 CA PHE A 44 26.227 13.424 5.161 1.00 30.03 C ATOM 637 C PHE A 44 25.017 13.242 6.072 1.00 11.52 C ATOM 638 O PHE A 44 24.060 14.014 6.012 1.00 21.02 O ATOM 639 CB PHE A 44 26.095 12.524 3.932 1.00 54.34 C ATOM 640 CG PHE A 44 24.916 12.864 3.065 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.637 12.468 3.422 1.00 23.01 C ATOM 642 CD2 PHE A 44 25.087 13.581 1.890 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.551 12.779 2.627 1.00 44.13 C ATOM 644 CE2 PHE A 44 24.004 13.896 1.091 1.00 24.11 C ATOM 645 CZ PHE A 44 22.736 13.494 1.459 1.00 75.12 C ATOM 0 H PHE A 44 27.635 12.133 6.025 1.00 23.33 H new ATOM 0 HA PHE A 44 26.263 14.465 4.839 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.006 12.597 3.338 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.010 11.487 4.258 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.487 11.909 4.334 1.00 23.01 H new ATOM 0 HD2 PHE A 44 26.077 13.897 1.596 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.560 12.464 2.918 1.00 44.13 H new ATOM 0 HE2 PHE A 44 24.150 14.456 0.179 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.889 13.738 0.835 1.00 75.12 H new ATOM 655 N ALA A 45 25.067 12.216 6.915 1.00 71.23 N ATOM 656 CA ALA A 45 23.975 11.933 7.839 1.00 64.43 C ATOM 657 C ALA A 45 24.356 10.824 8.815 1.00 24.31 C ATOM 658 O ALA A 45 25.434 10.238 8.713 1.00 5.31 O ATOM 659 CB ALA A 45 22.719 11.554 7.071 1.00 55.21 C ATOM 0 H ALA A 45 25.851 11.567 6.977 1.00 71.23 H new ATOM 0 HA ALA A 45 23.776 12.836 8.416 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.912 11.345 7.773 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.429 12.378 6.419 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.914 10.667 6.469 1.00 55.21 H new ATOM 665 N SER A 46 23.466 10.543 9.760 1.00 61.42 N ATOM 666 CA SER A 46 23.711 9.507 10.757 1.00 20.23 C ATOM 667 C SER A 46 22.457 9.240 11.583 1.00 55.20 C ATOM 668 O SER A 46 21.560 10.080 11.661 1.00 65.33 O ATOM 669 CB SER A 46 24.863 9.917 11.675 1.00 30.24 C ATOM 670 OG SER A 46 24.702 9.365 12.972 1.00 45.23 O ATOM 0 H SER A 46 22.568 11.018 9.857 1.00 61.42 H new ATOM 0 HA SER A 46 23.981 8.590 10.234 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.809 9.583 11.249 1.00 30.24 H new ATOM 0 HB3 SER A 46 24.910 11.004 11.742 1.00 30.24 H new ATOM 0 HG SER A 46 25.452 9.640 13.540 1.00 45.23 H new ATOM 676 N GLY A 47 22.400 8.064 12.200 1.00 22.52 N ATOM 677 CA GLY A 47 21.252 7.706 13.012 1.00 13.24 C ATOM 678 C GLY A 47 21.137 6.211 13.227 1.00 23.24 C ATOM 679 O GLY A 47 22.129 5.485 13.146 1.00 53.34 O ATOM 0 H GLY A 47 23.129 7.352 12.152 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.325 8.204 13.979 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.344 8.072 12.533 1.00 13.24 H new ATOM 683 N LYS A 48 19.924 5.746 13.506 1.00 71.53 N ATOM 684 CA LYS A 48 19.681 4.326 13.734 1.00 65.33 C ATOM 685 C LYS A 48 18.445 3.856 12.972 1.00 1.25 C ATOM 686 O LYS A 48 17.419 4.538 12.953 1.00 42.23 O ATOM 687 CB LYS A 48 19.509 4.051 15.229 1.00 75.34 C ATOM 688 CG LYS A 48 20.783 3.591 15.914 1.00 22.40 C ATOM 689 CD LYS A 48 20.549 3.294 17.386 1.00 43.34 C ATOM 690 CE LYS A 48 20.210 4.557 18.162 1.00 30.21 C ATOM 691 NZ LYS A 48 20.955 4.635 19.448 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.093 6.333 13.580 1.00 71.53 H new ATOM 0 HA LYS A 48 20.544 3.771 13.367 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.151 4.957 15.718 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.739 3.291 15.364 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.162 2.698 15.417 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.549 4.360 15.814 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.737 2.574 17.488 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.440 2.832 17.811 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.444 5.431 17.554 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.139 4.584 18.361 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.696 5.510 19.947 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.713 3.815 20.040 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 21.977 4.635 19.257 1.00 35.43 H new ATOM 705 N THR A 49 18.548 2.687 12.349 1.00 51.42 N ATOM 706 CA THR A 49 17.439 2.126 11.588 1.00 70.12 C ATOM 707 C THR A 49 16.235 1.861 12.485 1.00 10.11 C ATOM 708 O THR A 49 16.328 1.956 13.709 1.00 53.44 O ATOM 709 CB THR A 49 17.843 0.814 10.890 1.00 52.42 C ATOM 710 OG1 THR A 49 18.031 -0.220 11.862 1.00 74.22 O ATOM 711 CG2 THR A 49 19.122 1.000 10.086 1.00 34.12 C ATOM 0 H THR A 49 19.389 2.110 12.356 1.00 51.42 H new ATOM 0 HA THR A 49 17.170 2.863 10.832 1.00 70.12 H new ATOM 0 HB THR A 49 17.042 0.530 10.208 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.314 -0.882 11.778 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.388 0.060 9.602 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.967 1.767 9.328 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.929 1.306 10.752 1.00 34.12 H new ATOM 719 N SER A 50 15.106 1.528 11.869 1.00 34.50 N ATOM 720 CA SER A 50 13.882 1.252 12.612 1.00 20.42 C ATOM 721 C SER A 50 13.304 -0.106 12.223 1.00 73.51 C ATOM 722 O SER A 50 13.808 -0.769 11.316 1.00 35.41 O ATOM 723 CB SER A 50 12.848 2.350 12.360 1.00 43.22 C ATOM 724 OG SER A 50 13.277 3.588 12.900 1.00 64.44 O ATOM 0 H SER A 50 15.013 1.443 10.857 1.00 34.50 H new ATOM 0 HA SER A 50 14.128 1.232 13.674 1.00 20.42 H new ATOM 0 HB2 SER A 50 12.679 2.456 11.288 1.00 43.22 H new ATOM 0 HB3 SER A 50 11.895 2.066 12.806 1.00 43.22 H new ATOM 0 HG SER A 50 12.599 4.274 12.724 1.00 64.44 H new ATOM 730 N GLU A 51 12.244 -0.511 12.914 1.00 30.32 N ATOM 731 CA GLU A 51 11.597 -1.790 12.641 1.00 23.23 C ATOM 732 C GLU A 51 10.889 -1.764 11.291 1.00 40.22 C ATOM 733 O GLU A 51 10.408 -2.790 10.810 1.00 52.42 O ATOM 734 CB GLU A 51 10.597 -2.127 13.749 1.00 74.31 C ATOM 735 CG GLU A 51 9.668 -0.977 14.101 1.00 31.32 C ATOM 736 CD GLU A 51 8.204 -1.354 13.985 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.732 -1.555 12.845 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.530 -1.448 15.031 1.00 52.03 O ATOM 0 H GLU A 51 11.815 0.027 13.667 1.00 30.32 H new ATOM 0 HA GLU A 51 12.368 -2.560 12.612 1.00 23.23 H new ATOM 0 HB2 GLU A 51 9.999 -2.984 13.439 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.145 -2.427 14.642 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.875 -0.646 15.119 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.875 -0.133 13.443 1.00 31.32 H new ATOM 745 N SER A 52 10.827 -0.583 10.684 1.00 1.54 N ATOM 746 CA SER A 52 10.173 -0.421 9.391 1.00 44.12 C ATOM 747 C SER A 52 11.200 -0.382 8.264 1.00 3.03 C ATOM 748 O SER A 52 10.851 -0.224 7.095 1.00 54.51 O ATOM 749 CB SER A 52 9.335 0.859 9.376 1.00 55.52 C ATOM 750 OG SER A 52 8.664 1.015 8.138 1.00 34.12 O ATOM 0 H SER A 52 11.222 0.276 11.067 1.00 1.54 H new ATOM 0 HA SER A 52 9.518 -1.278 9.233 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.607 0.830 10.187 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.978 1.721 9.556 1.00 55.52 H new ATOM 0 HG SER A 52 9.213 0.639 7.419 1.00 34.12 H new ATOM 756 N GLY A 53 12.472 -0.529 8.624 1.00 14.45 N ATOM 757 CA GLY A 53 13.531 -0.508 7.634 1.00 40.03 C ATOM 758 C GLY A 53 13.724 0.864 7.018 1.00 14.23 C ATOM 759 O GLY A 53 14.296 0.992 5.937 1.00 21.34 O ATOM 0 H GLY A 53 12.787 -0.662 9.585 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.464 -0.829 8.098 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.303 -1.227 6.847 1.00 40.03 H new ATOM 763 N GLU A 54 13.241 1.893 7.709 1.00 31.13 N ATOM 764 CA GLU A 54 13.361 3.262 7.222 1.00 52.11 C ATOM 765 C GLU A 54 13.900 4.183 8.313 1.00 0.31 C ATOM 766 O GLU A 54 13.571 4.028 9.490 1.00 51.32 O ATOM 767 CB GLU A 54 12.005 3.773 6.732 1.00 40.52 C ATOM 768 CG GLU A 54 10.876 3.553 7.725 1.00 10.03 C ATOM 769 CD GLU A 54 9.604 4.280 7.334 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.692 5.245 6.547 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 8.522 3.884 7.815 1.00 31.31 O ATOM 0 H GLU A 54 12.764 1.804 8.606 1.00 31.13 H new ATOM 0 HA GLU A 54 14.064 3.264 6.389 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.084 4.838 6.515 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.756 3.275 5.795 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.670 2.486 7.804 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.194 3.890 8.711 1.00 10.03 H new ATOM 778 N LEU A 55 14.730 5.139 7.915 1.00 5.54 N ATOM 779 CA LEU A 55 15.317 6.086 8.858 1.00 34.15 C ATOM 780 C LEU A 55 14.888 7.514 8.535 1.00 70.31 C ATOM 781 O LEU A 55 14.649 7.854 7.376 1.00 34.41 O ATOM 782 CB LEU A 55 16.843 5.981 8.834 1.00 4.21 C ATOM 783 CG LEU A 55 17.520 5.737 10.182 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.019 5.553 10.001 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.234 6.885 11.139 1.00 14.12 C ATOM 0 H LEU A 55 15.013 5.280 6.945 1.00 5.54 H new ATOM 0 HA LEU A 55 14.958 5.836 9.856 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.121 5.172 8.159 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.244 6.902 8.410 1.00 4.21 H new ATOM 0 HG LEU A 55 17.111 4.822 10.611 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.484 5.380 10.972 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.205 4.697 9.352 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.444 6.450 9.549 1.00 50.42 H new ATOM 0 HD21 LEU A 55 17.724 6.694 12.094 1.00 14.12 H new ATOM 0 HD22 LEU A 55 17.614 7.815 10.716 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.158 6.970 11.294 1.00 14.12 H new ATOM 797 N HIS A 56 14.796 8.346 9.566 1.00 5.15 N ATOM 798 CA HIS A 56 14.399 9.739 9.392 1.00 13.42 C ATOM 799 C HIS A 56 15.419 10.678 10.029 1.00 51.22 C ATOM 800 O HIS A 56 16.168 10.284 10.921 1.00 34.12 O ATOM 801 CB HIS A 56 13.018 9.978 10.001 1.00 32.12 C ATOM 802 CG HIS A 56 12.887 9.474 11.406 1.00 53.30 C ATOM 803 ND1 HIS A 56 12.845 10.309 12.503 1.00 23.11 N ATOM 804 CD2 HIS A 56 12.788 8.215 11.890 1.00 72.43 C ATOM 805 CE1 HIS A 56 12.727 9.583 13.601 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.689 8.309 13.255 1.00 3.25 N ATOM 0 H HIS A 56 14.991 8.081 10.531 1.00 5.15 H new ATOM 0 HA HIS A 56 14.357 9.948 8.323 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.803 11.047 9.986 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.266 9.493 9.378 1.00 32.12 H new ATOM 0 HD2 HIS A 56 12.787 7.304 11.309 1.00 72.43 H new ATOM 0 HE1 HIS A 56 12.671 9.966 14.609 1.00 1.32 H new ATOM 0 HE2 HIS A 56 12.600 7.522 13.898 1.00 3.25 H new ATOM 814 N GLY A 57 15.441 11.924 9.564 1.00 61.41 N ATOM 815 CA GLY A 57 16.373 12.899 10.099 1.00 74.22 C ATOM 816 C GLY A 57 17.650 12.987 9.287 1.00 32.15 C ATOM 817 O GLY A 57 18.249 14.058 9.173 1.00 74.24 O ATOM 0 H GLY A 57 14.830 12.275 8.827 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.895 13.878 10.125 1.00 74.22 H new ATOM 0 HA3 GLY A 57 16.618 12.636 11.128 1.00 74.22 H new ATOM 821 N LEU A 58 18.070 11.860 8.724 1.00 71.24 N ATOM 822 CA LEU A 58 19.286 11.813 7.919 1.00 13.14 C ATOM 823 C LEU A 58 19.176 12.739 6.712 1.00 72.13 C ATOM 824 O LEU A 58 20.185 13.178 6.159 1.00 54.40 O ATOM 825 CB LEU A 58 19.560 10.381 7.456 1.00 52.25 C ATOM 826 CG LEU A 58 20.354 9.503 8.423 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.498 9.115 9.618 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.875 8.263 7.711 1.00 33.14 C ATOM 0 H LEU A 58 17.587 10.966 8.810 1.00 71.24 H new ATOM 0 HA LEU A 58 20.116 12.152 8.539 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.604 9.896 7.257 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.099 10.423 6.509 1.00 52.25 H new ATOM 0 HG LEU A 58 21.208 10.075 8.786 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.080 8.490 10.295 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.175 10.015 10.142 1.00 71.41 H new ATOM 0 HD13 LEU A 58 18.624 8.562 9.275 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.438 7.649 8.414 1.00 33.14 H new ATOM 0 HD22 LEU A 58 20.035 7.689 7.319 1.00 33.14 H new ATOM 0 HD23 LEU A 58 21.525 8.562 6.889 1.00 33.14 H new ATOM 840 N THR A 59 17.944 13.034 6.309 1.00 63.43 N ATOM 841 CA THR A 59 17.701 13.907 5.168 1.00 22.11 C ATOM 842 C THR A 59 18.474 15.214 5.303 1.00 64.24 C ATOM 843 O THR A 59 18.605 15.761 6.398 1.00 72.41 O ATOM 844 CB THR A 59 16.203 14.225 5.012 1.00 73.42 C ATOM 845 OG1 THR A 59 15.747 14.998 6.127 1.00 35.32 O ATOM 846 CG2 THR A 59 15.387 12.945 4.907 1.00 74.22 C ATOM 0 H THR A 59 17.098 12.680 6.757 1.00 63.43 H new ATOM 0 HA THR A 59 18.045 13.373 4.282 1.00 22.11 H new ATOM 0 HB THR A 59 16.069 14.799 4.095 1.00 73.42 H new ATOM 0 HG1 THR A 59 14.794 15.197 6.019 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.332 13.194 4.797 1.00 74.22 H new ATOM 0 HG22 THR A 59 15.717 12.373 4.039 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.527 12.349 5.809 1.00 74.22 H new ATOM 854 N THR A 60 18.985 15.713 4.180 1.00 12.24 N ATOM 855 CA THR A 60 19.746 16.955 4.174 1.00 43.44 C ATOM 856 C THR A 60 19.636 17.660 2.827 1.00 34.10 C ATOM 857 O THR A 60 19.223 17.060 1.835 1.00 22.23 O ATOM 858 CB THR A 60 21.233 16.707 4.490 1.00 21.12 C ATOM 859 OG1 THR A 60 21.749 15.676 3.641 1.00 74.34 O ATOM 860 CG2 THR A 60 21.417 16.310 5.948 1.00 41.12 C ATOM 0 H THR A 60 18.885 15.275 3.264 1.00 12.24 H new ATOM 0 HA THR A 60 19.319 17.590 4.951 1.00 43.44 H new ATOM 0 HB THR A 60 21.780 17.633 4.310 1.00 21.12 H new ATOM 0 HG1 THR A 60 21.670 14.810 4.093 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.475 16.140 6.148 1.00 41.12 H new ATOM 0 HG22 THR A 60 21.050 17.109 6.592 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.858 15.396 6.150 1.00 41.12 H new ATOM 868 N GLU A 61 20.009 18.936 2.799 1.00 14.50 N ATOM 869 CA GLU A 61 19.950 19.722 1.571 1.00 24.54 C ATOM 870 C GLU A 61 21.140 19.406 0.668 1.00 54.52 C ATOM 871 O GLU A 61 21.147 19.761 -0.510 1.00 63.11 O ATOM 872 CB GLU A 61 19.925 21.217 1.896 1.00 35.23 C ATOM 873 CG GLU A 61 21.055 21.660 2.810 1.00 25.21 C ATOM 874 CD GLU A 61 21.118 23.167 2.972 1.00 70.35 C ATOM 875 OE1 GLU A 61 20.115 23.757 3.424 1.00 33.30 O ATOM 876 OE2 GLU A 61 22.170 23.754 2.645 1.00 13.54 O1- ATOM 0 H GLU A 61 20.355 19.447 3.611 1.00 14.50 H new ATOM 0 HA GLU A 61 19.033 19.458 1.043 1.00 24.54 H new ATOM 0 HB2 GLU A 61 19.978 21.783 0.966 1.00 35.23 H new ATOM 0 HB3 GLU A 61 18.972 21.462 2.365 1.00 35.23 H new ATOM 0 HG2 GLU A 61 20.928 21.198 3.789 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.003 21.301 2.409 1.00 25.21 H new ATOM 883 N GLU A 62 22.143 18.740 1.231 1.00 72.32 N ATOM 884 CA GLU A 62 23.337 18.379 0.476 1.00 31.42 C ATOM 885 C GLU A 62 23.081 17.152 -0.395 1.00 1.45 C ATOM 886 O GLU A 62 23.964 16.702 -1.125 1.00 71.41 O ATOM 887 CB GLU A 62 24.505 18.108 1.427 1.00 1.21 C ATOM 888 CG GLU A 62 24.184 17.096 2.513 1.00 10.03 C ATOM 889 CD GLU A 62 25.426 16.558 3.196 1.00 2.43 C ATOM 890 OE1 GLU A 62 26.352 16.115 2.484 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 25.475 16.583 4.444 1.00 75.13 O ATOM 0 H GLU A 62 22.153 18.440 2.206 1.00 72.32 H new ATOM 0 HA GLU A 62 23.592 19.217 -0.173 1.00 31.42 H new ATOM 0 HB2 GLU A 62 25.357 17.750 0.849 1.00 1.21 H new ATOM 0 HB3 GLU A 62 24.807 19.045 1.894 1.00 1.21 H new ATOM 0 HG2 GLU A 62 23.537 17.561 3.257 1.00 10.03 H new ATOM 0 HG3 GLU A 62 23.625 16.267 2.078 1.00 10.03 H new ATOM 898 N GLU A 63 21.867 16.616 -0.311 1.00 1.55 N ATOM 899 CA GLU A 63 21.495 15.441 -1.090 1.00 2.15 C ATOM 900 C GLU A 63 21.476 15.762 -2.582 1.00 33.05 C ATOM 901 O GLU A 63 21.441 14.861 -3.421 1.00 33.04 O ATOM 902 CB GLU A 63 20.124 14.923 -0.650 1.00 4.33 C ATOM 903 CG GLU A 63 18.972 15.818 -1.073 1.00 54.34 C ATOM 904 CD GLU A 63 18.480 15.512 -2.475 1.00 22.40 C ATOM 905 OE1 GLU A 63 18.463 14.321 -2.849 1.00 61.14 O ATOM 906 OE2 GLU A 63 18.112 16.462 -3.197 1.00 12.13 O1- ATOM 0 H GLU A 63 21.125 16.977 0.289 1.00 1.55 H new ATOM 0 HA GLU A 63 22.241 14.667 -0.912 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.971 13.927 -1.065 1.00 4.33 H new ATOM 0 HB3 GLU A 63 20.114 14.821 0.435 1.00 4.33 H new ATOM 0 HG2 GLU A 63 18.148 15.701 -0.369 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.289 16.860 -1.022 1.00 54.34 H new ATOM 913 N PHE A 64 21.499 17.050 -2.905 1.00 14.24 N ATOM 914 CA PHE A 64 21.482 17.490 -4.294 1.00 42.31 C ATOM 915 C PHE A 64 22.890 17.480 -4.885 1.00 11.50 C ATOM 916 O PHE A 64 23.367 18.493 -5.398 1.00 32.43 O ATOM 917 CB PHE A 64 20.883 18.894 -4.400 1.00 12.40 C ATOM 918 CG PHE A 64 19.381 18.906 -4.393 1.00 41.53 C ATOM 919 CD1 PHE A 64 18.665 18.416 -5.473 1.00 43.22 C ATOM 920 CD2 PHE A 64 18.684 19.410 -3.305 1.00 45.43 C ATOM 921 CE1 PHE A 64 17.283 18.425 -5.470 1.00 2.15 C ATOM 922 CE2 PHE A 64 17.302 19.422 -3.296 1.00 42.01 C ATOM 923 CZ PHE A 64 16.601 18.930 -4.381 1.00 13.33 C ATOM 0 H PHE A 64 21.529 17.808 -2.223 1.00 14.24 H new ATOM 0 HA PHE A 64 20.863 16.795 -4.861 1.00 42.31 H new ATOM 0 HB2 PHE A 64 21.247 19.500 -3.570 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.238 19.364 -5.317 1.00 12.40 H new ATOM 0 HD1 PHE A 64 19.194 18.022 -6.328 1.00 43.22 H new ATOM 0 HD2 PHE A 64 19.227 19.797 -2.456 1.00 45.43 H new ATOM 0 HE1 PHE A 64 16.738 18.038 -6.318 1.00 2.15 H new ATOM 0 HE2 PHE A 64 16.770 19.815 -2.442 1.00 42.01 H new ATOM 0 HZ PHE A 64 15.521 18.941 -4.377 1.00 13.33 H new ATOM 933 N VAL A 65 23.549 16.329 -4.808 1.00 14.35 N ATOM 934 CA VAL A 65 24.901 16.185 -5.333 1.00 53.13 C ATOM 935 C VAL A 65 24.937 15.196 -6.492 1.00 62.20 C ATOM 936 O VAL A 65 23.903 14.678 -6.911 1.00 61.02 O ATOM 937 CB VAL A 65 25.882 15.717 -4.242 1.00 52.31 C ATOM 938 CG1 VAL A 65 26.067 16.800 -3.190 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.394 14.424 -3.607 1.00 75.10 C ATOM 0 H VAL A 65 23.168 15.482 -4.387 1.00 14.35 H new ATOM 0 HA VAL A 65 25.209 17.169 -5.688 1.00 53.13 H new ATOM 0 HB VAL A 65 26.850 15.525 -4.706 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.763 16.451 -2.427 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.464 17.700 -3.660 1.00 53.55 H new ATOM 0 HG13 VAL A 65 25.106 17.026 -2.728 1.00 53.55 H new ATOM 0 HG21 VAL A 65 26.099 14.107 -2.838 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.415 14.587 -3.157 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.318 13.650 -4.370 1.00 75.10 H new ATOM 949 N GLU A 66 26.136 14.936 -7.006 1.00 2.51 N ATOM 950 CA GLU A 66 26.307 14.009 -8.117 1.00 74.43 C ATOM 951 C GLU A 66 25.571 12.699 -7.849 1.00 23.21 C ATOM 952 O GLU A 66 24.935 12.138 -8.741 1.00 2.04 O ATOM 953 CB GLU A 66 27.792 13.733 -8.357 1.00 20.43 C ATOM 954 CG GLU A 66 28.586 14.968 -8.748 1.00 34.14 C ATOM 955 CD GLU A 66 28.567 15.224 -10.242 1.00 41.54 C ATOM 956 OE1 GLU A 66 27.471 15.180 -10.839 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 29.649 15.471 -10.815 1.00 71.33 O ATOM 0 H GLU A 66 27.003 15.355 -6.670 1.00 2.51 H new ATOM 0 HA GLU A 66 25.883 14.469 -9.009 1.00 74.43 H new ATOM 0 HB2 GLU A 66 28.224 13.305 -7.452 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.891 12.984 -9.143 1.00 20.43 H new ATOM 0 HG2 GLU A 66 28.180 15.836 -8.229 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.618 14.852 -8.416 1.00 34.14 H new ATOM 964 N GLY A 67 25.665 12.216 -6.614 1.00 71.33 N ATOM 965 CA GLY A 67 25.005 10.976 -6.250 1.00 61.34 C ATOM 966 C GLY A 67 25.905 10.053 -5.452 1.00 70.12 C ATOM 967 O GLY A 67 25.490 8.965 -5.050 1.00 52.23 O ATOM 0 H GLY A 67 26.187 12.661 -5.859 1.00 71.33 H new ATOM 0 HA2 GLY A 67 24.112 11.201 -5.667 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.675 10.464 -7.154 1.00 61.34 H new ATOM 971 N ILE A 68 27.140 10.486 -5.223 1.00 31.34 N ATOM 972 CA ILE A 68 28.100 9.691 -4.467 1.00 24.21 C ATOM 973 C ILE A 68 27.754 9.675 -2.982 1.00 41.21 C ATOM 974 O ILE A 68 27.799 10.707 -2.313 1.00 52.24 O ATOM 975 CB ILE A 68 29.534 10.224 -4.643 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.839 10.452 -6.125 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.537 9.255 -4.034 1.00 43.11 C ATOM 978 CD1 ILE A 68 31.160 11.148 -6.370 1.00 24.51 C ATOM 0 H ILE A 68 27.499 11.383 -5.550 1.00 31.34 H new ATOM 0 HA ILE A 68 28.047 8.676 -4.860 1.00 24.21 H new ATOM 0 HB ILE A 68 29.617 11.178 -4.123 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.843 9.491 -6.639 1.00 53.05 H new ATOM 0 HG13 ILE A 68 29.038 11.045 -6.565 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.546 9.645 -4.166 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.330 9.138 -2.970 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.455 8.287 -4.529 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.310 11.276 -7.442 1.00 24.51 H new ATOM 0 HD12 ILE A 68 31.152 12.124 -5.885 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.970 10.545 -5.960 1.00 24.51 H new ATOM 990 N TYR A 69 27.411 8.497 -2.473 1.00 43.21 N ATOM 991 CA TYR A 69 27.057 8.346 -1.067 1.00 1.03 C ATOM 992 C TYR A 69 27.619 7.046 -0.499 1.00 42.24 C ATOM 993 O TYR A 69 27.524 5.990 -1.124 1.00 25.42 O ATOM 994 CB TYR A 69 25.537 8.375 -0.896 1.00 41.35 C ATOM 995 CG TYR A 69 24.872 9.546 -1.584 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.139 10.851 -1.190 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.977 9.347 -2.628 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.534 11.924 -1.816 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.368 10.414 -3.260 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.650 11.700 -2.851 1.00 22.23 C ATOM 1001 OH TYR A 69 23.045 12.766 -3.477 1.00 34.52 O ATOM 0 H TYR A 69 27.371 7.633 -3.013 1.00 43.21 H new ATOM 0 HA TYR A 69 27.494 9.180 -0.518 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.118 7.448 -1.288 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.300 8.407 0.167 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.831 11.030 -0.381 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.754 8.341 -2.951 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.752 12.932 -1.497 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.675 10.242 -4.070 1.00 73.53 H new ATOM 0 HH TYR A 69 22.440 13.214 -2.849 1.00 34.52 H new ATOM 1011 N LYS A 70 28.205 7.132 0.690 1.00 53.02 N ATOM 1012 CA LYS A 70 28.781 5.965 1.345 1.00 22.35 C ATOM 1013 C LYS A 70 28.209 5.790 2.749 1.00 44.40 C ATOM 1014 O LYS A 70 28.582 6.511 3.675 1.00 32.24 O ATOM 1015 CB LYS A 70 30.305 6.094 1.416 1.00 11.12 C ATOM 1016 CG LYS A 70 30.777 7.455 1.900 1.00 64.32 C ATOM 1017 CD LYS A 70 31.726 8.101 0.905 1.00 64.11 C ATOM 1018 CE LYS A 70 31.008 8.495 -0.376 1.00 50.51 C ATOM 1019 NZ LYS A 70 31.189 7.480 -1.450 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.293 7.999 1.220 1.00 53.02 H new ATOM 0 HA LYS A 70 28.524 5.085 0.755 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.696 5.325 2.082 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.724 5.903 0.428 1.00 11.12 H new ATOM 0 HG2 LYS A 70 29.916 8.105 2.058 1.00 64.32 H new ATOM 0 HG3 LYS A 70 31.276 7.347 2.863 1.00 64.32 H new ATOM 0 HD2 LYS A 70 32.180 8.984 1.355 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.536 7.410 0.671 1.00 64.11 H new ATOM 0 HE2 LYS A 70 29.945 8.621 -0.172 1.00 50.51 H new ATOM 0 HE3 LYS A 70 31.383 9.459 -0.721 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 31.758 7.887 -2.220 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 31.676 6.647 -1.062 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 30.259 7.196 -1.820 1.00 34.32 H new ATOM 1033 N VAL A 71 27.304 4.829 2.899 1.00 65.12 N ATOM 1034 CA VAL A 71 26.683 4.558 4.190 1.00 43.30 C ATOM 1035 C VAL A 71 27.439 3.473 4.947 1.00 4.12 C ATOM 1036 O VAL A 71 27.865 2.477 4.363 1.00 32.12 O ATOM 1037 CB VAL A 71 25.214 4.125 4.027 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.614 3.752 5.374 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.405 5.229 3.361 1.00 13.51 C ATOM 0 H VAL A 71 26.984 4.225 2.142 1.00 65.12 H new ATOM 0 HA VAL A 71 26.720 5.487 4.759 1.00 43.30 H new ATOM 0 HB VAL A 71 25.182 3.244 3.386 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.576 3.449 5.238 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.179 2.927 5.808 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.656 4.612 6.042 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.369 4.907 3.253 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.443 6.129 3.975 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.822 5.443 2.377 1.00 13.51 H new ATOM 1049 N GLU A 72 27.602 3.673 6.251 1.00 21.11 N ATOM 1050 CA GLU A 72 28.308 2.710 7.089 1.00 23.21 C ATOM 1051 C GLU A 72 27.420 2.230 8.233 1.00 64.10 C ATOM 1052 O GLU A 72 26.694 3.016 8.841 1.00 4.11 O ATOM 1053 CB GLU A 72 29.589 3.331 7.649 1.00 23.23 C ATOM 1054 CG GLU A 72 29.953 2.829 9.036 1.00 11.22 C ATOM 1055 CD GLU A 72 31.425 3.005 9.353 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.926 4.143 9.239 1.00 13.44 O ATOM 1057 OE2 GLU A 72 32.078 2.003 9.715 1.00 15.25 O1- ATOM 0 H GLU A 72 27.255 4.492 6.750 1.00 21.11 H new ATOM 0 HA GLU A 72 28.569 1.851 6.470 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.413 3.120 6.968 1.00 23.23 H new ATOM 0 HB3 GLU A 72 29.473 4.414 7.683 1.00 23.23 H new ATOM 0 HG2 GLU A 72 29.359 3.362 9.779 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.692 1.774 9.116 1.00 11.22 H new ATOM 1064 N ILE A 73 27.484 0.934 8.519 1.00 64.22 N ATOM 1065 CA ILE A 73 26.687 0.348 9.589 1.00 54.32 C ATOM 1066 C ILE A 73 27.576 -0.294 10.649 1.00 14.42 C ATOM 1067 O ILE A 73 28.561 -0.958 10.328 1.00 11.03 O ATOM 1068 CB ILE A 73 25.707 -0.710 9.048 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.837 -0.112 7.940 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.841 -1.255 10.173 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.824 -0.935 6.671 1.00 1.34 C ATOM 0 H ILE A 73 28.080 0.270 8.024 1.00 64.22 H new ATOM 0 HA ILE A 73 26.118 1.161 10.039 1.00 54.32 H new ATOM 0 HB ILE A 73 26.282 -1.535 8.627 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.816 -0.009 8.307 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.196 0.891 7.709 1.00 2.33 H new ATOM 0 HG21 ILE A 73 24.154 -2.001 9.774 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.476 -1.714 10.931 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.272 -0.441 10.621 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.187 -0.451 5.930 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.838 -1.017 6.280 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.437 -1.931 6.887 1.00 1.34 H new ATOM 1083 N ASP A 74 27.219 -0.092 11.913 1.00 44.44 N ATOM 1084 CA ASP A 74 27.983 -0.653 13.021 1.00 10.11 C ATOM 1085 C ASP A 74 27.253 -1.842 13.638 1.00 13.42 C ATOM 1086 O ASP A 74 26.510 -1.693 14.610 1.00 64.24 O ATOM 1087 CB ASP A 74 28.236 0.415 14.087 1.00 20.22 C ATOM 1088 CG ASP A 74 29.683 0.454 14.535 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.029 -0.273 15.490 1.00 62.12 O1- ATOM 1090 OD2 ASP A 74 30.471 1.212 13.931 1.00 11.04 O ATOM 0 H ASP A 74 26.406 0.456 12.195 1.00 44.44 H new ATOM 0 HA ASP A 74 28.940 -1.000 12.631 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.954 1.391 13.693 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.597 0.223 14.949 1.00 20.22 H new ATOM 1095 N THR A 75 27.466 -3.023 13.067 1.00 2.21 N ATOM 1096 CA THR A 75 26.827 -4.237 13.558 1.00 43.11 C ATOM 1097 C THR A 75 27.820 -5.114 14.313 1.00 52.03 C ATOM 1098 O THR A 75 27.587 -6.308 14.507 1.00 42.55 O ATOM 1099 CB THR A 75 26.211 -5.053 12.406 1.00 63.11 C ATOM 1100 OG1 THR A 75 27.165 -5.999 11.911 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.761 -4.139 11.276 1.00 71.34 C ATOM 0 H THR A 75 28.077 -3.164 12.263 1.00 2.21 H new ATOM 0 HA THR A 75 26.033 -3.924 14.237 1.00 43.11 H new ATOM 0 HB THR A 75 25.340 -5.584 12.791 1.00 63.11 H new ATOM 0 HG1 THR A 75 27.431 -6.604 12.634 1.00 13.12 H new ATOM 0 HG21 THR A 75 25.329 -4.738 10.474 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.013 -3.440 11.650 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.618 -3.584 10.894 1.00 71.34 H new ATOM 1109 N LYS A 76 28.926 -4.515 14.739 1.00 11.51 N ATOM 1110 CA LYS A 76 29.954 -5.241 15.475 1.00 2.32 C ATOM 1111 C LYS A 76 29.629 -5.283 16.965 1.00 63.31 C ATOM 1112 O LYS A 76 29.727 -6.333 17.601 1.00 10.13 O ATOM 1113 CB LYS A 76 31.322 -4.588 15.260 1.00 70.33 C ATOM 1114 CG LYS A 76 31.358 -3.115 15.629 1.00 30.31 C ATOM 1115 CD LYS A 76 31.931 -2.903 17.019 1.00 0.13 C ATOM 1116 CE LYS A 76 33.429 -2.639 16.970 1.00 10.32 C ATOM 1117 NZ LYS A 76 33.731 -1.191 16.796 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.134 -3.528 14.587 1.00 11.51 H new ATOM 0 HA LYS A 76 29.982 -6.263 15.097 1.00 2.32 H new ATOM 0 HB2 LYS A 76 32.066 -5.120 15.852 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.608 -4.699 14.214 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.958 -2.571 14.900 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.350 -2.703 15.583 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.428 -2.063 17.497 1.00 0.13 H new ATOM 0 HD3 LYS A 76 31.735 -3.782 17.632 1.00 0.13 H new ATOM 0 HE2 LYS A 76 33.892 -2.999 17.889 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.871 -3.203 16.149 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 34.761 -1.052 16.767 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 33.311 -0.853 15.906 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 33.332 -0.655 17.593 1.00 64.52 H new ATOM 1131 N SER A 77 29.239 -4.138 17.514 1.00 12.32 N ATOM 1132 CA SER A 77 28.901 -4.045 18.930 1.00 40.54 C ATOM 1133 C SER A 77 27.414 -4.302 19.151 1.00 72.24 C ATOM 1134 O SER A 77 27.031 -5.095 20.012 1.00 3.31 O ATOM 1135 CB SER A 77 29.278 -2.666 19.476 1.00 24.54 C ATOM 1136 OG SER A 77 30.627 -2.641 19.909 1.00 62.42 O ATOM 0 H SER A 77 29.149 -3.261 17.000 1.00 12.32 H new ATOM 0 HA SER A 77 29.467 -4.807 19.465 1.00 40.54 H new ATOM 0 HB2 SER A 77 29.126 -1.912 18.704 1.00 24.54 H new ATOM 0 HB3 SER A 77 28.621 -2.408 20.307 1.00 24.54 H new ATOM 0 HG SER A 77 30.844 -1.749 20.252 1.00 62.42 H new ATOM 1142 N TYR A 78 26.580 -3.626 18.368 1.00 33.14 N ATOM 1143 CA TYR A 78 25.134 -3.779 18.480 1.00 43.04 C ATOM 1144 C TYR A 78 24.736 -5.251 18.433 1.00 22.45 C ATOM 1145 O TYR A 78 23.701 -5.643 18.970 1.00 1.02 O ATOM 1146 CB TYR A 78 24.431 -3.014 17.357 1.00 4.32 C ATOM 1147 CG TYR A 78 24.440 -1.514 17.549 1.00 61.13 C ATOM 1148 CD1 TYR A 78 25.567 -0.761 17.242 1.00 50.52 C ATOM 1149 CD2 TYR A 78 23.322 -0.850 18.038 1.00 52.42 C ATOM 1150 CE1 TYR A 78 25.580 0.610 17.417 1.00 70.55 C ATOM 1151 CE2 TYR A 78 23.325 0.521 18.214 1.00 61.52 C ATOM 1152 CZ TYR A 78 24.456 1.245 17.902 1.00 70.05 C ATOM 1153 OH TYR A 78 24.464 2.611 18.077 1.00 34.34 O ATOM 0 H TYR A 78 26.880 -2.967 17.649 1.00 33.14 H new ATOM 0 HA TYR A 78 24.824 -3.368 19.441 1.00 43.04 H new ATOM 0 HB2 TYR A 78 24.912 -3.253 16.409 1.00 4.32 H new ATOM 0 HB3 TYR A 78 23.399 -3.357 17.286 1.00 4.32 H new ATOM 0 HD1 TYR A 78 26.448 -1.256 16.860 1.00 50.52 H new ATOM 0 HD2 TYR A 78 22.435 -1.415 18.285 1.00 52.42 H new ATOM 0 HE1 TYR A 78 26.465 1.180 17.175 1.00 70.55 H new ATOM 0 HE2 TYR A 78 22.447 1.022 18.594 1.00 61.52 H new ATOM 0 HH TYR A 78 23.764 3.016 17.524 1.00 34.34 H new ATOM 1163 N TRP A 79 25.568 -6.061 17.788 1.00 42.11 N ATOM 1164 CA TRP A 79 25.305 -7.491 17.671 1.00 34.33 C ATOM 1165 C TRP A 79 25.490 -8.190 19.014 1.00 45.25 C ATOM 1166 O TRP A 79 24.732 -9.095 19.364 1.00 50.44 O ATOM 1167 CB TRP A 79 26.229 -8.117 16.624 1.00 11.24 C ATOM 1168 CG TRP A 79 25.528 -8.468 15.347 1.00 33.12 C ATOM 1169 CD1 TRP A 79 25.784 -9.538 14.539 1.00 13.21 C ATOM 1170 CD2 TRP A 79 24.456 -7.745 14.731 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.937 -9.525 13.457 1.00 13.32 N ATOM 1172 CE2 TRP A 79 24.112 -8.435 13.553 1.00 40.35 C ATOM 1173 CE3 TRP A 79 23.753 -6.583 15.062 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 23.097 -7.999 12.706 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 22.745 -6.152 14.219 1.00 22.15 C ATOM 1176 CH2 TRP A 79 22.425 -6.860 13.053 1.00 55.42 C ATOM 0 H TRP A 79 26.430 -5.752 17.338 1.00 42.11 H new ATOM 0 HA TRP A 79 24.270 -7.620 17.355 1.00 34.33 H new ATOM 0 HB2 TRP A 79 27.041 -7.424 16.406 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.682 -9.017 17.041 1.00 11.24 H new ATOM 0 HD1 TRP A 79 26.541 -10.285 14.723 1.00 13.21 H new ATOM 0 HE1 TRP A 79 24.924 -10.214 12.705 1.00 13.32 H new ATOM 0 HE3 TRP A 79 23.993 -6.032 15.959 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 22.849 -8.542 11.806 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 22.195 -5.255 14.463 1.00 22.15 H new ATOM 0 HH2 TRP A 79 21.632 -6.499 12.416 1.00 55.42 H new ATOM 1187 N LYS A 80 26.502 -7.766 19.762 1.00 50.41 N ATOM 1188 CA LYS A 80 26.787 -8.350 21.068 1.00 54.32 C ATOM 1189 C LYS A 80 25.679 -8.021 22.064 1.00 54.00 C ATOM 1190 O LYS A 80 25.557 -8.665 23.105 1.00 50.04 O ATOM 1191 CB LYS A 80 28.129 -7.840 21.596 1.00 61.21 C ATOM 1192 CG LYS A 80 28.038 -6.491 22.290 1.00 73.40 C ATOM 1193 CD LYS A 80 28.159 -6.632 23.798 1.00 71.12 C ATOM 1194 CE LYS A 80 29.543 -7.112 24.204 1.00 24.41 C ATOM 1195 NZ LYS A 80 29.897 -6.682 25.586 1.00 51.34 N1+ ATOM 0 H LYS A 80 27.140 -7.019 19.486 1.00 50.41 H new ATOM 0 HA LYS A 80 26.837 -9.433 20.951 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.537 -8.571 22.294 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.832 -7.765 20.766 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.827 -5.836 21.920 1.00 73.40 H new ATOM 0 HG3 LYS A 80 27.088 -6.017 22.043 1.00 73.40 H new ATOM 0 HD2 LYS A 80 27.952 -5.672 24.272 1.00 71.12 H new ATOM 0 HD3 LYS A 80 27.408 -7.335 24.160 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.583 -8.199 24.141 1.00 24.41 H new ATOM 0 HE3 LYS A 80 30.282 -6.724 23.503 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 30.848 -7.029 25.825 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 29.884 -5.644 25.641 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 29.207 -7.073 26.259 1.00 51.34 H new ATOM 1209 N ALA A 81 24.873 -7.015 21.736 1.00 25.51 N ATOM 1210 CA ALA A 81 23.774 -6.604 22.600 1.00 23.43 C ATOM 1211 C ALA A 81 22.614 -7.591 22.519 1.00 74.11 C ATOM 1212 O ALA A 81 22.027 -7.960 23.537 1.00 11.21 O ATOM 1213 CB ALA A 81 23.306 -5.205 22.230 1.00 4.11 C ATOM 0 H ALA A 81 24.961 -6.470 20.878 1.00 25.51 H new ATOM 0 HA ALA A 81 24.137 -6.593 23.628 1.00 23.43 H new ATOM 0 HB1 ALA A 81 22.485 -4.911 22.884 1.00 4.11 H new ATOM 0 HB2 ALA A 81 24.131 -4.503 22.346 1.00 4.11 H new ATOM 0 HB3 ALA A 81 22.966 -5.197 21.194 1.00 4.11 H new ATOM 1219 N LEU A 82 22.288 -8.013 21.303 1.00 72.45 N ATOM 1220 CA LEU A 82 21.196 -8.957 21.089 1.00 71.44 C ATOM 1221 C LEU A 82 21.715 -10.391 21.044 1.00 25.04 C ATOM 1222 O LEU A 82 21.019 -11.301 20.598 1.00 54.03 O ATOM 1223 CB LEU A 82 20.460 -8.629 19.788 1.00 34.13 C ATOM 1224 CG LEU A 82 19.839 -7.235 19.701 1.00 12.53 C ATOM 1225 CD1 LEU A 82 19.174 -6.863 21.017 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.894 -6.203 19.326 1.00 33.50 C ATOM 0 H LEU A 82 22.763 -7.717 20.450 1.00 72.45 H new ATOM 0 HA LEU A 82 20.503 -8.867 21.925 1.00 71.44 H new ATOM 0 HB2 LEU A 82 21.159 -8.746 18.960 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.670 -9.366 19.645 1.00 34.13 H new ATOM 0 HG LEU A 82 19.077 -7.247 18.922 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.738 -5.867 20.936 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.390 -7.585 21.245 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.917 -6.869 21.815 1.00 33.35 H new ATOM 0 HD21 LEU A 82 20.434 -5.217 19.269 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.679 -6.194 20.082 1.00 33.50 H new ATOM 0 HD23 LEU A 82 21.325 -6.459 18.358 1.00 33.50 H new ATOM 1238 N GLY A 83 22.946 -10.583 21.512 1.00 74.52 N ATOM 1239 CA GLY A 83 23.537 -11.908 21.519 1.00 61.44 C ATOM 1240 C GLY A 83 23.574 -12.534 20.138 1.00 64.05 C ATOM 1241 O GLY A 83 23.224 -13.702 19.969 1.00 12.21 O ATOM 0 H GLY A 83 23.543 -9.845 21.886 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.551 -11.848 21.915 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.970 -12.552 22.191 1.00 61.44 H new ATOM 1245 N ILE A 84 23.999 -11.755 19.149 1.00 55.22 N ATOM 1246 CA ILE A 84 24.080 -12.240 17.776 1.00 13.14 C ATOM 1247 C ILE A 84 25.454 -12.832 17.482 1.00 55.44 C ATOM 1248 O ILE A 84 26.433 -12.522 18.161 1.00 14.52 O ATOM 1249 CB ILE A 84 23.790 -11.115 16.764 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.565 -10.310 17.201 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.581 -11.696 15.373 1.00 0.21 C ATOM 1252 CD1 ILE A 84 21.304 -11.138 17.311 1.00 63.44 C ATOM 0 H ILE A 84 24.292 -10.786 19.272 1.00 55.22 H new ATOM 0 HA ILE A 84 23.323 -13.017 17.670 1.00 13.14 H new ATOM 0 HB ILE A 84 24.649 -10.444 16.731 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.771 -9.846 18.166 1.00 51.22 H new ATOM 0 HG13 ILE A 84 22.398 -9.502 16.488 1.00 51.22 H new ATOM 0 HG21 ILE A 84 23.377 -10.889 14.669 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.479 -12.230 15.063 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.737 -12.385 15.390 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.477 -10.501 17.625 1.00 63.44 H new ATOM 0 HD12 ILE A 84 21.074 -11.580 16.342 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.452 -11.930 18.045 1.00 63.44 H new ATOM 1264 N SER A 85 25.519 -13.683 16.464 1.00 21.13 N ATOM 1265 CA SER A 85 26.774 -14.321 16.081 1.00 50.52 C ATOM 1266 C SER A 85 27.893 -13.291 15.967 1.00 44.03 C ATOM 1267 O SER A 85 27.657 -12.092 15.817 1.00 31.33 O ATOM 1268 CB SER A 85 26.609 -15.061 14.752 1.00 54.22 C ATOM 1269 OG SER A 85 26.139 -16.382 14.958 1.00 53.22 O ATOM 0 H SER A 85 24.719 -13.947 15.889 1.00 21.13 H new ATOM 0 HA SER A 85 27.041 -15.038 16.857 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.911 -14.519 14.115 1.00 54.22 H new ATOM 0 HB3 SER A 85 27.564 -15.089 14.227 1.00 54.22 H new ATOM 0 HG SER A 85 26.040 -16.833 14.093 1.00 53.22 H new ATOM 1275 N PRO A 86 29.145 -13.769 16.040 1.00 0.11 N ATOM 1276 CA PRO A 86 30.328 -12.908 15.948 1.00 54.45 C ATOM 1277 C PRO A 86 30.522 -12.339 14.547 1.00 45.13 C ATOM 1278 O PRO A 86 31.295 -11.401 14.350 1.00 52.05 O ATOM 1279 CB PRO A 86 31.480 -13.848 16.308 1.00 32.51 C ATOM 1280 CG PRO A 86 30.983 -15.209 15.960 1.00 54.43 C ATOM 1281 CD PRO A 86 29.502 -15.187 16.219 1.00 54.42 C ATOM 0 HA PRO A 86 30.251 -12.038 16.600 1.00 54.45 H new ATOM 0 HB2 PRO A 86 32.382 -13.601 15.748 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.732 -13.777 17.366 1.00 32.51 H new ATOM 0 HG2 PRO A 86 31.193 -15.447 14.917 1.00 54.43 H new ATOM 0 HG3 PRO A 86 31.474 -15.971 16.566 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.963 -15.828 15.522 1.00 54.42 H new ATOM 0 HD3 PRO A 86 29.265 -15.537 17.223 1.00 54.42 H new ATOM 1289 N MET A 87 29.817 -12.912 13.577 1.00 52.20 N ATOM 1290 CA MET A 87 29.912 -12.460 12.194 1.00 11.03 C ATOM 1291 C MET A 87 29.694 -10.953 12.098 1.00 60.21 C ATOM 1292 O MET A 87 28.599 -10.456 12.361 1.00 33.13 O ATOM 1293 CB MET A 87 28.888 -13.192 11.324 1.00 52.31 C ATOM 1294 CG MET A 87 28.786 -12.640 9.911 1.00 30.23 C ATOM 1295 SD MET A 87 30.381 -12.580 9.073 1.00 71.42 S ATOM 1296 CE MET A 87 31.043 -14.191 9.489 1.00 23.32 C ATOM 0 H MET A 87 29.174 -13.690 13.723 1.00 52.20 H new ATOM 0 HA MET A 87 30.914 -12.688 11.832 1.00 11.03 H new ATOM 0 HB2 MET A 87 29.154 -14.248 11.275 1.00 52.31 H new ATOM 0 HB3 MET A 87 27.909 -13.132 11.800 1.00 52.31 H new ATOM 0 HG2 MET A 87 28.099 -13.257 9.332 1.00 30.23 H new ATOM 0 HG3 MET A 87 28.361 -11.637 9.947 1.00 30.23 H new ATOM 0 HE1 MET A 87 31.701 -14.531 8.690 1.00 23.32 H new ATOM 0 HE2 MET A 87 31.607 -14.123 10.419 1.00 23.32 H new ATOM 0 HE3 MET A 87 30.224 -14.900 9.612 1.00 23.32 H new ATOM 1306 N HIS A 88 30.744 -10.231 11.721 1.00 53.41 N ATOM 1307 CA HIS A 88 30.667 -8.779 11.590 1.00 33.42 C ATOM 1308 C HIS A 88 30.626 -8.368 10.122 1.00 73.05 C ATOM 1309 O HIS A 88 31.608 -7.858 9.584 1.00 73.13 O ATOM 1310 CB HIS A 88 31.858 -8.120 12.284 1.00 42.20 C ATOM 1311 CG HIS A 88 32.032 -8.545 13.710 1.00 1.22 C ATOM 1312 ND1 HIS A 88 33.216 -9.046 14.207 1.00 11.32 N ATOM 1313 CD2 HIS A 88 31.163 -8.538 14.747 1.00 14.24 C ATOM 1314 CE1 HIS A 88 33.067 -9.332 15.489 1.00 62.14 C ATOM 1315 NE2 HIS A 88 31.830 -9.032 15.842 1.00 62.24 N ATOM 0 H HIS A 88 31.658 -10.626 11.501 1.00 53.41 H new ATOM 0 HA HIS A 88 29.747 -8.443 12.068 1.00 33.42 H new ATOM 0 HB2 HIS A 88 32.767 -8.356 11.730 1.00 42.20 H new ATOM 0 HB3 HIS A 88 31.735 -7.038 12.249 1.00 42.20 H new ATOM 0 HD2 HIS A 88 30.136 -8.206 14.719 1.00 14.24 H new ATOM 0 HE1 HIS A 88 33.827 -9.741 16.138 1.00 62.14 H new ATOM 0 HE2 HIS A 88 31.435 -9.148 16.775 1.00 62.24 H new ATOM 1323 N GLU A 89 29.483 -8.593 9.481 1.00 70.23 N ATOM 1324 CA GLU A 89 29.317 -8.246 8.074 1.00 14.34 C ATOM 1325 C GLU A 89 28.600 -6.907 7.926 1.00 75.32 C ATOM 1326 O GLU A 89 27.388 -6.859 7.711 1.00 72.42 O ATOM 1327 CB GLU A 89 28.533 -9.340 7.346 1.00 53.11 C ATOM 1328 CG GLU A 89 29.400 -10.233 6.475 1.00 61.24 C ATOM 1329 CD GLU A 89 29.814 -9.561 5.180 1.00 1.31 C ATOM 1330 OE1 GLU A 89 28.921 -9.079 4.451 1.00 4.11 O ATOM 1331 OE2 GLU A 89 31.029 -9.516 4.896 1.00 3.31 O1- ATOM 0 H GLU A 89 28.660 -9.013 9.913 1.00 70.23 H new ATOM 0 HA GLU A 89 30.307 -8.160 7.627 1.00 14.34 H new ATOM 0 HB2 GLU A 89 28.016 -9.956 8.082 1.00 53.11 H new ATOM 0 HB3 GLU A 89 27.767 -8.875 6.726 1.00 53.11 H new ATOM 0 HG2 GLU A 89 30.292 -10.522 7.031 1.00 61.24 H new ATOM 0 HG3 GLU A 89 28.856 -11.150 6.247 1.00 61.24 H new ATOM 1338 N HIS A 90 29.357 -5.820 8.042 1.00 74.52 N ATOM 1339 CA HIS A 90 28.796 -4.481 7.921 1.00 55.24 C ATOM 1340 C HIS A 90 28.576 -4.114 6.456 1.00 4.33 C ATOM 1341 O HIS A 90 29.241 -3.226 5.922 1.00 31.43 O ATOM 1342 CB HIS A 90 29.718 -3.456 8.582 1.00 13.21 C ATOM 1343 CG HIS A 90 30.352 -3.950 9.847 1.00 63.34 C ATOM 1344 ND1 HIS A 90 31.718 -3.996 10.034 1.00 35.31 N ATOM 1345 CD2 HIS A 90 29.800 -4.419 10.990 1.00 64.40 C ATOM 1346 CE1 HIS A 90 31.978 -4.475 11.237 1.00 72.11 C ATOM 1347 NE2 HIS A 90 30.831 -4.738 11.838 1.00 23.52 N ATOM 0 H HIS A 90 30.361 -5.842 8.220 1.00 74.52 H new ATOM 0 HA HIS A 90 27.832 -4.472 8.429 1.00 55.24 H new ATOM 0 HB2 HIS A 90 30.501 -3.176 7.878 1.00 13.21 H new ATOM 0 HB3 HIS A 90 29.148 -2.553 8.799 1.00 13.21 H new ATOM 0 HD1 HIS A 90 32.417 -3.706 9.351 1.00 35.31 H new ATOM 0 HD2 HIS A 90 28.745 -4.523 11.196 1.00 64.40 H new ATOM 0 HE1 HIS A 90 32.961 -4.626 11.658 1.00 72.11 H new ATOM 1355 N ALA A 91 27.641 -4.803 5.812 1.00 73.52 N ATOM 1356 CA ALA A 91 27.333 -4.549 4.410 1.00 22.23 C ATOM 1357 C ALA A 91 27.069 -3.067 4.166 1.00 61.21 C ATOM 1358 O ALA A 91 26.053 -2.529 4.604 1.00 23.03 O ATOM 1359 CB ALA A 91 26.136 -5.380 3.972 1.00 3.52 C ATOM 0 H ALA A 91 27.083 -5.542 6.239 1.00 73.52 H new ATOM 0 HA ALA A 91 28.199 -4.840 3.815 1.00 22.23 H new ATOM 0 HB1 ALA A 91 25.918 -5.179 2.923 1.00 3.52 H new ATOM 0 HB2 ALA A 91 26.362 -6.439 4.100 1.00 3.52 H new ATOM 0 HB3 ALA A 91 25.269 -5.118 4.579 1.00 3.52 H new ATOM 1365 N GLU A 92 27.990 -2.414 3.464 1.00 73.32 N ATOM 1366 CA GLU A 92 27.855 -0.994 3.163 1.00 2.25 C ATOM 1367 C GLU A 92 27.497 -0.779 1.696 1.00 25.30 C ATOM 1368 O GLU A 92 27.555 -1.708 0.889 1.00 13.50 O ATOM 1369 CB GLU A 92 29.152 -0.254 3.497 1.00 43.31 C ATOM 1370 CG GLU A 92 30.403 -0.977 3.029 1.00 22.11 C ATOM 1371 CD GLU A 92 30.448 -1.150 1.523 1.00 21.31 C ATOM 1372 OE1 GLU A 92 30.435 -0.127 0.808 1.00 61.05 O ATOM 1373 OE2 GLU A 92 30.496 -2.309 1.060 1.00 32.20 O1- ATOM 0 H GLU A 92 28.837 -2.845 3.094 1.00 73.32 H new ATOM 0 HA GLU A 92 27.048 -0.594 3.777 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.123 0.736 3.042 1.00 43.31 H new ATOM 0 HB3 GLU A 92 29.209 -0.107 4.576 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.282 -0.421 3.353 1.00 22.11 H new ATOM 0 HG3 GLU A 92 30.452 -1.956 3.505 1.00 22.11 H new ATOM 1380 N VAL A 93 27.129 0.452 1.356 1.00 70.21 N ATOM 1381 CA VAL A 93 26.762 0.790 -0.014 1.00 61.32 C ATOM 1382 C VAL A 93 27.565 1.982 -0.519 1.00 43.24 C ATOM 1383 O VAL A 93 27.366 3.112 -0.075 1.00 3.54 O ATOM 1384 CB VAL A 93 25.260 1.110 -0.131 1.00 40.32 C ATOM 1385 CG1 VAL A 93 24.910 1.524 -1.552 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.425 -0.085 0.306 1.00 41.15 C ATOM 0 H VAL A 93 27.077 1.232 2.011 1.00 70.21 H new ATOM 0 HA VAL A 93 26.988 -0.083 -0.626 1.00 61.32 H new ATOM 0 HB VAL A 93 25.032 1.945 0.531 1.00 40.32 H new ATOM 0 HG11 VAL A 93 23.845 1.746 -1.614 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.482 2.411 -1.824 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.152 0.712 -2.238 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.366 0.159 0.217 1.00 41.15 H new ATOM 0 HG22 VAL A 93 24.655 -0.941 -0.328 1.00 41.15 H new ATOM 0 HG23 VAL A 93 24.655 -0.330 1.343 1.00 41.15 H new ATOM 1396 N VAL A 94 28.476 1.723 -1.454 1.00 55.22 N ATOM 1397 CA VAL A 94 29.309 2.775 -2.022 1.00 54.44 C ATOM 1398 C VAL A 94 29.183 2.817 -3.541 1.00 72.33 C ATOM 1399 O VAL A 94 29.669 1.927 -4.240 1.00 31.22 O ATOM 1400 CB VAL A 94 30.790 2.583 -1.647 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.647 3.665 -2.285 1.00 44.32 C ATOM 1402 CG2 VAL A 94 30.959 2.580 -0.135 1.00 32.44 C ATOM 0 H VAL A 94 28.655 0.793 -1.833 1.00 55.22 H new ATOM 0 HA VAL A 94 28.955 3.718 -1.604 1.00 54.44 H new ATOM 0 HB VAL A 94 31.122 1.618 -2.030 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.690 3.513 -2.009 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.548 3.615 -3.369 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.318 4.643 -1.935 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.012 2.443 0.113 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.611 3.529 0.272 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.376 1.765 0.295 1.00 32.44 H new ATOM 1412 N PHE A 95 28.526 3.855 -4.047 1.00 74.21 N ATOM 1413 CA PHE A 95 28.334 4.012 -5.485 1.00 3.42 C ATOM 1414 C PHE A 95 28.660 5.437 -5.924 1.00 14.12 C ATOM 1415 O PHE A 95 28.516 6.386 -5.152 1.00 41.52 O ATOM 1416 CB PHE A 95 26.896 3.664 -5.870 1.00 1.11 C ATOM 1417 CG PHE A 95 26.604 2.191 -5.828 1.00 21.10 C ATOM 1418 CD1 PHE A 95 27.156 1.335 -6.768 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.778 1.663 -4.849 1.00 44.02 C ATOM 1420 CE1 PHE A 95 26.888 -0.020 -6.732 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.507 0.308 -4.808 1.00 24.42 C ATOM 1422 CZ PHE A 95 26.064 -0.535 -5.750 1.00 43.33 C ATOM 0 H PHE A 95 28.117 4.600 -3.483 1.00 74.21 H new ATOM 0 HA PHE A 95 29.014 3.329 -5.994 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.213 4.181 -5.196 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.697 4.037 -6.875 1.00 1.11 H new ATOM 0 HD1 PHE A 95 27.803 1.731 -7.537 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.341 2.317 -4.109 1.00 44.02 H new ATOM 0 HE1 PHE A 95 27.323 -0.676 -7.471 1.00 25.12 H new ATOM 0 HE2 PHE A 95 24.861 -0.091 -4.040 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.856 -1.594 -5.719 1.00 43.33 H new ATOM 1432 N THR A 96 29.101 5.580 -7.170 1.00 44.40 N ATOM 1433 CA THR A 96 29.450 6.887 -7.712 1.00 34.31 C ATOM 1434 C THR A 96 28.606 7.215 -8.939 1.00 25.23 C ATOM 1435 O THR A 96 28.261 6.330 -9.721 1.00 11.30 O ATOM 1436 CB THR A 96 30.940 6.959 -8.093 1.00 71.34 C ATOM 1437 OG1 THR A 96 31.216 8.193 -8.765 1.00 53.43 O ATOM 1438 CG2 THR A 96 31.325 5.791 -8.990 1.00 41.12 C ATOM 0 H THR A 96 29.225 4.806 -7.823 1.00 44.40 H new ATOM 0 HA THR A 96 29.249 7.618 -6.929 1.00 34.31 H new ATOM 0 HB THR A 96 31.529 6.905 -7.178 1.00 71.34 H new ATOM 0 HG1 THR A 96 32.166 8.231 -9.002 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.382 5.862 -9.247 1.00 41.12 H new ATOM 0 HG22 THR A 96 31.141 4.853 -8.465 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.728 5.820 -9.901 1.00 41.12 H new ATOM 1446 N ALA A 97 28.278 8.493 -9.102 1.00 2.00 N ATOM 1447 CA ALA A 97 27.478 8.938 -10.235 1.00 54.14 C ATOM 1448 C ALA A 97 28.334 9.081 -11.489 1.00 75.12 C ATOM 1449 O ALA A 97 29.553 9.216 -11.407 1.00 3.52 O ATOM 1450 CB ALA A 97 26.789 10.255 -9.911 1.00 3.33 C ATOM 0 H ALA A 97 28.555 9.238 -8.463 1.00 2.00 H new ATOM 0 HA ALA A 97 26.718 8.182 -10.430 1.00 54.14 H new ATOM 0 HB1 ALA A 97 26.195 10.575 -10.767 1.00 3.33 H new ATOM 0 HB2 ALA A 97 26.138 10.122 -9.047 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.540 11.013 -9.687 1.00 3.33 H new ATOM 1456 N ASN A 98 27.686 9.050 -12.649 1.00 61.44 N ATOM 1457 CA ASN A 98 28.388 9.175 -13.921 1.00 5.53 C ATOM 1458 C ASN A 98 29.345 8.005 -14.132 1.00 5.21 C ATOM 1459 O ASN A 98 30.484 8.191 -14.563 1.00 32.32 O ATOM 1460 CB ASN A 98 29.161 10.496 -13.974 1.00 33.23 C ATOM 1461 CG ASN A 98 28.421 11.625 -13.282 1.00 11.24 C ATOM 1462 OD1 ASN A 98 27.397 12.100 -13.770 1.00 54.42 O ATOM 1463 ND2 ASN A 98 28.940 12.059 -12.139 1.00 42.15 N ATOM 0 H ASN A 98 26.676 8.939 -12.734 1.00 61.44 H new ATOM 0 HA ASN A 98 27.646 9.163 -14.719 1.00 5.53 H new ATOM 0 HB2 ASN A 98 30.136 10.363 -13.505 1.00 33.23 H new ATOM 0 HB3 ASN A 98 29.342 10.767 -15.014 1.00 33.23 H new ATOM 0 HD21 ASN A 98 28.487 12.817 -11.628 1.00 42.15 H new ATOM 0 HD22 ASN A 98 29.792 11.635 -11.772 1.00 42.15 H new ATOM 1470 N ASP A 99 28.876 6.801 -13.824 1.00 51.43 N ATOM 1471 CA ASP A 99 29.688 5.601 -13.981 1.00 34.13 C ATOM 1472 C ASP A 99 28.841 4.433 -14.477 1.00 63.24 C ATOM 1473 O ASP A 99 27.638 4.573 -14.690 1.00 54.14 O ATOM 1474 CB ASP A 99 30.356 5.235 -12.654 1.00 61.02 C ATOM 1475 CG ASP A 99 31.707 4.574 -12.850 1.00 31.11 C ATOM 1476 OD1 ASP A 99 32.374 4.875 -13.862 1.00 64.44 O ATOM 1477 OD2 ASP A 99 32.097 3.757 -11.990 1.00 41.04 O1- ATOM 0 H ASP A 99 27.937 6.630 -13.464 1.00 51.43 H new ATOM 0 HA ASP A 99 30.459 5.808 -14.723 1.00 34.13 H new ATOM 0 HB2 ASP A 99 30.479 6.135 -12.052 1.00 61.02 H new ATOM 0 HB3 ASP A 99 29.704 4.564 -12.095 1.00 61.02 H new ATOM 1482 N SER A 100 29.480 3.282 -14.661 1.00 31.43 N ATOM 1483 CA SER A 100 28.787 2.090 -15.137 1.00 54.41 C ATOM 1484 C SER A 100 27.896 1.507 -14.045 1.00 0.22 C ATOM 1485 O SER A 100 26.905 0.835 -14.329 1.00 0.22 O ATOM 1486 CB SER A 100 29.796 1.040 -15.603 1.00 62.41 C ATOM 1487 OG SER A 100 30.569 1.521 -16.689 1.00 71.24 O ATOM 0 H SER A 100 30.476 3.150 -14.488 1.00 31.43 H new ATOM 0 HA SER A 100 28.158 2.378 -15.979 1.00 54.41 H new ATOM 0 HB2 SER A 100 30.453 0.771 -14.776 1.00 62.41 H new ATOM 0 HB3 SER A 100 29.270 0.133 -15.901 1.00 62.41 H new ATOM 0 HG SER A 100 31.207 0.831 -16.967 1.00 71.24 H new ATOM 1493 N GLY A 101 28.258 1.769 -12.792 1.00 34.22 N ATOM 1494 CA GLY A 101 27.482 1.262 -11.675 1.00 51.22 C ATOM 1495 C GLY A 101 26.034 1.708 -11.726 1.00 34.21 C ATOM 1496 O GLY A 101 25.667 2.616 -12.471 1.00 62.14 O ATOM 0 H GLY A 101 29.074 2.323 -12.531 1.00 34.22 H new ATOM 0 HA2 GLY A 101 27.524 0.173 -11.672 1.00 51.22 H new ATOM 0 HA3 GLY A 101 27.931 1.601 -10.741 1.00 51.22 H new ATOM 1500 N PRO A 102 25.182 1.058 -10.919 1.00 21.34 N ATOM 1501 CA PRO A 102 23.752 1.374 -10.857 1.00 0.44 C ATOM 1502 C PRO A 102 23.485 2.729 -10.210 1.00 41.02 C ATOM 1503 O PRO A 102 24.411 3.498 -9.953 1.00 2.14 O ATOM 1504 CB PRO A 102 23.176 0.248 -9.995 1.00 64.03 C ATOM 1505 CG PRO A 102 24.319 -0.209 -9.156 1.00 43.03 C ATOM 1506 CD PRO A 102 25.550 -0.035 -10.002 1.00 62.14 C ATOM 0 HA PRO A 102 23.307 1.440 -11.850 1.00 0.44 H new ATOM 0 HB2 PRO A 102 22.350 0.604 -9.379 1.00 64.03 H new ATOM 0 HB3 PRO A 102 22.788 -0.563 -10.611 1.00 64.03 H new ATOM 0 HG2 PRO A 102 24.389 0.377 -8.240 1.00 43.03 H new ATOM 0 HG3 PRO A 102 24.193 -1.250 -8.859 1.00 43.03 H new ATOM 0 HD2 PRO A 102 26.420 0.223 -9.398 1.00 62.14 H new ATOM 0 HD3 PRO A 102 25.798 -0.948 -10.544 1.00 62.14 H new ATOM 1514 N ARG A 103 22.213 3.016 -9.950 1.00 23.34 N ATOM 1515 CA ARG A 103 21.825 4.278 -9.333 1.00 62.04 C ATOM 1516 C ARG A 103 20.518 4.127 -8.562 1.00 14.33 C ATOM 1517 O ARG A 103 19.440 4.067 -9.153 1.00 52.44 O ATOM 1518 CB ARG A 103 21.679 5.366 -10.400 1.00 30.24 C ATOM 1519 CG ARG A 103 23.004 5.839 -10.974 1.00 22.53 C ATOM 1520 CD ARG A 103 22.894 7.242 -11.549 1.00 52.13 C ATOM 1521 NE ARG A 103 21.843 7.338 -12.560 1.00 1.11 N ATOM 1522 CZ ARG A 103 21.583 8.445 -13.246 1.00 54.03 C ATOM 1523 NH1 ARG A 103 22.293 9.544 -13.033 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 20.611 8.454 -14.149 1.00 64.44 N ATOM 0 H ARG A 103 21.434 2.391 -10.157 1.00 23.34 H new ATOM 0 HA ARG A 103 22.608 4.568 -8.632 1.00 62.04 H new ATOM 0 HB2 ARG A 103 21.057 4.987 -11.210 1.00 30.24 H new ATOM 0 HB3 ARG A 103 21.155 6.219 -9.968 1.00 30.24 H new ATOM 0 HG2 ARG A 103 23.766 5.823 -10.194 1.00 22.53 H new ATOM 0 HG3 ARG A 103 23.331 5.150 -11.753 1.00 22.53 H new ATOM 0 HD2 ARG A 103 22.689 7.948 -10.745 1.00 52.13 H new ATOM 0 HD3 ARG A 103 23.849 7.529 -11.990 1.00 52.13 H new ATOM 0 HE ARG A 103 21.278 6.510 -12.749 1.00 1.11 H new ATOM 0 HH11 ARG A 103 23.042 9.541 -12.340 1.00 3.14 H new ATOM 0 HH12 ARG A 103 22.091 10.392 -13.562 1.00 3.14 H new ATOM 0 HH21 ARG A 103 20.063 7.610 -14.317 1.00 64.44 H new ATOM 0 HH22 ARG A 103 20.412 9.305 -14.675 1.00 64.44 H new ATOM 1538 N ARG A 104 20.621 4.066 -7.238 1.00 24.02 N ATOM 1539 CA ARG A 104 19.448 3.921 -6.386 1.00 24.20 C ATOM 1540 C ARG A 104 19.407 5.016 -5.325 1.00 1.51 C ATOM 1541 O ARG A 104 20.332 5.822 -5.213 1.00 72.24 O ATOM 1542 CB ARG A 104 19.446 2.546 -5.715 1.00 25.22 C ATOM 1543 CG ARG A 104 18.692 1.486 -6.501 1.00 31.23 C ATOM 1544 CD ARG A 104 19.581 0.828 -7.545 1.00 34.05 C ATOM 1545 NE ARG A 104 19.112 -0.508 -7.900 1.00 31.23 N ATOM 1546 CZ ARG A 104 18.121 -0.737 -8.755 1.00 4.22 C ATOM 1547 NH1 ARG A 104 17.499 0.278 -9.340 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 17.752 -1.981 -9.027 1.00 33.42 N ATOM 0 H ARG A 104 21.506 4.115 -6.733 1.00 24.02 H new ATOM 0 HA ARG A 104 18.561 4.014 -7.013 1.00 24.20 H new ATOM 0 HB2 ARG A 104 20.476 2.218 -5.575 1.00 25.22 H new ATOM 0 HB3 ARG A 104 19.002 2.636 -4.724 1.00 25.22 H new ATOM 0 HG2 ARG A 104 18.310 0.728 -5.817 1.00 31.23 H new ATOM 0 HG3 ARG A 104 17.829 1.939 -6.990 1.00 31.23 H new ATOM 0 HD2 ARG A 104 19.612 1.451 -8.439 1.00 34.05 H new ATOM 0 HD3 ARG A 104 20.601 0.765 -7.165 1.00 34.05 H new ATOM 0 HE ARG A 104 19.570 -1.310 -7.468 1.00 31.23 H new ATOM 0 HH11 ARG A 104 17.781 1.236 -9.134 1.00 33.51 H new ATOM 0 HH12 ARG A 104 16.738 0.100 -9.996 1.00 33.51 H new ATOM 0 HH21 ARG A 104 18.229 -2.764 -8.580 1.00 33.42 H new ATOM 0 HH22 ARG A 104 16.991 -2.155 -9.684 1.00 33.42 H new ATOM 1562 N TYR A 105 18.329 5.041 -4.549 1.00 3.31 N ATOM 1563 CA TYR A 105 18.167 6.040 -3.499 1.00 51.11 C ATOM 1564 C TYR A 105 18.162 5.385 -2.121 1.00 4.42 C ATOM 1565 O TYR A 105 18.720 5.923 -1.163 1.00 2.22 O ATOM 1566 CB TYR A 105 16.869 6.823 -3.708 1.00 3.13 C ATOM 1567 CG TYR A 105 15.681 5.949 -4.039 1.00 74.50 C ATOM 1568 CD1 TYR A 105 14.882 5.419 -3.034 1.00 12.00 C ATOM 1569 CD2 TYR A 105 15.358 5.652 -5.358 1.00 22.34 C ATOM 1570 CE1 TYR A 105 13.796 4.618 -3.331 1.00 50.15 C ATOM 1571 CE2 TYR A 105 14.273 4.854 -5.665 1.00 51.10 C ATOM 1572 CZ TYR A 105 13.495 4.340 -4.649 1.00 33.34 C ATOM 1573 OH TYR A 105 12.414 3.543 -4.951 1.00 22.10 O ATOM 0 H TYR A 105 17.555 4.381 -4.627 1.00 3.31 H new ATOM 0 HA TYR A 105 19.011 6.727 -3.552 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.649 7.393 -2.806 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.015 7.543 -4.513 1.00 3.13 H new ATOM 0 HD1 TYR A 105 15.114 5.637 -2.002 1.00 12.00 H new ATOM 0 HD2 TYR A 105 15.966 6.052 -6.156 1.00 22.34 H new ATOM 0 HE1 TYR A 105 13.187 4.212 -2.537 1.00 50.15 H new ATOM 0 HE2 TYR A 105 14.035 4.634 -6.695 1.00 51.10 H new ATOM 0 HH TYR A 105 12.340 3.447 -5.923 1.00 22.10 H new ATOM 1583 N THR A 106 17.530 4.220 -2.027 1.00 40.24 N ATOM 1584 CA THR A 106 17.452 3.492 -0.768 1.00 32.41 C ATOM 1585 C THR A 106 18.661 2.581 -0.584 1.00 71.02 C ATOM 1586 O THR A 106 19.056 1.864 -1.504 1.00 75.23 O ATOM 1587 CB THR A 106 16.169 2.643 -0.688 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.019 3.477 -0.866 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.078 1.923 0.649 1.00 12.31 C ATOM 0 H THR A 106 17.064 3.760 -2.809 1.00 40.24 H new ATOM 0 HA THR A 106 17.436 4.237 0.027 1.00 32.41 H new ATOM 0 HB THR A 106 16.203 1.897 -1.482 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.989 3.800 -1.791 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.164 1.330 0.682 1.00 12.31 H new ATOM 0 HG22 THR A 106 16.940 1.267 0.768 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.065 2.655 1.456 1.00 12.31 H new ATOM 1597 N ILE A 107 19.245 2.614 0.610 1.00 54.05 N ATOM 1598 CA ILE A 107 20.408 1.791 0.914 1.00 74.20 C ATOM 1599 C ILE A 107 19.989 0.408 1.402 1.00 63.32 C ATOM 1600 O ILE A 107 19.443 0.264 2.495 1.00 31.52 O ATOM 1601 CB ILE A 107 21.301 2.450 1.981 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.950 3.718 1.421 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.363 1.472 2.461 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.245 4.991 1.834 1.00 32.11 C ATOM 0 H ILE A 107 18.931 3.202 1.382 1.00 54.05 H new ATOM 0 HA ILE A 107 20.975 1.692 -0.011 1.00 74.20 H new ATOM 0 HB ILE A 107 20.680 2.728 2.833 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.987 3.763 1.753 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.966 3.658 0.333 1.00 42.14 H new ATOM 0 HG21 ILE A 107 22.986 1.953 3.215 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.881 0.595 2.894 1.00 44.24 H new ATOM 0 HG23 ILE A 107 22.983 1.166 1.619 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.760 5.849 1.401 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.215 4.968 1.478 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.252 5.075 2.921 1.00 32.11 H new ATOM 1616 N ALA A 108 20.252 -0.606 0.584 1.00 21.23 N ATOM 1617 CA ALA A 108 19.906 -1.979 0.933 1.00 2.35 C ATOM 1618 C ALA A 108 21.068 -2.676 1.634 1.00 63.45 C ATOM 1619 O ALA A 108 22.098 -2.955 1.020 1.00 51.45 O ATOM 1620 CB ALA A 108 19.496 -2.753 -0.310 1.00 32.14 C ATOM 0 H ALA A 108 20.703 -0.503 -0.325 1.00 21.23 H new ATOM 0 HA ALA A 108 19.063 -1.951 1.623 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.241 -3.776 -0.034 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.631 -2.274 -0.768 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.323 -2.765 -1.021 1.00 32.14 H new ATOM 1626 N ALA A 109 20.896 -2.955 2.922 1.00 63.22 N ATOM 1627 CA ALA A 109 21.930 -3.622 3.704 1.00 54.44 C ATOM 1628 C ALA A 109 21.383 -4.871 4.385 1.00 42.04 C ATOM 1629 O ALA A 109 20.537 -4.785 5.273 1.00 35.23 O ATOM 1630 CB ALA A 109 22.508 -2.666 4.736 1.00 2.42 C ATOM 0 H ALA A 109 20.050 -2.729 3.446 1.00 63.22 H new ATOM 0 HA ALA A 109 22.724 -3.930 3.024 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.279 -3.176 5.313 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.944 -1.805 4.230 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.716 -2.331 5.405 1.00 2.42 H new ATOM 1636 N MET A 110 21.872 -6.032 3.961 1.00 0.21 N ATOM 1637 CA MET A 110 21.433 -7.300 4.532 1.00 34.20 C ATOM 1638 C MET A 110 22.506 -7.889 5.441 1.00 44.24 C ATOM 1639 O MET A 110 23.644 -8.100 5.019 1.00 31.10 O ATOM 1640 CB MET A 110 21.090 -8.292 3.419 1.00 34.11 C ATOM 1641 CG MET A 110 19.757 -8.011 2.744 1.00 44.03 C ATOM 1642 SD MET A 110 19.173 -9.402 1.754 1.00 11.42 S ATOM 1643 CE MET A 110 18.285 -10.347 2.990 1.00 12.22 C ATOM 0 H MET A 110 22.572 -6.121 3.224 1.00 0.21 H new ATOM 0 HA MET A 110 20.541 -7.111 5.129 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.880 -8.270 2.668 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.072 -9.300 3.834 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.013 -7.773 3.504 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.855 -7.132 2.107 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.621 -11.384 2.966 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.477 -9.926 3.977 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.216 -10.307 2.780 1.00 12.22 H new ATOM 1653 N LEU A 111 22.138 -8.152 6.690 1.00 51.13 N ATOM 1654 CA LEU A 111 23.070 -8.716 7.659 1.00 21.14 C ATOM 1655 C LEU A 111 23.190 -10.227 7.485 1.00 54.03 C ATOM 1656 O LEU A 111 22.626 -10.998 8.262 1.00 63.05 O ATOM 1657 CB LEU A 111 22.616 -8.390 9.083 1.00 12.44 C ATOM 1658 CG LEU A 111 22.468 -6.906 9.417 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.614 -6.106 8.817 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.129 -6.378 8.921 1.00 62.42 C ATOM 0 H LEU A 111 21.201 -7.984 7.055 1.00 51.13 H new ATOM 0 HA LEU A 111 24.049 -8.270 7.485 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.657 -8.879 9.258 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.330 -8.829 9.780 1.00 12.44 H new ATOM 0 HG LEU A 111 22.502 -6.793 10.501 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.491 -5.052 9.066 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.560 -6.466 9.221 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.613 -6.226 7.734 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.041 -5.320 9.168 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.065 -6.505 7.840 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.320 -6.930 9.399 1.00 62.42 H new ATOM 1672 N SER A 112 23.929 -10.643 6.461 1.00 54.12 N ATOM 1673 CA SER A 112 24.120 -12.061 6.183 1.00 12.24 C ATOM 1674 C SER A 112 24.592 -12.800 7.432 1.00 22.43 C ATOM 1675 O SER A 112 25.146 -12.212 8.361 1.00 1.40 O ATOM 1676 CB SER A 112 25.134 -12.249 5.053 1.00 43.45 C ATOM 1677 OG SER A 112 26.016 -13.322 5.331 1.00 13.22 O ATOM 0 H SER A 112 24.405 -10.018 5.811 1.00 54.12 H new ATOM 0 HA SER A 112 23.161 -12.478 5.875 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.609 -12.439 4.117 1.00 43.45 H new ATOM 0 HB3 SER A 112 25.705 -11.331 4.917 1.00 43.45 H new ATOM 0 HG SER A 112 26.851 -13.196 4.834 1.00 13.22 H new ATOM 1683 N PRO A 113 24.366 -14.122 7.456 1.00 22.02 N ATOM 1684 CA PRO A 113 24.760 -14.972 8.585 1.00 43.14 C ATOM 1685 C PRO A 113 26.273 -15.129 8.691 1.00 2.12 C ATOM 1686 O PRO A 113 26.833 -15.115 9.788 1.00 12.34 O ATOM 1687 CB PRO A 113 24.105 -16.317 8.262 1.00 50.43 C ATOM 1688 CG PRO A 113 23.957 -16.320 6.779 1.00 10.11 C ATOM 1689 CD PRO A 113 23.710 -14.890 6.385 1.00 23.20 C ATOM 0 HA PRO A 113 24.450 -14.550 9.541 1.00 43.14 H new ATOM 0 HB2 PRO A 113 24.722 -17.149 8.600 1.00 50.43 H new ATOM 0 HB3 PRO A 113 23.139 -16.416 8.757 1.00 50.43 H new ATOM 0 HG2 PRO A 113 24.855 -16.708 6.298 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.129 -16.958 6.471 1.00 10.11 H new ATOM 0 HD2 PRO A 113 24.137 -14.663 5.408 1.00 23.20 H new ATOM 0 HD3 PRO A 113 22.644 -14.668 6.326 1.00 23.20 H new ATOM 1697 N TYR A 114 26.930 -15.277 7.547 1.00 23.50 N ATOM 1698 CA TYR A 114 28.379 -15.438 7.512 1.00 1.14 C ATOM 1699 C TYR A 114 28.951 -14.941 6.189 1.00 43.00 C ATOM 1700 O TYR A 114 28.214 -14.701 5.232 1.00 5.21 O ATOM 1701 CB TYR A 114 28.755 -16.906 7.724 1.00 52.22 C ATOM 1702 CG TYR A 114 28.472 -17.409 9.121 1.00 0.42 C ATOM 1703 CD1 TYR A 114 29.427 -17.304 10.125 1.00 13.42 C ATOM 1704 CD2 TYR A 114 27.249 -17.988 9.438 1.00 43.22 C ATOM 1705 CE1 TYR A 114 29.173 -17.762 11.403 1.00 52.31 C ATOM 1706 CE2 TYR A 114 26.986 -18.447 10.714 1.00 31.41 C ATOM 1707 CZ TYR A 114 27.951 -18.332 11.693 1.00 63.53 C ATOM 1708 OH TYR A 114 27.695 -18.789 12.965 1.00 74.32 O ATOM 0 H TYR A 114 26.482 -15.289 6.631 1.00 23.50 H new ATOM 0 HA TYR A 114 28.805 -14.840 8.318 1.00 1.14 H new ATOM 0 HB2 TYR A 114 28.207 -17.519 7.008 1.00 52.22 H new ATOM 0 HB3 TYR A 114 29.816 -17.035 7.509 1.00 52.22 H new ATOM 0 HD1 TYR A 114 30.384 -16.857 9.902 1.00 13.42 H new ATOM 0 HD2 TYR A 114 26.491 -18.081 8.674 1.00 43.22 H new ATOM 0 HE1 TYR A 114 29.927 -17.674 12.171 1.00 52.31 H new ATOM 0 HE2 TYR A 114 26.030 -18.894 10.944 1.00 31.41 H new ATOM 0 HH TYR A 114 26.789 -19.161 13.003 1.00 74.32 H new ATOM 1718 N SER A 115 30.272 -14.788 6.142 1.00 75.00 N ATOM 1719 CA SER A 115 30.944 -14.316 4.937 1.00 11.22 C ATOM 1720 C SER A 115 32.366 -14.863 4.860 1.00 71.44 C ATOM 1721 O SER A 115 33.133 -14.767 5.816 1.00 23.43 O ATOM 1722 CB SER A 115 30.972 -12.786 4.910 1.00 64.23 C ATOM 1723 OG SER A 115 29.758 -12.263 4.400 1.00 63.14 O ATOM 0 H SER A 115 30.897 -14.984 6.924 1.00 75.00 H new ATOM 0 HA SER A 115 30.386 -14.678 4.073 1.00 11.22 H new ATOM 0 HB2 SER A 115 31.142 -12.404 5.917 1.00 64.23 H new ATOM 0 HB3 SER A 115 31.805 -12.445 4.295 1.00 64.23 H new ATOM 0 HG SER A 115 29.045 -12.927 4.507 1.00 63.14 H new ATOM 1729 N TYR A 116 32.709 -15.439 3.713 1.00 41.15 N ATOM 1730 CA TYR A 116 34.037 -16.005 3.509 1.00 60.33 C ATOM 1731 C TYR A 116 34.818 -15.204 2.471 1.00 73.11 C ATOM 1732 O TYR A 116 35.678 -15.741 1.775 1.00 43.34 O ATOM 1733 CB TYR A 116 33.929 -17.466 3.065 1.00 52.20 C ATOM 1734 CG TYR A 116 33.715 -18.431 4.210 1.00 62.23 C ATOM 1735 CD1 TYR A 116 34.708 -18.647 5.157 1.00 64.02 C ATOM 1736 CD2 TYR A 116 32.520 -19.128 4.342 1.00 50.21 C ATOM 1737 CE1 TYR A 116 34.517 -19.529 6.203 1.00 12.14 C ATOM 1738 CE2 TYR A 116 32.320 -20.010 5.386 1.00 70.32 C ATOM 1739 CZ TYR A 116 33.321 -20.208 6.313 1.00 0.53 C ATOM 1740 OH TYR A 116 33.126 -21.086 7.354 1.00 30.40 O ATOM 0 H TYR A 116 32.086 -15.526 2.910 1.00 41.15 H new ATOM 0 HA TYR A 116 34.573 -15.958 4.457 1.00 60.33 H new ATOM 0 HB2 TYR A 116 33.104 -17.563 2.360 1.00 52.20 H new ATOM 0 HB3 TYR A 116 34.838 -17.743 2.532 1.00 52.20 H new ATOM 0 HD1 TYR A 116 35.645 -18.117 5.074 1.00 64.02 H new ATOM 0 HD2 TYR A 116 31.735 -18.978 3.616 1.00 50.21 H new ATOM 0 HE1 TYR A 116 35.300 -19.686 6.931 1.00 12.14 H new ATOM 0 HE2 TYR A 116 31.384 -20.542 5.476 1.00 70.32 H new ATOM 0 HH TYR A 116 32.231 -21.480 7.286 1.00 30.40 H new ATOM 1750 N SER A 117 34.509 -13.914 2.375 1.00 25.22 N ATOM 1751 CA SER A 117 35.178 -13.037 1.421 1.00 25.44 C ATOM 1752 C SER A 117 35.341 -11.634 1.996 1.00 44.43 C ATOM 1753 O SER A 117 35.100 -11.402 3.181 1.00 74.44 O ATOM 1754 CB SER A 117 34.391 -12.977 0.112 1.00 52.34 C ATOM 1755 OG SER A 117 35.169 -12.407 -0.927 1.00 35.54 O ATOM 0 H SER A 117 33.800 -13.454 2.946 1.00 25.22 H new ATOM 0 HA SER A 117 36.168 -13.446 1.221 1.00 25.44 H new ATOM 0 HB2 SER A 117 34.078 -13.981 -0.174 1.00 52.34 H new ATOM 0 HB3 SER A 117 33.485 -12.389 0.256 1.00 52.34 H new ATOM 0 HG SER A 117 34.643 -12.382 -1.753 1.00 35.54 H new ATOM 1761 N THR A 118 35.754 -10.697 1.146 1.00 33.43 N ATOM 1762 CA THR A 118 35.951 -9.316 1.568 1.00 53.23 C ATOM 1763 C THR A 118 35.015 -8.374 0.820 1.00 74.11 C ATOM 1764 O THR A 118 34.736 -8.570 -0.363 1.00 53.14 O ATOM 1765 CB THR A 118 37.405 -8.862 1.342 1.00 13.15 C ATOM 1766 OG1 THR A 118 37.554 -7.488 1.719 1.00 55.10 O ATOM 1767 CG2 THR A 118 37.808 -9.040 -0.113 1.00 63.23 C ATOM 0 H THR A 118 35.958 -10.870 0.162 1.00 33.43 H new ATOM 0 HA THR A 118 35.727 -9.276 2.634 1.00 53.23 H new ATOM 0 HB THR A 118 38.055 -9.481 1.961 1.00 13.15 H new ATOM 0 HG1 THR A 118 38.482 -7.208 1.574 1.00 55.10 H new ATOM 0 HG21 THR A 118 38.839 -8.713 -0.248 1.00 63.23 H new ATOM 0 HG22 THR A 118 37.722 -10.091 -0.388 1.00 63.23 H new ATOM 0 HG23 THR A 118 37.152 -8.444 -0.748 1.00 63.23 H new ATOM 1775 N THR A 119 34.531 -7.351 1.516 1.00 11.45 N ATOM 1776 CA THR A 119 33.625 -6.378 0.918 1.00 25.02 C ATOM 1777 C THR A 119 34.321 -5.582 -0.180 1.00 41.31 C ATOM 1778 O THR A 119 35.530 -5.701 -0.374 1.00 44.13 O ATOM 1779 CB THR A 119 33.073 -5.402 1.973 1.00 11.34 C ATOM 1780 OG1 THR A 119 34.131 -4.583 2.485 1.00 72.04 O ATOM 1781 CG2 THR A 119 32.411 -6.157 3.116 1.00 25.02 C ATOM 0 H THR A 119 34.751 -7.174 2.496 1.00 11.45 H new ATOM 0 HA THR A 119 32.797 -6.940 0.486 1.00 25.02 H new ATOM 0 HB THR A 119 32.325 -4.771 1.494 1.00 11.34 H new ATOM 0 HG1 THR A 119 33.771 -3.964 3.154 1.00 72.04 H new ATOM 0 HG21 THR A 119 32.029 -5.446 3.849 1.00 25.02 H new ATOM 0 HG22 THR A 119 31.587 -6.756 2.728 1.00 25.02 H new ATOM 0 HG23 THR A 119 33.142 -6.811 3.592 1.00 25.02 H new ATOM 1789 N ALA A 120 33.550 -4.770 -0.895 1.00 13.22 N ATOM 1790 CA ALA A 120 34.093 -3.951 -1.971 1.00 52.22 C ATOM 1791 C ALA A 120 34.389 -2.535 -1.489 1.00 55.15 C ATOM 1792 O ALA A 120 33.477 -1.723 -1.321 1.00 65.21 O ATOM 1793 CB ALA A 120 33.129 -3.921 -3.148 1.00 42.50 C ATOM 0 H ALA A 120 32.546 -4.662 -0.748 1.00 13.22 H new ATOM 0 HA ALA A 120 35.032 -4.398 -2.296 1.00 52.22 H new ATOM 0 HB1 ALA A 120 33.547 -3.306 -3.945 1.00 42.50 H new ATOM 0 HB2 ALA A 120 32.973 -4.935 -3.516 1.00 42.50 H new ATOM 0 HB3 ALA A 120 32.176 -3.501 -2.827 1.00 42.50 H new ATOM 1799 N VAL A 121 35.666 -2.244 -1.268 1.00 4.12 N ATOM 1800 CA VAL A 121 36.081 -0.925 -0.806 1.00 43.11 C ATOM 1801 C VAL A 121 37.464 -0.566 -1.338 1.00 30.44 C ATOM 1802 O VAL A 121 38.376 -1.392 -1.333 1.00 24.04 O ATOM 1803 CB VAL A 121 36.100 -0.850 0.733 1.00 72.25 C ATOM 1804 CG1 VAL A 121 37.081 -1.862 1.305 1.00 1.23 C ATOM 1805 CG2 VAL A 121 36.444 0.559 1.192 1.00 33.31 C ATOM 0 H VAL A 121 36.432 -2.904 -1.401 1.00 4.12 H new ATOM 0 HA VAL A 121 35.351 -0.212 -1.189 1.00 43.11 H new ATOM 0 HB VAL A 121 35.105 -1.096 1.105 1.00 72.25 H new ATOM 0 HG11 VAL A 121 37.081 -1.794 2.393 1.00 1.23 H new ATOM 0 HG12 VAL A 121 36.784 -2.867 1.004 1.00 1.23 H new ATOM 0 HG13 VAL A 121 38.082 -1.651 0.929 1.00 1.23 H new ATOM 0 HG21 VAL A 121 36.453 0.595 2.281 1.00 33.31 H new ATOM 0 HG22 VAL A 121 37.427 0.836 0.812 1.00 33.31 H new ATOM 0 HG23 VAL A 121 35.698 1.258 0.812 1.00 33.31 H new ATOM 1815 N VAL A 122 37.612 0.672 -1.797 1.00 21.23 N ATOM 1816 CA VAL A 122 38.885 1.142 -2.332 1.00 51.40 C ATOM 1817 C VAL A 122 39.809 1.614 -1.215 1.00 21.04 C ATOM 1818 O VAL A 122 39.410 1.691 -0.052 1.00 52.34 O ATOM 1819 CB VAL A 122 38.682 2.293 -3.335 1.00 74.35 C ATOM 1820 CG1 VAL A 122 37.816 1.838 -4.500 1.00 52.43 C ATOM 1821 CG2 VAL A 122 38.068 3.500 -2.644 1.00 10.13 C ATOM 0 H VAL A 122 36.867 1.368 -1.809 1.00 21.23 H new ATOM 0 HA VAL A 122 39.343 0.298 -2.847 1.00 51.40 H new ATOM 0 HB VAL A 122 39.656 2.585 -3.728 1.00 74.35 H new ATOM 0 HG11 VAL A 122 37.683 2.664 -5.199 1.00 52.43 H new ATOM 0 HG12 VAL A 122 38.301 1.005 -5.010 1.00 52.43 H new ATOM 0 HG13 VAL A 122 36.843 1.518 -4.127 1.00 52.43 H new ATOM 0 HG21 VAL A 122 37.932 4.303 -3.368 1.00 10.13 H new ATOM 0 HG22 VAL A 122 37.102 3.225 -2.221 1.00 10.13 H new ATOM 0 HG23 VAL A 122 38.730 3.838 -1.847 1.00 10.13 H new ATOM 1831 N THR A 123 41.050 1.930 -1.574 1.00 54.15 N ATOM 1832 CA THR A 123 42.032 2.395 -0.604 1.00 30.41 C ATOM 1833 C THR A 123 42.645 3.723 -1.034 1.00 22.22 C ATOM 1834 O THR A 123 42.737 4.018 -2.224 1.00 52.11 O ATOM 1835 CB THR A 123 43.158 1.363 -0.407 1.00 20.34 C ATOM 1836 OG1 THR A 123 44.111 1.852 0.544 1.00 33.22 O ATOM 1837 CG2 THR A 123 43.858 1.066 -1.726 1.00 21.05 C ATOM 0 H THR A 123 41.398 1.872 -2.531 1.00 54.15 H new ATOM 0 HA THR A 123 41.504 2.531 0.340 1.00 30.41 H new ATOM 0 HB THR A 123 42.713 0.441 -0.034 1.00 20.34 H new ATOM 0 HG1 THR A 123 44.823 1.189 0.665 1.00 33.22 H new ATOM 0 HG21 THR A 123 44.649 0.335 -1.561 1.00 21.05 H new ATOM 0 HG22 THR A 123 43.137 0.666 -2.439 1.00 21.05 H new ATOM 0 HG23 THR A 123 44.290 1.984 -2.124 1.00 21.05 H new ATOM 1845 N ASN A 124 43.064 4.520 -0.056 1.00 75.41 N ATOM 1846 CA ASN A 124 43.669 5.817 -0.334 1.00 53.22 C ATOM 1847 C ASN A 124 45.126 5.846 0.116 1.00 22.31 C ATOM 1848 O ASN A 124 45.563 5.043 0.941 1.00 32.20 O ATOM 1849 CB ASN A 124 42.885 6.929 0.366 1.00 13.12 C ATOM 1850 CG ASN A 124 42.302 6.479 1.693 1.00 63.22 C ATOM 1851 OD1 ASN A 124 43.035 6.159 2.629 1.00 54.42 O ATOM 1852 ND2 ASN A 124 40.977 6.451 1.778 1.00 64.04 N ATOM 0 H ASN A 124 42.996 4.290 0.935 1.00 75.41 H new ATOM 0 HA ASN A 124 43.637 5.981 -1.411 1.00 53.22 H new ATOM 0 HB2 ASN A 124 43.541 7.783 0.532 1.00 13.12 H new ATOM 0 HB3 ASN A 124 42.079 7.267 -0.286 1.00 13.12 H new ATOM 0 HD21 ASN A 124 40.528 6.156 2.645 1.00 64.04 H new ATOM 0 HD22 ASN A 124 40.409 6.725 0.977 1.00 64.04 H new ATOM 1859 N PRO A 125 45.897 6.794 -0.437 1.00 24.52 N ATOM 1860 CA PRO A 125 47.316 6.951 -0.107 1.00 24.42 C ATOM 1861 C PRO A 125 47.528 7.469 1.312 1.00 35.53 C ATOM 1862 O PRO A 125 46.569 7.704 2.047 1.00 10.22 O ATOM 1863 CB PRO A 125 47.807 7.979 -1.129 1.00 72.35 C ATOM 1864 CG PRO A 125 46.590 8.754 -1.500 1.00 62.25 C ATOM 1865 CD PRO A 125 45.443 7.785 -1.427 1.00 3.25 C ATOM 0 HA PRO A 125 47.850 6.002 -0.146 1.00 24.42 H new ATOM 0 HB2 PRO A 125 48.574 8.626 -0.703 1.00 72.35 H new ATOM 0 HB3 PRO A 125 48.248 7.493 -1.999 1.00 72.35 H new ATOM 0 HG2 PRO A 125 46.438 9.591 -0.818 1.00 62.25 H new ATOM 0 HG3 PRO A 125 46.684 9.172 -2.502 1.00 62.25 H new ATOM 0 HD2 PRO A 125 44.522 8.275 -1.112 1.00 3.25 H new ATOM 0 HD3 PRO A 125 45.244 7.324 -2.395 1.00 3.25 H new ATOM 1873 N LYS A 126 48.789 7.645 1.692 1.00 63.33 N ATOM 1874 CA LYS A 126 49.128 8.136 3.021 1.00 0.11 C ATOM 1875 C LYS A 126 48.794 9.618 3.155 1.00 52.52 C ATOM 1876 O LYS A 126 48.744 10.155 4.261 1.00 75.10 O ATOM 1877 CB LYS A 126 50.613 7.909 3.309 1.00 43.13 C ATOM 1878 CG LYS A 126 51.513 9.003 2.758 1.00 31.53 C ATOM 1879 CD LYS A 126 51.476 9.044 1.240 1.00 32.21 C ATOM 1880 CE LYS A 126 52.013 7.756 0.635 1.00 52.15 C ATOM 1881 NZ LYS A 126 53.406 7.473 1.077 1.00 22.22 N1+ ATOM 0 H LYS A 126 49.594 7.454 1.096 1.00 63.33 H new ATOM 0 HA LYS A 126 48.535 7.581 3.748 1.00 0.11 H new ATOM 0 HB2 LYS A 126 50.759 7.838 4.387 1.00 43.13 H new ATOM 0 HB3 LYS A 126 50.915 6.952 2.883 1.00 43.13 H new ATOM 0 HG2 LYS A 126 51.200 9.968 3.157 1.00 31.53 H new ATOM 0 HG3 LYS A 126 52.537 8.837 3.093 1.00 31.53 H new ATOM 0 HD2 LYS A 126 50.452 9.206 0.904 1.00 32.21 H new ATOM 0 HD3 LYS A 126 52.066 9.888 0.883 1.00 32.21 H new ATOM 0 HE2 LYS A 126 51.367 6.925 0.918 1.00 52.15 H new ATOM 0 HE3 LYS A 126 51.984 7.826 -0.452 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 53.824 6.746 0.462 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 53.972 8.343 1.018 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 53.396 7.132 2.059 1.00 22.22 H new ATOM 1895 N GLU A 127 48.566 10.274 2.020 1.00 3.11 N ATOM 1896 CA GLU A 127 48.236 11.694 2.012 1.00 3.11 C ATOM 1897 C GLU A 127 46.764 11.909 1.675 1.00 14.11 C ATOM 1898 O GLU A 127 45.962 12.253 2.543 1.00 23.13 O ATOM 1899 CB GLU A 127 49.115 12.439 1.005 1.00 11.02 C ATOM 1900 CG GLU A 127 50.463 12.860 1.568 1.00 14.01 C ATOM 1901 CD GLU A 127 51.360 13.490 0.520 1.00 3.05 C ATOM 1902 OE1 GLU A 127 50.952 14.508 -0.076 1.00 15.22 O ATOM 1903 OE2 GLU A 127 52.470 12.965 0.297 1.00 25.34 O1- ATOM 0 H GLU A 127 48.604 9.844 1.096 1.00 3.11 H new ATOM 0 HA GLU A 127 48.424 12.090 3.010 1.00 3.11 H new ATOM 0 HB2 GLU A 127 49.277 11.802 0.135 1.00 11.02 H new ATOM 0 HB3 GLU A 127 48.583 13.325 0.657 1.00 11.02 H new ATOM 0 HG2 GLU A 127 50.308 13.568 2.382 1.00 14.01 H new ATOM 0 HG3 GLU A 127 50.963 11.990 1.994 1.00 14.01 H new TER 1910 GLU A 127