USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=37 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 123 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 124 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.0027) USER MOD Set 2.1: A 75 THR OG1 : rot 142:sc= -0.473 USER MOD Set 2.2: A 88 HIS : no HE2:sc= -1.74 K(o=-2.2,f=-5.8!) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 78 TYR OH : rot 180:sc= -0.416 USER MOD Set 4.1: A 8 SER OG : rot 179:sc= 0.607 USER MOD Set 4.2: A 106 THR OG1 : rot 92:sc= 1.92 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.08 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -170:sc= -0.141 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -130:sc= -1.18 (180deg=-3.96!) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.842 (180deg=-1.38!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 27 ASN : amide:sc= -3.33 K(o=-3.3,f=-4.1!) USER MOD Single : A 31 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.00087) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.51 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 105:sc= 0.108 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0396 USER MOD Single : A 52 SER OG : rot -21:sc= 1.17 USER MOD Single : A 56 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.23) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -63:sc= -0.581 USER MOD Single : A 70 LYS NZ :NH3+ -134:sc= 0.747 (180deg=0.2) USER MOD Single : A 76 LYS NZ :NH3+ 166:sc=-0.00313 (180deg=-0.0682) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0775 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.951 X(o=-0.95,f=-0.57) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.4!) 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 110 MET CE :methyl -131:sc= -1.69 (180deg=-7.22!) USER MOD Single : A 112 SER OG : rot -84:sc= 0.0614 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 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 126 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0457) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.012 -3.354 6.310 1.00 61.14 N ATOM 2 CA GLY A 1 -2.617 -3.684 6.532 1.00 32.12 C ATOM 3 C GLY A 1 -1.688 -2.535 6.191 1.00 34.20 C ATOM 4 O GLY A 1 -2.125 -1.438 5.844 1.00 34.12 O ATOM 0 H1 GLY A 1 -4.578 -3.676 7.121 1.00 61.14 H new ATOM 0 H2 GLY A 1 -4.113 -2.324 6.205 1.00 61.14 H new ATOM 0 H3 GLY A 1 -4.347 -3.825 5.445 1.00 61.14 H new ATOM 0 HA2 GLY A 1 -2.475 -3.965 7.576 1.00 32.12 H new ATOM 0 HA3 GLY A 1 -2.352 -4.553 5.929 1.00 32.12 H new ATOM 8 N PRO A 2 -0.373 -2.783 6.288 1.00 40.13 N ATOM 9 CA PRO A 2 0.647 -1.772 5.992 1.00 12.23 C ATOM 10 C PRO A 2 0.720 -1.441 4.506 1.00 60.11 C ATOM 11 O PRO A 2 -0.124 -1.871 3.720 1.00 13.32 O ATOM 12 CB PRO A 2 1.946 -2.434 6.458 1.00 65.30 C ATOM 13 CG PRO A 2 1.678 -3.897 6.375 1.00 53.50 C ATOM 14 CD PRO A 2 0.218 -4.069 6.695 1.00 2.22 C ATOM 0 HA PRO A 2 0.436 -0.822 6.484 1.00 12.23 H new ATOM 0 HB2 PRO A 2 2.785 -2.149 5.823 1.00 65.30 H new ATOM 0 HB3 PRO A 2 2.200 -2.135 7.475 1.00 65.30 H new ATOM 0 HG2 PRO A 2 1.907 -4.280 5.381 1.00 53.50 H new ATOM 0 HG3 PRO A 2 2.300 -4.448 7.080 1.00 53.50 H new ATOM 0 HD2 PRO A 2 -0.218 -4.904 6.146 1.00 2.22 H new ATOM 0 HD3 PRO A 2 0.059 -4.267 7.755 1.00 2.22 H new ATOM 22 N THR A 3 1.737 -0.673 4.126 1.00 14.22 N ATOM 23 CA THR A 3 1.921 -0.283 2.733 1.00 30.12 C ATOM 24 C THR A 3 1.894 -1.499 1.814 1.00 52.42 C ATOM 25 O THR A 3 2.451 -2.546 2.137 1.00 64.13 O ATOM 26 CB THR A 3 3.250 0.469 2.531 1.00 60.14 C ATOM 27 OG1 THR A 3 4.352 -0.429 2.704 1.00 65.23 O ATOM 28 CG2 THR A 3 3.372 1.625 3.513 1.00 54.24 C ATOM 0 H THR A 3 2.445 -0.309 4.763 1.00 14.22 H new ATOM 0 HA THR A 3 1.094 0.380 2.479 1.00 30.12 H new ATOM 0 HB THR A 3 3.265 0.871 1.518 1.00 60.14 H new ATOM 0 HG1 THR A 3 5.193 0.056 2.572 1.00 65.23 H new ATOM 0 HG21 THR A 3 4.318 2.141 3.352 1.00 54.24 H new ATOM 0 HG22 THR A 3 2.548 2.322 3.359 1.00 54.24 H new ATOM 0 HG23 THR A 3 3.337 1.241 4.533 1.00 54.24 H new ATOM 36 N GLY A 4 1.241 -1.351 0.665 1.00 41.43 N ATOM 37 CA GLY A 4 1.154 -2.446 -0.285 1.00 44.14 C ATOM 38 C GLY A 4 2.029 -2.227 -1.504 1.00 45.21 C ATOM 39 O GLY A 4 1.783 -2.800 -2.565 1.00 55.11 O ATOM 0 H GLY A 4 0.771 -0.493 0.375 1.00 41.43 H new ATOM 0 HA2 GLY A 4 1.447 -3.374 0.207 1.00 44.14 H new ATOM 0 HA3 GLY A 4 0.118 -2.566 -0.602 1.00 44.14 H new ATOM 43 N THR A 5 3.055 -1.395 -1.352 1.00 31.41 N ATOM 44 CA THR A 5 3.967 -1.100 -2.449 1.00 22.34 C ATOM 45 C THR A 5 5.420 -1.255 -2.013 1.00 31.32 C ATOM 46 O THR A 5 5.754 -1.045 -0.848 1.00 14.22 O ATOM 47 CB THR A 5 3.755 0.328 -2.988 1.00 73.45 C ATOM 48 OG1 THR A 5 4.125 1.288 -1.992 1.00 5.02 O ATOM 49 CG2 THR A 5 2.305 0.544 -3.394 1.00 64.33 C ATOM 0 H THR A 5 3.275 -0.914 -0.480 1.00 31.41 H new ATOM 0 HA THR A 5 3.749 -1.816 -3.242 1.00 22.34 H new ATOM 0 HB THR A 5 4.385 0.457 -3.868 1.00 73.45 H new ATOM 0 HG1 THR A 5 3.842 2.182 -2.278 1.00 5.02 H new ATOM 0 HG21 THR A 5 2.180 1.559 -3.771 1.00 64.33 H new ATOM 0 HG22 THR A 5 2.035 -0.169 -4.174 1.00 64.33 H new ATOM 0 HG23 THR A 5 1.659 0.397 -2.529 1.00 64.33 H new ATOM 57 N GLY A 6 6.280 -1.624 -2.956 1.00 71.40 N ATOM 58 CA GLY A 6 7.688 -1.801 -2.650 1.00 40.22 C ATOM 59 C GLY A 6 8.507 -0.562 -2.951 1.00 10.15 C ATOM 60 O GLY A 6 9.709 -0.650 -3.200 1.00 53.20 O ATOM 0 H GLY A 6 6.027 -1.804 -3.928 1.00 71.40 H new ATOM 0 HA2 GLY A 6 7.798 -2.058 -1.597 1.00 40.22 H new ATOM 0 HA3 GLY A 6 8.079 -2.640 -3.226 1.00 40.22 H new ATOM 64 N GLU A 7 7.855 0.596 -2.931 1.00 40.40 N ATOM 65 CA GLU A 7 8.532 1.858 -3.206 1.00 12.15 C ATOM 66 C GLU A 7 8.781 2.635 -1.917 1.00 51.21 C ATOM 67 O GLU A 7 8.262 2.285 -0.858 1.00 21.41 O ATOM 68 CB GLU A 7 7.703 2.706 -4.174 1.00 43.22 C ATOM 69 CG GLU A 7 6.459 3.308 -3.544 1.00 35.11 C ATOM 70 CD GLU A 7 5.432 3.735 -4.574 1.00 70.21 C ATOM 71 OE1 GLU A 7 5.812 4.429 -5.541 1.00 72.12 O1- ATOM 72 OE2 GLU A 7 4.246 3.376 -4.413 1.00 64.44 O ATOM 0 H GLU A 7 6.860 0.687 -2.727 1.00 40.40 H new ATOM 0 HA GLU A 7 9.495 1.632 -3.664 1.00 12.15 H new ATOM 0 HB2 GLU A 7 8.327 3.510 -4.565 1.00 43.22 H new ATOM 0 HB3 GLU A 7 7.408 2.089 -5.023 1.00 43.22 H new ATOM 0 HG2 GLU A 7 6.010 2.580 -2.869 1.00 35.11 H new ATOM 0 HG3 GLU A 7 6.743 4.170 -2.940 1.00 35.11 H new ATOM 79 N SER A 8 9.579 3.694 -2.016 1.00 30.32 N ATOM 80 CA SER A 8 9.900 4.519 -0.858 1.00 50.54 C ATOM 81 C SER A 8 9.260 5.899 -0.979 1.00 74.54 C ATOM 82 O SER A 8 8.431 6.137 -1.857 1.00 32.03 O ATOM 83 CB SER A 8 11.417 4.659 -0.710 1.00 2.22 C ATOM 84 OG SER A 8 12.049 3.392 -0.717 1.00 41.42 O ATOM 0 H SER A 8 10.015 4.000 -2.886 1.00 30.32 H new ATOM 0 HA SER A 8 9.499 4.028 0.029 1.00 50.54 H new ATOM 0 HB2 SER A 8 11.810 5.269 -1.523 1.00 2.22 H new ATOM 0 HB3 SER A 8 11.648 5.179 0.220 1.00 2.22 H new ATOM 0 HG SER A 8 13.019 3.510 -0.637 1.00 41.42 H new ATOM 90 N LYS A 9 9.652 6.805 -0.090 1.00 25.14 N ATOM 91 CA LYS A 9 9.119 8.163 -0.096 1.00 4.14 C ATOM 92 C LYS A 9 10.245 9.190 -0.167 1.00 50.55 C ATOM 93 O LYS A 9 10.471 9.805 -1.211 1.00 2.11 O ATOM 94 CB LYS A 9 8.273 8.406 1.157 1.00 2.34 C ATOM 95 CG LYS A 9 8.650 7.516 2.327 1.00 10.32 C ATOM 96 CD LYS A 9 7.878 6.208 2.305 1.00 40.34 C ATOM 97 CE LYS A 9 8.792 5.018 2.558 1.00 14.34 C ATOM 98 NZ LYS A 9 9.138 4.880 4.000 1.00 60.34 N1+ ATOM 0 H LYS A 9 10.337 6.624 0.644 1.00 25.14 H new ATOM 0 HA LYS A 9 8.491 8.276 -0.980 1.00 4.14 H new ATOM 0 HB2 LYS A 9 8.375 9.449 1.457 1.00 2.34 H new ATOM 0 HB3 LYS A 9 7.223 8.246 0.913 1.00 2.34 H new ATOM 0 HG2 LYS A 9 9.720 7.309 2.297 1.00 10.32 H new ATOM 0 HG3 LYS A 9 8.453 8.040 3.262 1.00 10.32 H new ATOM 0 HD2 LYS A 9 7.094 6.234 3.062 1.00 40.34 H new ATOM 0 HD3 LYS A 9 7.385 6.091 1.340 1.00 40.34 H new ATOM 0 HE2 LYS A 9 8.305 4.106 2.213 1.00 14.34 H new ATOM 0 HE3 LYS A 9 9.706 5.132 1.975 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 9.762 4.058 4.130 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 9.626 5.740 4.324 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 8.268 4.746 4.554 1.00 60.34 H new ATOM 112 N CYS A 10 10.949 9.368 0.944 1.00 54.34 N ATOM 113 CA CYS A 10 12.052 10.319 1.007 1.00 63.03 C ATOM 114 C CYS A 10 13.062 10.054 -0.105 1.00 10.52 C ATOM 115 O CYS A 10 13.113 8.970 -0.684 1.00 12.21 O ATOM 116 CB CYS A 10 12.743 10.243 2.370 1.00 2.32 C ATOM 117 SG CYS A 10 12.012 11.314 3.629 1.00 4.01 S ATOM 0 H CYS A 10 10.776 8.866 1.815 1.00 54.34 H new ATOM 0 HA CYS A 10 11.644 11.320 0.871 1.00 63.03 H new ATOM 0 HB2 CYS A 10 12.713 9.212 2.723 1.00 2.32 H new ATOM 0 HB3 CYS A 10 13.793 10.508 2.248 1.00 2.32 H new ATOM 0 HG CYS A 10 12.663 11.178 4.746 1.00 4.01 H new ATOM 123 N PRO A 11 13.884 11.069 -0.412 1.00 53.44 N ATOM 124 CA PRO A 11 14.907 10.970 -1.457 1.00 54.45 C ATOM 125 C PRO A 11 16.047 10.036 -1.066 1.00 45.03 C ATOM 126 O PRO A 11 16.725 9.473 -1.928 1.00 23.34 O ATOM 127 CB PRO A 11 15.417 12.407 -1.593 1.00 72.55 C ATOM 128 CG PRO A 11 15.140 13.033 -0.268 1.00 3.34 C ATOM 129 CD PRO A 11 13.879 12.390 0.238 1.00 61.21 C ATOM 0 HA PRO A 11 14.505 10.557 -2.382 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.481 12.429 -1.827 1.00 72.55 H new ATOM 0 HB3 PRO A 11 14.903 12.935 -2.396 1.00 72.55 H new ATOM 0 HG2 PRO A 11 15.967 12.867 0.423 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.017 14.112 -0.364 1.00 3.34 H new ATOM 0 HD2 PRO A 11 13.881 12.303 1.325 1.00 61.21 H new ATOM 0 HD3 PRO A 11 12.996 12.968 -0.034 1.00 61.21 H new ATOM 137 N LEU A 12 16.252 9.873 0.236 1.00 63.12 N ATOM 138 CA LEU A 12 17.311 9.005 0.741 1.00 52.33 C ATOM 139 C LEU A 12 16.882 8.319 2.034 1.00 2.43 C ATOM 140 O LEU A 12 16.662 8.974 3.052 1.00 13.02 O ATOM 141 CB LEU A 12 18.589 9.811 0.978 1.00 40.22 C ATOM 142 CG LEU A 12 19.864 8.998 1.203 1.00 11.33 C ATOM 143 CD1 LEU A 12 19.862 8.377 2.591 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.006 7.923 0.136 1.00 15.23 C ATOM 0 H LEU A 12 15.699 10.330 0.961 1.00 63.12 H new ATOM 0 HA LEU A 12 17.506 8.238 -0.008 1.00 52.33 H new ATOM 0 HB2 LEU A 12 18.746 10.465 0.121 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.434 10.453 1.845 1.00 40.22 H new ATOM 0 HG LEU A 12 20.719 9.670 1.129 1.00 11.33 H new ATOM 0 HD11 LEU A 12 20.777 7.802 2.734 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.808 9.165 3.342 1.00 73.42 H new ATOM 0 HD13 LEU A 12 19.000 7.718 2.694 1.00 73.42 H new ATOM 0 HD21 LEU A 12 20.919 7.354 0.312 1.00 15.23 H new ATOM 0 HD22 LEU A 12 19.147 7.253 0.178 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.054 8.391 -0.847 1.00 15.23 H new ATOM 156 N MET A 13 16.766 6.996 1.985 1.00 61.20 N ATOM 157 CA MET A 13 16.367 6.221 3.154 1.00 22.34 C ATOM 158 C MET A 13 17.271 5.006 3.335 1.00 2.51 C ATOM 159 O MET A 13 17.780 4.448 2.363 1.00 53.15 O ATOM 160 CB MET A 13 14.911 5.772 3.021 1.00 74.34 C ATOM 161 CG MET A 13 14.666 4.843 1.842 1.00 62.10 C ATOM 162 SD MET A 13 13.396 3.609 2.182 1.00 31.34 S ATOM 163 CE MET A 13 14.244 2.569 3.369 1.00 60.31 C ATOM 0 H MET A 13 16.942 6.439 1.149 1.00 61.20 H new ATOM 0 HA MET A 13 16.465 6.859 4.033 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.610 5.268 3.939 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.276 6.652 2.918 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.370 5.433 0.975 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.597 4.339 1.582 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.158 1.526 3.065 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.297 2.849 3.412 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.794 2.699 4.353 1.00 60.31 H new ATOM 173 N VAL A 14 17.468 4.602 4.586 1.00 21.22 N ATOM 174 CA VAL A 14 18.311 3.453 4.895 1.00 2.34 C ATOM 175 C VAL A 14 17.468 2.214 5.181 1.00 34.21 C ATOM 176 O VAL A 14 16.494 2.272 5.933 1.00 35.53 O ATOM 177 CB VAL A 14 19.219 3.732 6.106 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.025 2.494 6.466 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.137 4.912 5.822 1.00 44.55 C ATOM 0 H VAL A 14 17.055 5.054 5.402 1.00 21.22 H new ATOM 0 HA VAL A 14 18.933 3.272 4.018 1.00 2.34 H new ATOM 0 HB VAL A 14 18.590 3.987 6.959 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.661 2.711 7.324 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.347 1.678 6.714 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.646 2.205 5.618 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.772 5.096 6.689 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.760 4.688 4.956 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.537 5.799 5.617 1.00 44.55 H new ATOM 189 N LYS A 15 17.849 1.094 4.577 1.00 20.03 N ATOM 190 CA LYS A 15 17.131 -0.161 4.768 1.00 34.30 C ATOM 191 C LYS A 15 18.062 -1.246 5.299 1.00 62.02 C ATOM 192 O LYS A 15 18.935 -1.736 4.582 1.00 61.44 O ATOM 193 CB LYS A 15 16.501 -0.616 3.450 1.00 53.00 C ATOM 194 CG LYS A 15 15.898 -2.009 3.512 1.00 15.14 C ATOM 195 CD LYS A 15 14.716 -2.062 4.465 1.00 41.01 C ATOM 196 CE LYS A 15 15.109 -2.657 5.808 1.00 63.11 C ATOM 197 NZ LYS A 15 14.022 -3.498 6.383 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.651 1.029 3.951 1.00 20.03 H new ATOM 0 HA LYS A 15 16.343 0.008 5.502 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.725 0.094 3.164 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.259 -0.592 2.667 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.577 -2.312 2.515 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.658 -2.722 3.833 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.321 -1.057 4.613 1.00 41.01 H new ATOM 0 HD3 LYS A 15 13.917 -2.657 4.022 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.009 -3.260 5.688 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.353 -1.854 6.503 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.179 -3.618 7.404 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.104 -3.034 6.226 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.022 -4.430 5.921 1.00 53.54 H new ATOM 211 N VAL A 16 17.871 -1.618 6.560 1.00 25.51 N ATOM 212 CA VAL A 16 18.691 -2.647 7.187 1.00 72.30 C ATOM 213 C VAL A 16 17.834 -3.800 7.695 1.00 42.30 C ATOM 214 O VAL A 16 16.965 -3.614 8.548 1.00 53.32 O ATOM 215 CB VAL A 16 19.510 -2.075 8.360 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.383 -3.156 8.979 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.353 -0.896 7.896 1.00 21.20 C ATOM 0 H VAL A 16 17.155 -1.222 7.168 1.00 25.51 H new ATOM 0 HA VAL A 16 19.374 -3.016 6.422 1.00 72.30 H new ATOM 0 HB VAL A 16 18.819 -1.719 9.124 1.00 4.53 H new ATOM 0 HG11 VAL A 16 20.954 -2.733 9.806 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.753 -3.965 9.349 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.068 -3.545 8.226 1.00 11.20 H new ATOM 0 HG21 VAL A 16 20.925 -0.504 8.737 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.037 -1.224 7.113 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.702 -0.114 7.505 1.00 21.20 H new ATOM 227 N LEU A 17 18.083 -4.993 7.167 1.00 45.53 N ATOM 228 CA LEU A 17 17.334 -6.180 7.566 1.00 34.25 C ATOM 229 C LEU A 17 18.259 -7.383 7.713 1.00 35.30 C ATOM 230 O LEU A 17 19.304 -7.458 7.067 1.00 14.24 O ATOM 231 CB LEU A 17 16.239 -6.485 6.542 1.00 4.15 C ATOM 232 CG LEU A 17 16.659 -7.337 5.346 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.282 -8.793 5.569 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.024 -6.811 4.067 1.00 44.01 C ATOM 0 H LEU A 17 18.799 -5.165 6.461 1.00 45.53 H new ATOM 0 HA LEU A 17 16.872 -5.980 8.533 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.421 -6.992 7.054 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.845 -5.540 6.169 1.00 4.15 H new ATOM 0 HG LEU A 17 17.742 -7.275 5.243 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.589 -9.385 4.707 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.783 -9.166 6.462 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.203 -8.874 5.699 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.334 -7.430 3.225 1.00 44.01 H new ATOM 0 HD22 LEU A 17 14.938 -6.843 4.160 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.344 -5.783 3.898 1.00 44.01 H new ATOM 246 N ASP A 18 17.865 -8.325 8.564 1.00 35.22 N ATOM 247 CA ASP A 18 18.657 -9.527 8.793 1.00 62.01 C ATOM 248 C ASP A 18 18.428 -10.549 7.683 1.00 31.11 C ATOM 249 O ASP A 18 17.289 -10.857 7.336 1.00 73.51 O ATOM 250 CB ASP A 18 18.308 -10.143 10.149 1.00 12.00 C ATOM 251 CG ASP A 18 16.812 -10.236 10.374 1.00 12.43 C ATOM 252 OD1 ASP A 18 16.172 -11.116 9.760 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 16.280 -9.430 11.167 1.00 41.53 O ATOM 0 H ASP A 18 17.002 -8.279 9.106 1.00 35.22 H new ATOM 0 HA ASP A 18 19.710 -9.244 8.791 1.00 62.01 H new ATOM 0 HB2 ASP A 18 18.745 -11.139 10.216 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.755 -9.545 10.943 1.00 12.00 H new ATOM 258 N ALA A 19 19.519 -11.068 7.129 1.00 34.14 N ATOM 259 CA ALA A 19 19.437 -12.055 6.060 1.00 74.24 C ATOM 260 C ALA A 19 19.218 -13.456 6.621 1.00 42.11 C ATOM 261 O ALA A 19 18.993 -14.407 5.872 1.00 25.21 O ATOM 262 CB ALA A 19 20.697 -12.016 5.209 1.00 45.22 C ATOM 0 H ALA A 19 20.470 -10.821 7.403 1.00 34.14 H new ATOM 0 HA ALA A 19 18.580 -11.806 5.434 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.622 -12.758 4.414 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.809 -11.025 4.770 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.564 -12.237 5.832 1.00 45.22 H new ATOM 268 N VAL A 20 19.285 -13.576 7.943 1.00 34.04 N ATOM 269 CA VAL A 20 19.094 -14.862 8.604 1.00 21.35 C ATOM 270 C VAL A 20 17.613 -15.188 8.754 1.00 44.04 C ATOM 271 O VAL A 20 17.192 -16.325 8.544 1.00 43.12 O ATOM 272 CB VAL A 20 19.757 -14.882 9.994 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.602 -16.251 10.640 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.224 -14.495 9.890 1.00 3.13 C ATOM 0 H VAL A 20 19.470 -12.799 8.577 1.00 34.04 H new ATOM 0 HA VAL A 20 19.566 -15.616 7.974 1.00 21.35 H new ATOM 0 HB VAL A 20 19.256 -14.150 10.627 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.077 -16.246 11.621 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.543 -16.483 10.750 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.075 -17.005 10.012 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.677 -14.514 10.881 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.742 -15.201 9.241 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.307 -13.491 9.473 1.00 3.13 H new ATOM 284 N ARG A 21 16.825 -14.181 9.119 1.00 13.31 N ATOM 285 CA ARG A 21 15.390 -14.360 9.299 1.00 41.52 C ATOM 286 C ARG A 21 14.610 -13.637 8.203 1.00 40.44 C ATOM 287 O ARG A 21 13.529 -14.070 7.809 1.00 1.41 O ATOM 288 CB ARG A 21 14.958 -13.844 10.673 1.00 42.31 C ATOM 289 CG ARG A 21 15.929 -14.194 11.788 1.00 55.31 C ATOM 290 CD ARG A 21 16.754 -12.988 12.208 1.00 11.13 C ATOM 291 NE ARG A 21 17.014 -12.976 13.645 1.00 51.30 N ATOM 292 CZ ARG A 21 17.436 -11.905 14.306 1.00 13.52 C ATOM 293 NH1 ARG A 21 17.644 -10.764 13.664 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 17.650 -11.972 15.614 1.00 1.52 N ATOM 0 H ARG A 21 17.157 -13.233 9.296 1.00 13.31 H new ATOM 0 HA ARG A 21 15.171 -15.426 9.234 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.847 -12.761 10.626 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.978 -14.255 10.914 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.376 -14.575 12.647 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.593 -14.992 11.456 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.701 -12.991 11.668 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.230 -12.075 11.927 1.00 11.13 H new ATOM 0 HE ARG A 21 16.863 -13.838 14.169 1.00 51.30 H new ATOM 0 HH11 ARG A 21 17.480 -10.707 12.659 1.00 72.23 H new ATOM 0 HH12 ARG A 21 17.968 -9.943 14.175 1.00 72.23 H new ATOM 0 HH21 ARG A 21 17.490 -12.847 16.113 1.00 1.52 H new ATOM 0 HH22 ARG A 21 17.974 -11.148 16.121 1.00 1.52 H new ATOM 308 N GLY A 22 15.169 -12.533 7.718 1.00 74.32 N ATOM 309 CA GLY A 22 14.513 -11.768 6.674 1.00 71.21 C ATOM 310 C GLY A 22 13.675 -10.631 7.227 1.00 53.11 C ATOM 311 O GLY A 22 12.828 -10.077 6.528 1.00 34.42 O ATOM 0 H GLY A 22 16.064 -12.155 8.029 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.265 -11.364 5.996 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.878 -12.431 6.087 1.00 71.21 H new ATOM 315 N SER A 23 13.911 -10.284 8.489 1.00 51.51 N ATOM 316 CA SER A 23 13.168 -9.210 9.137 1.00 3.34 C ATOM 317 C SER A 23 14.048 -7.978 9.327 1.00 32.43 C ATOM 318 O SER A 23 15.275 -8.044 9.255 1.00 43.34 O ATOM 319 CB SER A 23 12.629 -9.679 10.491 1.00 71.44 C ATOM 320 OG SER A 23 13.195 -10.925 10.861 1.00 35.11 O ATOM 0 H SER A 23 14.610 -10.731 9.082 1.00 51.51 H new ATOM 0 HA SER A 23 12.331 -8.941 8.493 1.00 3.34 H new ATOM 0 HB2 SER A 23 12.853 -8.933 11.254 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.544 -9.769 10.443 1.00 71.44 H new ATOM 0 HG SER A 23 12.836 -11.202 11.730 1.00 35.11 H new ATOM 326 N PRO A 24 13.407 -6.826 9.575 1.00 34.11 N ATOM 327 CA PRO A 24 14.110 -5.556 9.780 1.00 75.01 C ATOM 328 C PRO A 24 14.879 -5.526 11.098 1.00 32.44 C ATOM 329 O PRO A 24 14.456 -6.123 12.087 1.00 65.23 O ATOM 330 CB PRO A 24 12.980 -4.524 9.796 1.00 55.43 C ATOM 331 CG PRO A 24 11.776 -5.287 10.228 1.00 2.33 C ATOM 332 CD PRO A 24 11.946 -6.675 9.675 1.00 25.13 C ATOM 0 HA PRO A 24 14.859 -5.375 9.009 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.199 -3.708 10.484 1.00 55.43 H new ATOM 0 HB3 PRO A 24 12.835 -4.080 8.811 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.696 -5.307 11.315 1.00 2.33 H new ATOM 0 HG3 PRO A 24 10.864 -4.825 9.849 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.509 -7.426 10.333 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.464 -6.782 8.704 1.00 25.13 H new ATOM 340 N ALA A 25 16.008 -4.827 11.102 1.00 41.01 N ATOM 341 CA ALA A 25 16.835 -4.717 12.297 1.00 63.44 C ATOM 342 C ALA A 25 16.493 -3.458 13.086 1.00 30.11 C ATOM 343 O ALA A 25 16.329 -2.381 12.511 1.00 75.14 O ATOM 344 CB ALA A 25 18.309 -4.726 11.923 1.00 64.11 C ATOM 0 H ALA A 25 16.372 -4.328 10.290 1.00 41.01 H new ATOM 0 HA ALA A 25 16.629 -5.579 12.932 1.00 63.44 H new ATOM 0 HB1 ALA A 25 18.914 -4.643 12.826 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.549 -5.657 11.410 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.522 -3.884 11.265 1.00 64.11 H new ATOM 350 N ILE A 26 16.390 -3.599 14.403 1.00 43.00 N ATOM 351 CA ILE A 26 16.069 -2.471 15.269 1.00 13.15 C ATOM 352 C ILE A 26 17.300 -1.998 16.035 1.00 11.44 C ATOM 353 O ILE A 26 18.096 -2.807 16.510 1.00 75.40 O ATOM 354 CB ILE A 26 14.960 -2.831 16.274 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.584 -2.514 15.685 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.167 -2.082 17.582 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.145 -1.084 15.911 1.00 11.12 C ATOM 0 H ILE A 26 16.524 -4.483 14.894 1.00 43.00 H new ATOM 0 HA ILE A 26 15.715 -1.668 14.623 1.00 13.15 H new ATOM 0 HB ILE A 26 15.009 -3.901 16.478 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.601 -2.715 14.614 1.00 52.34 H new ATOM 0 HG13 ILE A 26 12.846 -3.186 16.124 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.375 -2.347 18.282 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.133 -2.353 18.007 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.141 -1.009 17.395 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.161 -0.931 15.467 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.095 -0.883 16.981 1.00 11.12 H new ATOM 0 HD13 ILE A 26 13.862 -0.406 15.448 1.00 11.12 H new ATOM 369 N ASN A 27 17.449 -0.683 16.152 1.00 72.15 N ATOM 370 CA ASN A 27 18.583 -0.102 16.862 1.00 74.24 C ATOM 371 C ASN A 27 19.895 -0.452 16.169 1.00 65.44 C ATOM 372 O ASN A 27 20.778 -1.074 16.762 1.00 74.45 O ATOM 373 CB ASN A 27 18.610 -0.594 18.310 1.00 42.11 C ATOM 374 CG ASN A 27 17.283 -0.391 19.016 1.00 53.35 C ATOM 375 OD1 ASN A 27 16.844 -1.239 19.791 1.00 33.42 O ATOM 376 ND2 ASN A 27 16.639 0.740 18.750 1.00 65.05 N ATOM 0 H ASN A 27 16.799 0.001 15.764 1.00 72.15 H new ATOM 0 HA ASN A 27 18.468 0.982 16.856 1.00 74.24 H new ATOM 0 HB2 ASN A 27 18.868 -1.653 18.326 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.393 -0.067 18.855 1.00 42.11 H new ATOM 0 HD21 ASN A 27 15.742 0.933 19.196 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.041 1.415 18.100 1.00 65.05 H new ATOM 383 N VAL A 28 20.019 -0.049 14.908 1.00 63.23 N ATOM 384 CA VAL A 28 21.224 -0.318 14.134 1.00 64.00 C ATOM 385 C VAL A 28 21.935 0.976 13.755 1.00 62.33 C ATOM 386 O VAL A 28 21.439 1.752 12.937 1.00 75.42 O ATOM 387 CB VAL A 28 20.903 -1.109 12.851 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.161 -1.310 12.020 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.262 -2.444 13.197 1.00 70.12 C ATOM 0 H VAL A 28 19.299 0.465 14.401 1.00 63.23 H new ATOM 0 HA VAL A 28 21.879 -0.917 14.767 1.00 64.00 H new ATOM 0 HB VAL A 28 20.193 -0.534 12.257 1.00 51.21 H new ATOM 0 HG11 VAL A 28 21.915 -1.870 11.118 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.573 -0.340 11.743 1.00 23.21 H new ATOM 0 HG13 VAL A 28 22.897 -1.864 12.602 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.042 -2.990 12.280 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.947 -3.028 13.812 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.337 -2.272 13.748 1.00 70.12 H new ATOM 399 N ALA A 29 23.099 1.204 14.353 1.00 51.31 N ATOM 400 CA ALA A 29 23.880 2.404 14.077 1.00 14.44 C ATOM 401 C ALA A 29 24.219 2.508 12.595 1.00 34.01 C ATOM 402 O ALA A 29 24.727 1.559 11.995 1.00 1.50 O ATOM 403 CB ALA A 29 25.150 2.411 14.914 1.00 51.41 C ATOM 0 H ALA A 29 23.523 0.573 15.033 1.00 51.31 H new ATOM 0 HA ALA A 29 23.277 3.271 14.346 1.00 14.44 H new ATOM 0 HB1 ALA A 29 25.723 3.312 14.698 1.00 51.41 H new ATOM 0 HB2 ALA A 29 24.889 2.392 15.972 1.00 51.41 H new ATOM 0 HB3 ALA A 29 25.750 1.533 14.673 1.00 51.41 H new ATOM 409 N VAL A 30 23.937 3.666 12.006 1.00 53.05 N ATOM 410 CA VAL A 30 24.212 3.894 10.593 1.00 30.12 C ATOM 411 C VAL A 30 24.775 5.291 10.362 1.00 13.12 C ATOM 412 O VAL A 30 24.252 6.278 10.882 1.00 14.35 O ATOM 413 CB VAL A 30 22.944 3.715 9.738 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.270 3.874 8.260 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.306 2.361 10.009 1.00 21.10 C ATOM 0 H VAL A 30 23.518 4.462 12.487 1.00 53.05 H new ATOM 0 HA VAL A 30 24.952 3.153 10.291 1.00 30.12 H new ATOM 0 HB VAL A 30 22.228 4.490 10.013 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.362 3.744 7.671 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.679 4.869 8.082 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.003 3.123 7.966 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.411 2.251 9.396 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.014 1.569 9.763 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.035 2.291 11.063 1.00 21.10 H new ATOM 425 N HIS A 31 25.846 5.371 9.578 1.00 64.03 N ATOM 426 CA HIS A 31 26.481 6.648 9.276 1.00 64.42 C ATOM 427 C HIS A 31 26.588 6.859 7.768 1.00 32.44 C ATOM 428 O HIS A 31 27.151 6.029 7.054 1.00 61.22 O ATOM 429 CB HIS A 31 27.868 6.716 9.913 1.00 31.03 C ATOM 430 CG HIS A 31 27.911 6.188 11.314 1.00 51.53 C ATOM 431 ND1 HIS A 31 27.921 7.004 12.425 1.00 72.45 N ATOM 432 CD2 HIS A 31 27.944 4.917 11.781 1.00 62.03 C ATOM 433 CE1 HIS A 31 27.962 6.258 13.516 1.00 20.24 C ATOM 434 NE2 HIS A 31 27.975 4.988 13.152 1.00 41.10 N ATOM 0 H HIS A 31 26.292 4.565 9.140 1.00 64.03 H new ATOM 0 HA HIS A 31 25.860 7.441 9.692 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.569 6.150 9.299 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.208 7.752 9.913 1.00 31.03 H new ATOM 0 HD2 HIS A 31 27.946 4.016 11.186 1.00 62.03 H new ATOM 0 HE1 HIS A 31 27.982 6.624 14.532 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.003 4.190 13.786 1.00 41.10 H new ATOM 442 N VAL A 32 26.045 7.974 7.291 1.00 24.00 N ATOM 443 CA VAL A 32 26.080 8.294 5.869 1.00 4.03 C ATOM 444 C VAL A 32 27.092 9.397 5.579 1.00 11.32 C ATOM 445 O VAL A 32 27.151 10.402 6.287 1.00 31.44 O ATOM 446 CB VAL A 32 24.696 8.735 5.358 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.679 8.786 3.838 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.614 7.801 5.879 1.00 32.45 C ATOM 0 H VAL A 32 25.575 8.671 7.869 1.00 24.00 H new ATOM 0 HA VAL A 32 26.378 7.385 5.347 1.00 4.03 H new ATOM 0 HB VAL A 32 24.492 9.738 5.734 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.693 9.100 3.495 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.427 9.498 3.489 1.00 52.25 H new ATOM 0 HG13 VAL A 32 24.905 7.797 3.438 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.642 8.127 5.508 1.00 32.45 H new ATOM 0 HG22 VAL A 32 23.812 6.786 5.534 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.611 7.819 6.969 1.00 32.45 H new ATOM 458 N PHE A 33 27.888 9.201 4.533 1.00 51.12 N ATOM 459 CA PHE A 33 28.899 10.180 4.148 1.00 51.45 C ATOM 460 C PHE A 33 28.782 10.529 2.668 1.00 55.55 C ATOM 461 O PHE A 33 28.101 9.840 1.908 1.00 10.22 O ATOM 462 CB PHE A 33 30.300 9.643 4.448 1.00 10.20 C ATOM 463 CG PHE A 33 30.652 9.670 5.908 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.107 8.745 6.784 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.528 10.622 6.404 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.431 8.767 8.128 1.00 11.13 C ATOM 467 CE2 PHE A 33 31.855 10.650 7.747 1.00 73.04 C ATOM 468 CZ PHE A 33 31.304 9.722 8.609 1.00 5.30 C ATOM 0 H PHE A 33 27.853 8.374 3.937 1.00 51.12 H new ATOM 0 HA PHE A 33 28.732 11.086 4.731 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.373 8.618 4.084 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.032 10.231 3.895 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.421 7.998 6.413 1.00 34.41 H new ATOM 0 HD2 PHE A 33 31.960 11.350 5.734 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.002 8.039 8.800 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.540 11.396 8.121 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.556 9.744 9.659 1.00 5.30 H new ATOM 478 N ARG A 34 29.451 11.604 2.265 1.00 64.43 N ATOM 479 CA ARG A 34 29.421 12.047 0.875 1.00 65.22 C ATOM 480 C ARG A 34 30.832 12.312 0.359 1.00 15.34 C ATOM 481 O ARG A 34 31.705 12.759 1.105 1.00 10.42 O ATOM 482 CB ARG A 34 28.572 13.312 0.739 1.00 44.03 C ATOM 483 CG ARG A 34 28.387 13.769 -0.699 1.00 42.14 C ATOM 484 CD ARG A 34 29.381 14.860 -1.067 1.00 65.22 C ATOM 485 NE ARG A 34 29.080 15.458 -2.366 1.00 22.33 N ATOM 486 CZ ARG A 34 29.248 14.825 -3.522 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.711 13.584 -3.541 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 28.952 15.436 -4.662 1.00 1.52 N ATOM 0 H ARG A 34 30.020 12.185 2.881 1.00 64.43 H new ATOM 0 HA ARG A 34 28.976 11.252 0.276 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.593 13.132 1.183 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.038 14.115 1.310 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.511 12.920 -1.371 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.371 14.139 -0.837 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.370 15.634 -0.300 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.388 14.443 -1.084 1.00 65.22 H new ATOM 0 HE ARG A 34 28.722 16.413 -2.386 1.00 22.33 H new ATOM 0 HH11 ARG A 34 29.940 13.112 -2.666 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.839 13.101 -4.430 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.596 16.392 -4.651 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.081 14.950 -5.550 1.00 1.52 H new ATOM 502 N LYS A 35 31.050 12.032 -0.921 1.00 52.41 N ATOM 503 CA LYS A 35 32.355 12.241 -1.539 1.00 13.50 C ATOM 504 C LYS A 35 32.688 13.726 -1.620 1.00 22.12 C ATOM 505 O LYS A 35 32.097 14.463 -2.408 1.00 23.40 O ATOM 506 CB LYS A 35 32.383 11.625 -2.940 1.00 52.13 C ATOM 507 CG LYS A 35 33.468 12.197 -3.835 1.00 14.31 C ATOM 508 CD LYS A 35 34.854 11.933 -3.269 1.00 53.52 C ATOM 509 CE LYS A 35 35.220 10.459 -3.358 1.00 23.31 C ATOM 510 NZ LYS A 35 36.111 10.178 -4.518 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.340 11.660 -1.551 1.00 52.41 H new ATOM 0 HA LYS A 35 33.105 11.752 -0.918 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.527 10.548 -2.851 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.414 11.779 -3.415 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.390 11.757 -4.829 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.319 13.271 -3.949 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.590 12.525 -3.813 1.00 53.52 H new ATOM 0 HD3 LYS A 35 34.891 12.256 -2.229 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.715 10.151 -2.437 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.311 9.864 -3.446 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.338 9.163 -4.544 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.629 10.448 -5.399 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 36.989 10.726 -4.422 1.00 21.52 H new ATOM 524 N ALA A 36 33.640 14.161 -0.798 1.00 11.43 N ATOM 525 CA ALA A 36 34.053 15.558 -0.779 1.00 5.53 C ATOM 526 C ALA A 36 34.825 15.918 -2.043 1.00 3.33 C ATOM 527 O ALA A 36 35.419 15.054 -2.687 1.00 43.41 O ATOM 528 CB ALA A 36 34.895 15.842 0.456 1.00 65.22 C ATOM 0 H ALA A 36 34.139 13.565 -0.137 1.00 11.43 H new ATOM 0 HA ALA A 36 33.156 16.177 -0.744 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.197 16.889 0.458 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.310 15.632 1.351 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.782 15.209 0.445 1.00 65.22 H new ATOM 534 N ALA A 37 34.813 17.200 -2.393 1.00 31.41 N ATOM 535 CA ALA A 37 35.514 17.675 -3.579 1.00 53.45 C ATOM 536 C ALA A 37 37.007 17.372 -3.494 1.00 42.42 C ATOM 537 O ALA A 37 37.703 17.345 -4.509 1.00 11.14 O ATOM 538 CB ALA A 37 35.287 19.169 -3.765 1.00 43.21 C ATOM 0 H ALA A 37 34.325 17.928 -1.872 1.00 31.41 H new ATOM 0 HA ALA A 37 35.111 17.147 -4.443 1.00 53.45 H new ATOM 0 HB1 ALA A 37 35.817 19.510 -4.655 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.221 19.363 -3.881 1.00 43.21 H new ATOM 0 HB3 ALA A 37 35.661 19.705 -2.893 1.00 43.21 H new ATOM 544 N ASP A 38 37.490 17.145 -2.278 1.00 21.45 N ATOM 545 CA ASP A 38 38.901 16.843 -2.060 1.00 71.21 C ATOM 546 C ASP A 38 39.134 15.336 -2.024 1.00 42.43 C ATOM 547 O ASP A 38 40.173 14.871 -1.556 1.00 64.32 O ATOM 548 CB ASP A 38 39.385 17.479 -0.757 1.00 40.43 C ATOM 549 CG ASP A 38 39.957 18.868 -0.967 1.00 61.52 C ATOM 550 OD1 ASP A 38 40.561 19.105 -2.034 1.00 35.52 O ATOM 551 OD2 ASP A 38 39.800 19.717 -0.065 1.00 52.21 O1- ATOM 0 H ASP A 38 36.926 17.164 -1.428 1.00 21.45 H new ATOM 0 HA ASP A 38 39.470 17.260 -2.891 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.555 17.534 -0.053 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.145 16.841 -0.305 1.00 40.43 H new ATOM 556 N ASP A 39 38.161 14.579 -2.517 1.00 23.33 N ATOM 557 CA ASP A 39 38.260 13.125 -2.540 1.00 64.41 C ATOM 558 C ASP A 39 38.306 12.561 -1.123 1.00 62.43 C ATOM 559 O ASP A 39 39.075 11.644 -0.832 1.00 42.41 O ATOM 560 CB ASP A 39 39.503 12.690 -3.317 1.00 53.30 C ATOM 561 CG ASP A 39 39.785 13.586 -4.507 1.00 11.54 C ATOM 562 OD1 ASP A 39 38.820 13.986 -5.190 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.972 13.887 -4.753 1.00 73.02 O1- ATOM 0 H ASP A 39 37.294 14.949 -2.907 1.00 23.33 H new ATOM 0 HA ASP A 39 37.374 12.732 -3.039 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.365 12.695 -2.650 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.372 11.664 -3.661 1.00 53.30 H new ATOM 568 N THR A 40 37.479 13.115 -0.243 1.00 24.15 N ATOM 569 CA THR A 40 37.427 12.669 1.144 1.00 43.05 C ATOM 570 C THR A 40 36.014 12.252 1.534 1.00 61.51 C ATOM 571 O THR A 40 35.082 12.357 0.736 1.00 34.22 O ATOM 572 CB THR A 40 37.908 13.771 2.106 1.00 44.50 C ATOM 573 OG1 THR A 40 36.890 14.766 2.261 1.00 41.21 O ATOM 574 CG2 THR A 40 39.184 14.419 1.591 1.00 21.33 C ATOM 0 H THR A 40 36.835 13.874 -0.466 1.00 24.15 H new ATOM 0 HA THR A 40 38.092 11.810 1.225 1.00 43.05 H new ATOM 0 HB THR A 40 38.116 13.313 3.073 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.204 15.462 2.876 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.505 15.194 2.287 1.00 21.33 H new ATOM 0 HG22 THR A 40 39.966 13.664 1.503 1.00 21.33 H new ATOM 0 HG23 THR A 40 38.997 14.864 0.613 1.00 21.33 H new ATOM 582 N TRP A 41 35.861 11.778 2.766 1.00 45.03 N ATOM 583 CA TRP A 41 34.560 11.344 3.262 1.00 2.42 C ATOM 584 C TRP A 41 33.966 12.381 4.209 1.00 70.44 C ATOM 585 O TRP A 41 34.421 12.531 5.342 1.00 32.21 O ATOM 586 CB TRP A 41 34.685 9.997 3.975 1.00 70.13 C ATOM 587 CG TRP A 41 34.934 8.851 3.040 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.782 8.836 1.970 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.324 7.556 3.091 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.738 7.608 1.354 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.852 6.806 2.022 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.387 6.958 3.936 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.471 5.489 1.778 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.010 5.651 3.693 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.551 4.928 2.622 1.00 75.05 C ATOM 0 H TRP A 41 36.622 11.685 3.439 1.00 45.03 H new ATOM 0 HA TRP A 41 33.892 11.233 2.408 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.499 10.051 4.698 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.771 9.806 4.538 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.396 9.666 1.654 1.00 33.11 H new ATOM 0 HE1 TRP A 41 36.278 7.338 0.532 1.00 50.54 H new ATOM 0 HE3 TRP A 41 32.965 7.507 4.765 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.887 4.930 0.952 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.286 5.179 4.340 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.236 3.908 2.459 1.00 75.05 H new ATOM 606 N GLU A 42 32.947 13.093 3.738 1.00 73.10 N ATOM 607 CA GLU A 42 32.293 14.116 4.544 1.00 54.20 C ATOM 608 C GLU A 42 31.025 13.568 5.195 1.00 4.34 C ATOM 609 O GLU A 42 30.351 12.690 4.656 1.00 73.22 O ATOM 610 CB GLU A 42 31.951 15.335 3.685 1.00 31.41 C ATOM 611 CG GLU A 42 33.168 16.144 3.266 1.00 53.13 C ATOM 612 CD GLU A 42 33.565 17.178 4.302 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.704 18.001 4.678 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.735 17.165 4.736 1.00 64.44 O ATOM 0 H GLU A 42 32.557 12.980 2.802 1.00 73.10 H new ATOM 0 HA GLU A 42 32.985 14.418 5.331 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.421 15.003 2.792 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.269 15.980 4.239 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.006 15.469 3.092 1.00 53.13 H new ATOM 0 HG3 GLU A 42 32.959 16.644 2.320 1.00 53.13 H new ATOM 621 N PRO A 43 30.692 14.097 6.381 1.00 54.34 N ATOM 622 CA PRO A 43 29.505 13.677 7.130 1.00 24.43 C ATOM 623 C PRO A 43 28.209 14.119 6.459 1.00 42.40 C ATOM 624 O PRO A 43 27.946 15.314 6.320 1.00 63.02 O ATOM 625 CB PRO A 43 29.673 14.376 8.482 1.00 15.11 C ATOM 626 CG PRO A 43 30.523 15.564 8.191 1.00 23.24 C ATOM 627 CD PRO A 43 31.449 15.148 7.082 1.00 63.44 C ATOM 0 HA PRO A 43 29.431 12.592 7.202 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.709 14.671 8.898 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.147 13.719 9.211 1.00 15.11 H new ATOM 0 HG2 PRO A 43 29.913 16.416 7.891 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.084 15.868 9.075 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.684 15.982 6.421 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.396 14.771 7.469 1.00 63.44 H new ATOM 635 N PHE A 44 27.402 13.148 6.045 1.00 23.33 N ATOM 636 CA PHE A 44 26.132 13.438 5.387 1.00 30.03 C ATOM 637 C PHE A 44 24.965 13.261 6.355 1.00 11.52 C ATOM 638 O PHE A 44 24.010 14.035 6.340 1.00 21.02 O ATOM 639 CB PHE A 44 25.945 12.528 4.171 1.00 54.34 C ATOM 640 CG PHE A 44 24.739 12.873 3.345 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.479 12.428 3.713 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.864 13.644 2.201 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.369 12.743 2.955 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.757 13.963 1.438 1.00 24.11 C ATOM 645 CZ PHE A 44 22.507 13.513 1.816 1.00 75.12 C ATOM 0 H PHE A 44 27.604 12.154 6.153 1.00 23.33 H new ATOM 0 HA PHE A 44 26.151 14.476 5.055 1.00 30.03 H new ATOM 0 HB2 PHE A 44 26.834 12.586 3.543 1.00 54.34 H new ATOM 0 HB3 PHE A 44 25.861 11.495 4.509 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.364 11.828 4.603 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.839 14.000 1.902 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.393 12.388 3.252 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.869 14.563 0.547 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.640 13.762 1.223 1.00 75.12 H new ATOM 655 N ALA A 45 25.052 12.235 7.194 1.00 71.23 N ATOM 656 CA ALA A 45 24.005 11.955 8.170 1.00 64.43 C ATOM 657 C ALA A 45 24.381 10.772 9.054 1.00 24.31 C ATOM 658 O ALA A 45 25.412 10.133 8.847 1.00 5.31 O ATOM 659 CB ALA A 45 22.684 11.692 7.465 1.00 55.21 C ATOM 0 H ALA A 45 25.836 11.583 7.218 1.00 71.23 H new ATOM 0 HA ALA A 45 23.894 12.831 8.809 1.00 64.43 H new ATOM 0 HB1 ALA A 45 21.911 11.484 8.205 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.402 12.569 6.882 1.00 55.21 H new ATOM 0 HB3 ALA A 45 22.790 10.834 6.801 1.00 55.21 H new ATOM 665 N SER A 46 23.537 10.485 10.041 1.00 61.42 N ATOM 666 CA SER A 46 23.783 9.381 10.960 1.00 20.23 C ATOM 667 C SER A 46 22.577 9.147 11.864 1.00 55.20 C ATOM 668 O SER A 46 21.899 10.090 12.270 1.00 65.33 O ATOM 669 CB SER A 46 25.024 9.662 11.809 1.00 30.24 C ATOM 670 OG SER A 46 24.965 8.972 13.046 1.00 45.23 O ATOM 0 H SER A 46 22.677 11.002 10.224 1.00 61.42 H new ATOM 0 HA SER A 46 23.952 8.481 10.369 1.00 20.23 H new ATOM 0 HB2 SER A 46 25.918 9.360 11.263 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.109 10.733 11.991 1.00 30.24 H new ATOM 0 HG SER A 46 25.771 9.168 13.568 1.00 45.23 H new ATOM 676 N GLY A 47 22.315 7.881 12.177 1.00 22.52 N ATOM 677 CA GLY A 47 21.190 7.545 13.030 1.00 13.24 C ATOM 678 C GLY A 47 21.061 6.052 13.257 1.00 23.24 C ATOM 679 O GLY A 47 22.023 5.304 13.082 1.00 53.34 O ATOM 0 H GLY A 47 22.862 7.083 11.855 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.304 8.047 13.991 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.271 7.922 12.580 1.00 13.24 H new ATOM 683 N LYS A 48 19.868 5.616 13.649 1.00 71.53 N ATOM 684 CA LYS A 48 19.614 4.202 13.901 1.00 65.33 C ATOM 685 C LYS A 48 18.373 3.731 13.150 1.00 1.25 C ATOM 686 O LYS A 48 17.324 4.375 13.197 1.00 42.23 O ATOM 687 CB LYS A 48 19.443 3.954 15.401 1.00 75.34 C ATOM 688 CG LYS A 48 20.721 3.515 16.094 1.00 22.40 C ATOM 689 CD LYS A 48 20.493 3.267 17.577 1.00 43.34 C ATOM 690 CE LYS A 48 20.180 4.559 18.315 1.00 30.21 C ATOM 691 NZ LYS A 48 20.971 4.685 19.571 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.061 6.222 13.799 1.00 71.53 H new ATOM 0 HA LYS A 48 20.471 3.633 13.541 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.079 4.867 15.873 1.00 75.34 H new ATOM 0 HB3 LYS A 48 18.678 3.192 15.550 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.096 2.605 15.625 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.487 4.280 15.965 1.00 22.40 H new ATOM 0 HD2 LYS A 48 19.671 2.564 17.707 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.380 2.805 18.010 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.391 5.409 17.666 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.116 4.594 18.550 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.729 5.579 20.045 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.751 3.888 20.201 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 21.986 4.677 19.344 1.00 35.43 H new ATOM 705 N THR A 49 18.497 2.601 12.461 1.00 51.42 N ATOM 706 CA THR A 49 17.386 2.042 11.701 1.00 70.12 C ATOM 707 C THR A 49 16.184 1.777 12.601 1.00 10.11 C ATOM 708 O THR A 49 16.276 1.882 13.824 1.00 53.44 O ATOM 709 CB THR A 49 17.786 0.731 11.000 1.00 52.42 C ATOM 710 OG1 THR A 49 18.000 -0.299 11.972 1.00 74.22 O ATOM 711 CG2 THR A 49 19.049 0.924 10.174 1.00 34.12 C ATOM 0 H THR A 49 19.357 2.054 12.414 1.00 51.42 H new ATOM 0 HA THR A 49 17.117 2.781 10.946 1.00 70.12 H new ATOM 0 HB THR A 49 16.974 0.439 10.334 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.243 -0.921 11.961 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.313 -0.015 9.688 1.00 34.12 H new ATOM 0 HG22 THR A 49 18.875 1.688 9.417 1.00 34.12 H new ATOM 0 HG23 THR A 49 19.865 1.237 10.825 1.00 34.12 H new ATOM 719 N SER A 50 15.055 1.432 11.989 1.00 34.50 N ATOM 720 CA SER A 50 13.835 1.155 12.734 1.00 20.42 C ATOM 721 C SER A 50 13.260 -0.206 12.350 1.00 73.51 C ATOM 722 O SER A 50 13.759 -0.866 11.440 1.00 35.41 O ATOM 723 CB SER A 50 12.796 2.249 12.480 1.00 43.22 C ATOM 724 OG SER A 50 11.730 2.167 13.409 1.00 64.44 O ATOM 0 H SER A 50 14.961 1.338 10.978 1.00 34.50 H new ATOM 0 HA SER A 50 14.084 1.139 13.795 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.270 3.228 12.551 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.407 2.156 11.466 1.00 43.22 H new ATOM 0 HG SER A 50 11.081 2.878 13.226 1.00 64.44 H new ATOM 730 N GLU A 51 12.209 -0.617 13.051 1.00 30.32 N ATOM 731 CA GLU A 51 11.566 -1.899 12.784 1.00 23.23 C ATOM 732 C GLU A 51 10.851 -1.879 11.436 1.00 40.22 C ATOM 733 O GLU A 51 10.382 -2.910 10.956 1.00 52.42 O ATOM 734 CB GLU A 51 10.572 -2.238 13.897 1.00 74.31 C ATOM 735 CG GLU A 51 9.633 -1.095 14.244 1.00 31.32 C ATOM 736 CD GLU A 51 8.174 -1.466 14.072 1.00 73.14 C ATOM 737 OE1 GLU A 51 7.684 -1.437 12.925 1.00 65.12 O1- ATOM 738 OE2 GLU A 51 7.520 -1.787 15.088 1.00 52.03 O ATOM 0 H GLU A 51 11.784 -0.082 13.808 1.00 30.32 H new ATOM 0 HA GLU A 51 12.340 -2.665 12.753 1.00 23.23 H new ATOM 0 HB2 GLU A 51 9.982 -3.103 13.594 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.125 -2.527 14.791 1.00 74.31 H new ATOM 0 HG2 GLU A 51 9.807 -0.788 15.275 1.00 31.32 H new ATOM 0 HG3 GLU A 51 9.863 -0.237 13.613 1.00 31.32 H new ATOM 745 N SER A 52 10.772 -0.698 10.832 1.00 1.54 N ATOM 746 CA SER A 52 10.111 -0.542 9.542 1.00 44.12 C ATOM 747 C SER A 52 11.133 -0.466 8.413 1.00 3.03 C ATOM 748 O SER A 52 10.779 -0.271 7.251 1.00 54.51 O ATOM 749 CB SER A 52 9.240 0.716 9.541 1.00 55.52 C ATOM 750 OG SER A 52 8.664 0.937 8.264 1.00 34.12 O ATOM 0 H SER A 52 11.158 0.165 11.215 1.00 1.54 H new ATOM 0 HA SER A 52 9.479 -1.415 9.378 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.451 0.617 10.287 1.00 55.52 H new ATOM 0 HB3 SER A 52 9.842 1.579 9.826 1.00 55.52 H new ATOM 0 HG SER A 52 9.186 0.464 7.583 1.00 34.12 H new ATOM 756 N GLY A 53 12.406 -0.622 8.764 1.00 14.45 N ATOM 757 CA GLY A 53 13.462 -0.569 7.770 1.00 40.03 C ATOM 758 C GLY A 53 13.702 0.836 7.255 1.00 14.23 C ATOM 759 O GLY A 53 14.239 1.020 6.162 1.00 21.34 O ATOM 0 H GLY A 53 12.725 -0.784 9.719 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.384 -0.957 8.203 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.204 -1.220 6.935 1.00 40.03 H new ATOM 763 N GLU A 54 13.304 1.830 8.042 1.00 31.13 N ATOM 764 CA GLU A 54 13.477 3.226 7.657 1.00 52.11 C ATOM 765 C GLU A 54 14.113 4.028 8.789 1.00 0.31 C ATOM 766 O GLU A 54 13.651 3.987 9.930 1.00 51.32 O ATOM 767 CB GLU A 54 12.130 3.843 7.273 1.00 40.52 C ATOM 768 CG GLU A 54 11.034 3.594 8.295 1.00 10.03 C ATOM 769 CD GLU A 54 9.952 4.657 8.262 1.00 73.01 C ATOM 770 OE1 GLU A 54 10.255 5.823 8.587 1.00 31.31 O ATOM 771 OE2 GLU A 54 8.802 4.320 7.908 1.00 75.13 O1- ATOM 0 H GLU A 54 12.860 1.695 8.950 1.00 31.13 H new ATOM 0 HA GLU A 54 14.142 3.259 6.794 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.256 4.918 7.142 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.816 3.439 6.310 1.00 40.52 H new ATOM 0 HG2 GLU A 54 10.585 2.618 8.110 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.473 3.559 9.292 1.00 10.03 H new ATOM 778 N LEU A 55 15.175 4.756 8.465 1.00 5.54 N ATOM 779 CA LEU A 55 15.877 5.567 9.454 1.00 34.15 C ATOM 780 C LEU A 55 15.268 6.964 9.542 1.00 70.31 C ATOM 781 O LEU A 55 14.538 7.393 8.648 1.00 34.41 O ATOM 782 CB LEU A 55 17.361 5.668 9.100 1.00 4.21 C ATOM 783 CG LEU A 55 18.333 5.675 10.280 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.619 4.948 9.917 1.00 50.42 C ATOM 785 CD2 LEU A 55 18.631 7.103 10.717 1.00 14.12 C ATOM 0 H LEU A 55 15.569 4.802 7.525 1.00 5.54 H new ATOM 0 HA LEU A 55 15.774 5.082 10.425 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.617 4.832 8.449 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.515 6.580 8.523 1.00 4.21 H new ATOM 0 HG LEU A 55 17.866 5.150 11.114 1.00 2.23 H new ATOM 0 HD11 LEU A 55 20.299 4.963 10.769 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.391 3.915 9.653 1.00 50.42 H new ATOM 0 HD13 LEU A 55 20.090 5.444 9.068 1.00 50.42 H new ATOM 0 HD21 LEU A 55 19.324 7.089 11.558 1.00 14.12 H new ATOM 0 HD22 LEU A 55 19.077 7.652 9.888 1.00 14.12 H new ATOM 0 HD23 LEU A 55 17.705 7.592 11.019 1.00 14.12 H new ATOM 797 N HIS A 56 15.576 7.670 10.626 1.00 5.15 N ATOM 798 CA HIS A 56 15.061 9.020 10.830 1.00 13.42 C ATOM 799 C HIS A 56 15.475 9.938 9.684 1.00 51.22 C ATOM 800 O HIS A 56 16.057 9.491 8.697 1.00 34.12 O ATOM 801 CB HIS A 56 15.563 9.584 12.159 1.00 32.12 C ATOM 802 CG HIS A 56 14.472 10.121 13.033 1.00 53.30 C ATOM 803 ND1 HIS A 56 13.353 9.391 13.375 1.00 23.11 N ATOM 804 CD2 HIS A 56 14.332 11.325 13.636 1.00 72.43 C ATOM 805 CE1 HIS A 56 12.572 10.123 14.149 1.00 1.32 C ATOM 806 NE2 HIS A 56 13.145 11.301 14.323 1.00 3.25 N ATOM 0 H HIS A 56 16.179 7.330 11.376 1.00 5.15 H new ATOM 0 HA HIS A 56 13.973 8.968 10.855 1.00 13.42 H new ATOM 0 HB2 HIS A 56 16.097 8.801 12.698 1.00 32.12 H new ATOM 0 HB3 HIS A 56 16.281 10.379 11.959 1.00 32.12 H new ATOM 0 HD2 HIS A 56 15.026 12.151 13.586 1.00 72.43 H new ATOM 0 HE1 HIS A 56 11.627 9.812 14.568 1.00 1.32 H new ATOM 0 HE2 HIS A 56 12.766 12.068 14.878 1.00 3.25 H new ATOM 814 N GLY A 57 15.170 11.224 9.823 1.00 61.41 N ATOM 815 CA GLY A 57 15.517 12.185 8.793 1.00 74.22 C ATOM 816 C GLY A 57 17.016 12.338 8.624 1.00 32.15 C ATOM 817 O GLY A 57 17.642 13.162 9.293 1.00 74.24 O ATOM 0 H GLY A 57 14.688 11.618 10.631 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.078 11.872 7.846 1.00 74.22 H new ATOM 0 HA3 GLY A 57 15.082 13.153 9.042 1.00 74.22 H new ATOM 821 N LEU A 58 17.594 11.544 7.731 1.00 71.24 N ATOM 822 CA LEU A 58 19.029 11.594 7.477 1.00 13.14 C ATOM 823 C LEU A 58 19.342 12.499 6.290 1.00 72.13 C ATOM 824 O LEU A 58 20.435 13.059 6.191 1.00 54.40 O ATOM 825 CB LEU A 58 19.570 10.187 7.216 1.00 52.25 C ATOM 826 CG LEU A 58 19.658 9.265 8.433 1.00 45.12 C ATOM 827 CD1 LEU A 58 20.156 7.887 8.024 1.00 71.41 C ATOM 828 CD2 LEU A 58 20.565 9.869 9.495 1.00 33.14 C ATOM 0 H LEU A 58 17.091 10.857 7.170 1.00 71.24 H new ATOM 0 HA LEU A 58 19.515 12.006 8.362 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.937 9.709 6.468 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.565 10.277 6.781 1.00 52.25 H new ATOM 0 HG LEU A 58 18.659 9.157 8.856 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.212 7.245 8.903 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.468 7.452 7.300 1.00 71.41 H new ATOM 0 HD13 LEU A 58 21.146 7.976 7.576 1.00 71.41 H new ATOM 0 HD21 LEU A 58 20.616 9.199 10.354 1.00 33.14 H new ATOM 0 HD22 LEU A 58 21.565 10.008 9.083 1.00 33.14 H new ATOM 0 HD23 LEU A 58 20.165 10.833 9.810 1.00 33.14 H new ATOM 840 N THR A 59 18.373 12.642 5.391 1.00 63.43 N ATOM 841 CA THR A 59 18.545 13.480 4.210 1.00 22.11 C ATOM 842 C THR A 59 18.863 14.920 4.599 1.00 64.24 C ATOM 843 O THR A 59 18.495 15.378 5.682 1.00 72.41 O ATOM 844 CB THR A 59 17.284 13.468 3.325 1.00 73.42 C ATOM 845 OG1 THR A 59 16.240 14.226 3.947 1.00 35.32 O ATOM 846 CG2 THR A 59 16.808 12.044 3.083 1.00 74.22 C ATOM 0 H THR A 59 17.462 12.189 5.458 1.00 63.43 H new ATOM 0 HA THR A 59 19.381 13.065 3.647 1.00 22.11 H new ATOM 0 HB THR A 59 17.536 13.919 2.365 1.00 73.42 H new ATOM 0 HG1 THR A 59 15.443 14.214 3.377 1.00 35.32 H new ATOM 0 HG21 THR A 59 15.917 12.060 2.456 1.00 74.22 H new ATOM 0 HG22 THR A 59 17.594 11.478 2.583 1.00 74.22 H new ATOM 0 HG23 THR A 59 16.572 11.572 4.037 1.00 74.22 H new ATOM 854 N THR A 60 19.550 15.630 3.710 1.00 12.24 N ATOM 855 CA THR A 60 19.919 17.017 3.962 1.00 43.44 C ATOM 856 C THR A 60 20.055 17.795 2.657 1.00 34.10 C ATOM 857 O THR A 60 19.819 17.256 1.576 1.00 22.23 O ATOM 858 CB THR A 60 21.243 17.114 4.743 1.00 21.12 C ATOM 859 OG1 THR A 60 22.255 16.338 4.092 1.00 74.34 O ATOM 860 CG2 THR A 60 21.064 16.627 6.173 1.00 41.12 C ATOM 0 H THR A 60 19.862 15.267 2.809 1.00 12.24 H new ATOM 0 HA THR A 60 19.119 17.452 4.561 1.00 43.44 H new ATOM 0 HB THR A 60 21.549 18.160 4.768 1.00 21.12 H new ATOM 0 HG1 THR A 60 23.094 16.407 4.594 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.012 16.705 6.705 1.00 41.12 H new ATOM 0 HG22 THR A 60 20.315 17.239 6.675 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.737 15.587 6.165 1.00 41.12 H new ATOM 868 N GLU A 61 20.436 19.064 2.767 1.00 14.50 N ATOM 869 CA GLU A 61 20.602 19.914 1.595 1.00 24.54 C ATOM 870 C GLU A 61 21.670 19.352 0.661 1.00 54.52 C ATOM 871 O GLU A 61 21.726 19.704 -0.517 1.00 63.11 O ATOM 872 CB GLU A 61 20.978 21.336 2.018 1.00 35.23 C ATOM 873 CG GLU A 61 22.198 21.400 2.921 1.00 25.21 C ATOM 874 CD GLU A 61 22.544 22.817 3.335 1.00 70.35 C ATOM 875 OE1 GLU A 61 21.835 23.751 2.904 1.00 33.30 O ATOM 876 OE2 GLU A 61 23.523 22.993 4.090 1.00 13.54 O1- ATOM 0 H GLU A 61 20.635 19.525 3.655 1.00 14.50 H new ATOM 0 HA GLU A 61 19.653 19.940 1.060 1.00 24.54 H new ATOM 0 HB2 GLU A 61 21.165 21.934 1.126 1.00 35.23 H new ATOM 0 HB3 GLU A 61 20.131 21.789 2.533 1.00 35.23 H new ATOM 0 HG2 GLU A 61 22.018 20.799 3.812 1.00 25.21 H new ATOM 0 HG3 GLU A 61 23.050 20.958 2.405 1.00 25.21 H new ATOM 883 N GLU A 62 22.513 18.475 1.195 1.00 72.32 N ATOM 884 CA GLU A 62 23.579 17.865 0.410 1.00 31.42 C ATOM 885 C GLU A 62 23.043 16.710 -0.430 1.00 1.45 C ATOM 886 O GLU A 62 23.785 16.078 -1.181 1.00 71.41 O ATOM 887 CB GLU A 62 24.697 17.365 1.328 1.00 1.21 C ATOM 888 CG GLU A 62 25.642 18.462 1.788 1.00 10.03 C ATOM 889 CD GLU A 62 26.228 19.252 0.633 1.00 2.43 C ATOM 890 OE1 GLU A 62 27.219 18.783 0.036 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 25.692 20.338 0.327 1.00 75.13 O ATOM 0 H GLU A 62 22.479 18.171 2.168 1.00 72.32 H new ATOM 0 HA GLU A 62 23.981 18.624 -0.261 1.00 31.42 H new ATOM 0 HB2 GLU A 62 24.253 16.890 2.202 1.00 1.21 H new ATOM 0 HB3 GLU A 62 25.270 16.599 0.805 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.108 19.141 2.453 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.452 18.019 2.368 1.00 10.03 H new ATOM 898 N GLU A 63 21.747 16.440 -0.297 1.00 1.55 N ATOM 899 CA GLU A 63 21.112 15.361 -1.044 1.00 2.15 C ATOM 900 C GLU A 63 21.103 15.665 -2.539 1.00 33.05 C ATOM 901 O GLU A 63 21.051 14.756 -3.368 1.00 33.04 O ATOM 902 CB GLU A 63 19.680 15.142 -0.548 1.00 4.33 C ATOM 903 CG GLU A 63 18.717 16.239 -0.969 1.00 54.34 C ATOM 904 CD GLU A 63 18.062 15.958 -2.308 1.00 22.40 C ATOM 905 OE1 GLU A 63 17.199 15.055 -2.367 1.00 61.14 O ATOM 906 OE2 GLU A 63 18.409 16.638 -3.295 1.00 12.13 O1- ATOM 0 H GLU A 63 21.118 16.953 0.320 1.00 1.55 H new ATOM 0 HA GLU A 63 21.690 14.451 -0.880 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.316 14.186 -0.925 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.687 15.074 0.540 1.00 4.33 H new ATOM 0 HG2 GLU A 63 17.945 16.352 -0.208 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.253 17.187 -1.023 1.00 54.34 H new ATOM 913 N PHE A 64 21.155 16.950 -2.876 1.00 14.24 N ATOM 914 CA PHE A 64 21.151 17.374 -4.271 1.00 42.31 C ATOM 915 C PHE A 64 22.561 17.337 -4.855 1.00 11.50 C ATOM 916 O PHE A 64 23.076 18.349 -5.328 1.00 32.43 O ATOM 917 CB PHE A 64 20.573 18.787 -4.395 1.00 12.40 C ATOM 918 CG PHE A 64 20.130 19.132 -5.788 1.00 41.53 C ATOM 919 CD1 PHE A 64 19.240 18.317 -6.468 1.00 45.43 C ATOM 920 CD2 PHE A 64 20.601 20.273 -6.416 1.00 43.22 C ATOM 921 CE1 PHE A 64 18.831 18.633 -7.750 1.00 42.01 C ATOM 922 CE2 PHE A 64 20.195 20.595 -7.697 1.00 2.15 C ATOM 923 CZ PHE A 64 19.307 19.774 -8.365 1.00 13.33 C ATOM 0 H PHE A 64 21.200 17.715 -2.203 1.00 14.24 H new ATOM 0 HA PHE A 64 20.525 16.681 -4.833 1.00 42.31 H new ATOM 0 HB2 PHE A 64 19.725 18.885 -3.718 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.324 19.508 -4.072 1.00 12.40 H new ATOM 0 HD1 PHE A 64 18.861 17.425 -5.991 1.00 45.43 H new ATOM 0 HD2 PHE A 64 21.294 20.919 -5.898 1.00 43.22 H new ATOM 0 HE1 PHE A 64 18.139 17.987 -8.271 1.00 42.01 H new ATOM 0 HE2 PHE A 64 20.571 21.487 -8.175 1.00 2.15 H new ATOM 0 HZ PHE A 64 18.986 20.024 -9.365 1.00 13.33 H new ATOM 933 N VAL A 65 23.179 16.160 -4.817 1.00 14.35 N ATOM 934 CA VAL A 65 24.528 15.988 -5.343 1.00 53.13 C ATOM 935 C VAL A 65 24.561 14.923 -6.432 1.00 62.20 C ATOM 936 O VAL A 65 23.528 14.370 -6.805 1.00 61.02 O ATOM 937 CB VAL A 65 25.518 15.599 -4.228 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.697 16.747 -3.247 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.046 14.343 -3.511 1.00 75.10 C ATOM 0 H VAL A 65 22.767 15.312 -4.428 1.00 14.35 H new ATOM 0 HA VAL A 65 24.828 16.946 -5.768 1.00 53.13 H new ATOM 0 HB VAL A 65 26.486 15.388 -4.683 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.400 16.453 -2.467 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.084 17.619 -3.774 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.736 16.993 -2.796 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.757 14.083 -2.727 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.067 14.523 -3.068 1.00 75.10 H new ATOM 0 HG23 VAL A 65 24.976 13.522 -4.224 1.00 75.10 H new ATOM 949 N GLU A 66 25.758 14.640 -6.940 1.00 2.51 N ATOM 950 CA GLU A 66 25.926 13.641 -7.988 1.00 74.43 C ATOM 951 C GLU A 66 25.228 12.336 -7.613 1.00 23.21 C ATOM 952 O GLU A 66 24.581 11.705 -8.446 1.00 2.04 O ATOM 953 CB GLU A 66 27.412 13.383 -8.243 1.00 20.43 C ATOM 954 CG GLU A 66 28.213 14.646 -8.509 1.00 34.14 C ATOM 955 CD GLU A 66 29.623 14.354 -8.985 1.00 41.54 C ATOM 956 OE1 GLU A 66 29.807 14.146 -10.202 1.00 10.42 O1- ATOM 957 OE2 GLU A 66 30.542 14.335 -8.140 1.00 71.33 O ATOM 0 H GLU A 66 26.624 15.089 -6.642 1.00 2.51 H new ATOM 0 HA GLU A 66 25.470 14.027 -8.900 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.836 12.869 -7.380 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.514 12.712 -9.096 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.698 15.247 -9.258 1.00 34.14 H new ATOM 0 HG3 GLU A 66 28.257 15.242 -7.598 1.00 34.14 H new ATOM 964 N GLY A 67 25.367 11.940 -6.351 1.00 71.33 N ATOM 965 CA GLY A 67 24.747 10.713 -5.887 1.00 61.34 C ATOM 966 C GLY A 67 25.696 9.853 -5.076 1.00 70.12 C ATOM 967 O GLY A 67 25.326 8.773 -4.617 1.00 52.23 O ATOM 0 H GLY A 67 25.898 12.447 -5.643 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.875 10.957 -5.280 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.389 10.144 -6.745 1.00 61.34 H new ATOM 971 N ILE A 68 26.923 10.334 -4.900 1.00 31.34 N ATOM 972 CA ILE A 68 27.926 9.601 -4.139 1.00 24.21 C ATOM 973 C ILE A 68 27.616 9.630 -2.647 1.00 41.21 C ATOM 974 O ILE A 68 27.691 10.680 -2.007 1.00 52.24 O ATOM 975 CB ILE A 68 29.337 10.176 -4.371 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.602 10.350 -5.867 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.387 9.270 -3.744 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.891 11.080 -6.171 1.00 24.51 C ATOM 0 H ILE A 68 27.245 11.227 -5.274 1.00 31.34 H new ATOM 0 HA ILE A 68 27.899 8.570 -4.491 1.00 24.21 H new ATOM 0 HB ILE A 68 29.397 11.155 -3.895 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.630 9.368 -6.339 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.771 10.895 -6.314 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.379 9.689 -3.916 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.207 9.192 -2.672 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.329 8.279 -4.195 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.014 11.167 -7.251 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.859 12.075 -5.728 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.731 10.524 -5.754 1.00 24.51 H new ATOM 990 N TYR A 69 27.268 8.473 -2.098 1.00 43.21 N ATOM 991 CA TYR A 69 26.945 8.366 -0.680 1.00 1.03 C ATOM 992 C TYR A 69 27.537 7.094 -0.081 1.00 42.24 C ATOM 993 O TYR A 69 27.343 5.997 -0.607 1.00 25.42 O ATOM 994 CB TYR A 69 25.428 8.379 -0.479 1.00 41.35 C ATOM 995 CG TYR A 69 24.728 9.487 -1.231 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.005 10.822 -0.959 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.789 9.200 -2.214 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.366 11.837 -1.644 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.147 10.210 -2.905 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.438 11.527 -2.616 1.00 22.23 C ATOM 1001 OH TYR A 69 22.801 12.535 -3.301 1.00 34.52 O ATOM 0 H TYR A 69 27.202 7.595 -2.613 1.00 43.21 H new ATOM 0 HA TYR A 69 27.381 9.224 -0.168 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.019 7.420 -0.798 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.212 8.480 0.585 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.732 11.069 -0.200 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.557 8.170 -2.442 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.592 12.869 -1.419 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.421 9.969 -3.668 1.00 73.53 H new ATOM 0 HH TYR A 69 22.267 13.069 -2.676 1.00 34.52 H new ATOM 1011 N LYS A 70 28.259 7.248 1.023 1.00 53.02 N ATOM 1012 CA LYS A 70 28.880 6.114 1.697 1.00 22.35 C ATOM 1013 C LYS A 70 28.201 5.839 3.035 1.00 44.40 C ATOM 1014 O LYS A 70 28.415 6.558 4.011 1.00 32.24 O ATOM 1015 CB LYS A 70 30.371 6.376 1.914 1.00 11.12 C ATOM 1016 CG LYS A 70 31.104 6.801 0.653 1.00 64.32 C ATOM 1017 CD LYS A 70 31.353 8.299 0.629 1.00 64.11 C ATOM 1018 CE LYS A 70 32.070 8.724 -0.643 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.487 8.267 -0.662 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.429 8.149 1.471 1.00 53.02 H new ATOM 0 HA LYS A 70 28.761 5.236 1.061 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.489 7.151 2.671 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.837 5.472 2.308 1.00 11.12 H new ATOM 0 HG2 LYS A 70 32.055 6.272 0.589 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.520 6.515 -0.222 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.403 8.828 0.707 1.00 64.11 H new ATOM 0 HD3 LYS A 70 31.949 8.584 1.496 1.00 64.11 H new ATOM 0 HE2 LYS A 70 31.546 8.317 -1.508 1.00 50.51 H new ATOM 0 HE3 LYS A 70 32.038 9.810 -0.732 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 34.100 9.050 -0.965 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.765 7.958 0.291 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.587 7.473 -1.326 1.00 34.32 H new ATOM 1033 N VAL A 71 27.383 4.792 3.075 1.00 65.12 N ATOM 1034 CA VAL A 71 26.675 4.420 4.294 1.00 43.30 C ATOM 1035 C VAL A 71 27.373 3.266 5.004 1.00 4.12 C ATOM 1036 O VAL A 71 27.684 2.245 4.392 1.00 32.12 O ATOM 1037 CB VAL A 71 25.217 4.020 3.997 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.508 3.601 5.276 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.479 5.163 3.318 1.00 13.51 C ATOM 0 H VAL A 71 27.194 4.186 2.277 1.00 65.12 H new ATOM 0 HA VAL A 71 26.678 5.296 4.942 1.00 43.30 H new ATOM 0 HB VAL A 71 25.223 3.168 3.317 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.479 3.322 5.047 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.026 2.749 5.717 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.510 4.431 5.982 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.451 4.863 3.116 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.480 6.036 3.971 1.00 13.51 H new ATOM 0 HG23 VAL A 71 24.976 5.411 2.380 1.00 13.51 H new ATOM 1049 N GLU A 72 27.615 3.436 6.301 1.00 21.11 N ATOM 1050 CA GLU A 72 28.276 2.407 7.094 1.00 23.21 C ATOM 1051 C GLU A 72 27.371 1.925 8.225 1.00 64.10 C ATOM 1052 O GLU A 72 26.694 2.723 8.875 1.00 4.11 O ATOM 1053 CB GLU A 72 29.589 2.942 7.671 1.00 23.23 C ATOM 1054 CG GLU A 72 29.423 3.662 8.998 1.00 11.22 C ATOM 1055 CD GLU A 72 30.542 4.646 9.273 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.069 5.232 8.305 1.00 13.44 O ATOM 1057 OE2 GLU A 72 30.892 4.831 10.458 1.00 15.25 O1- ATOM 0 H GLU A 72 27.363 4.275 6.823 1.00 21.11 H new ATOM 0 HA GLU A 72 28.491 1.563 6.439 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.283 2.112 7.802 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.041 3.625 6.951 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.470 4.191 9.003 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.384 2.928 9.803 1.00 11.22 H new ATOM 1064 N ILE A 73 27.364 0.616 8.452 1.00 64.22 N ATOM 1065 CA ILE A 73 26.543 0.028 9.503 1.00 54.32 C ATOM 1066 C ILE A 73 27.409 -0.603 10.589 1.00 14.42 C ATOM 1067 O ILE A 73 28.375 -1.307 10.296 1.00 11.03 O ATOM 1068 CB ILE A 73 25.587 -1.040 8.940 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.818 -0.484 7.739 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.625 -1.512 10.020 1.00 24.31 C ATOM 1071 CD1 ILE A 73 25.090 -1.228 6.451 1.00 1.34 C ATOM 0 H ILE A 73 27.917 -0.057 7.922 1.00 64.22 H new ATOM 0 HA ILE A 73 25.956 0.838 9.935 1.00 54.32 H new ATOM 0 HB ILE A 73 26.176 -1.895 8.607 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.750 -0.522 7.953 1.00 2.33 H new ATOM 0 HG13 ILE A 73 25.079 0.566 7.605 1.00 2.33 H new ATOM 0 HG21 ILE A 73 23.956 -2.267 9.607 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.189 -1.942 10.848 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.040 -0.666 10.381 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.512 -0.780 5.643 1.00 1.34 H new ATOM 0 HD12 ILE A 73 26.152 -1.168 6.214 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.802 -2.273 6.567 1.00 1.34 H new ATOM 1083 N ASP A 74 27.054 -0.346 11.843 1.00 44.44 N ATOM 1084 CA ASP A 74 27.796 -0.891 12.974 1.00 10.11 C ATOM 1085 C ASP A 74 27.036 -2.046 13.618 1.00 13.42 C ATOM 1086 O ASP A 74 26.320 -1.859 14.603 1.00 64.24 O ATOM 1087 CB ASP A 74 28.065 0.201 14.010 1.00 20.22 C ATOM 1088 CG ASP A 74 29.464 0.122 14.587 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.424 -0.014 13.799 1.00 11.04 O ATOM 1090 OD2 ASP A 74 29.601 0.196 15.826 1.00 62.12 O1- ATOM 0 H ASP A 74 26.257 0.236 12.102 1.00 44.44 H new ATOM 0 HA ASP A 74 28.748 -1.270 12.603 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.920 1.178 13.549 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.337 0.118 14.817 1.00 20.22 H new ATOM 1095 N THR A 75 27.194 -3.240 13.056 1.00 2.21 N ATOM 1096 CA THR A 75 26.520 -4.424 13.574 1.00 43.11 C ATOM 1097 C THR A 75 27.496 -5.336 14.309 1.00 52.03 C ATOM 1098 O THR A 75 27.222 -6.517 14.517 1.00 42.55 O ATOM 1099 CB THR A 75 25.841 -5.223 12.446 1.00 63.11 C ATOM 1100 OG1 THR A 75 26.808 -6.028 11.765 1.00 13.12 O ATOM 1101 CG2 THR A 75 25.163 -4.288 11.454 1.00 71.34 C ATOM 0 H THR A 75 27.783 -3.413 12.242 1.00 2.21 H new ATOM 0 HA THR A 75 25.759 -4.073 14.271 1.00 43.11 H new ATOM 0 HB THR A 75 25.083 -5.867 12.892 1.00 63.11 H new ATOM 0 HG1 THR A 75 26.406 -6.889 11.526 1.00 13.12 H new ATOM 0 HG21 THR A 75 24.690 -4.874 10.666 1.00 71.34 H new ATOM 0 HG22 THR A 75 24.407 -3.697 11.970 1.00 71.34 H new ATOM 0 HG23 THR A 75 25.906 -3.623 11.015 1.00 71.34 H new ATOM 1109 N LYS A 76 28.638 -4.779 14.700 1.00 11.51 N ATOM 1110 CA LYS A 76 29.656 -5.540 15.415 1.00 2.32 C ATOM 1111 C LYS A 76 29.376 -5.550 16.914 1.00 63.31 C ATOM 1112 O LYS A 76 29.481 -6.588 17.568 1.00 10.13 O ATOM 1113 CB LYS A 76 31.043 -4.952 15.148 1.00 70.33 C ATOM 1114 CG LYS A 76 31.164 -3.486 15.525 1.00 30.31 C ATOM 1115 CD LYS A 76 31.801 -3.313 16.894 1.00 0.13 C ATOM 1116 CE LYS A 76 33.315 -3.203 16.795 1.00 10.32 C ATOM 1117 NZ LYS A 76 33.740 -1.875 16.271 1.00 64.52 N1+ ATOM 0 H LYS A 76 28.882 -3.803 14.533 1.00 11.51 H new ATOM 0 HA LYS A 76 29.628 -6.567 15.052 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.785 -5.524 15.705 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.280 -5.067 14.090 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.761 -2.965 14.776 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.176 -3.026 15.522 1.00 30.31 H new ATOM 0 HD2 LYS A 76 31.401 -2.419 17.372 1.00 0.13 H new ATOM 0 HD3 LYS A 76 31.537 -4.159 17.529 1.00 0.13 H new ATOM 0 HE2 LYS A 76 33.756 -3.364 17.779 1.00 10.32 H new ATOM 0 HE3 LYS A 76 33.695 -3.990 16.143 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 34.758 -1.746 16.437 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 33.547 -1.827 15.250 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 33.212 -1.124 16.759 1.00 64.52 H new ATOM 1131 N SER A 77 29.019 -4.389 17.452 1.00 12.32 N ATOM 1132 CA SER A 77 28.726 -4.264 18.875 1.00 40.54 C ATOM 1133 C SER A 77 27.246 -4.514 19.149 1.00 72.24 C ATOM 1134 O SER A 77 26.890 -5.316 20.013 1.00 3.31 O ATOM 1135 CB SER A 77 29.121 -2.875 19.379 1.00 24.54 C ATOM 1136 OG SER A 77 29.066 -1.919 18.334 1.00 62.42 O ATOM 0 H SER A 77 28.926 -3.521 16.924 1.00 12.32 H new ATOM 0 HA SER A 77 29.309 -5.015 19.408 1.00 40.54 H new ATOM 0 HB2 SER A 77 28.454 -2.574 20.187 1.00 24.54 H new ATOM 0 HB3 SER A 77 30.129 -2.908 19.793 1.00 24.54 H new ATOM 0 HG SER A 77 29.321 -1.039 18.682 1.00 62.42 H new ATOM 1142 N TYR A 78 26.388 -3.823 18.407 1.00 33.14 N ATOM 1143 CA TYR A 78 24.947 -3.967 18.571 1.00 43.04 C ATOM 1144 C TYR A 78 24.537 -5.436 18.521 1.00 22.45 C ATOM 1145 O TYR A 78 23.519 -5.827 19.091 1.00 1.02 O ATOM 1146 CB TYR A 78 24.208 -3.183 17.486 1.00 4.32 C ATOM 1147 CG TYR A 78 24.042 -1.715 17.806 1.00 61.13 C ATOM 1148 CD1 TYR A 78 22.989 -1.270 18.596 1.00 52.42 C ATOM 1149 CD2 TYR A 78 24.937 -0.771 17.318 1.00 50.52 C ATOM 1150 CE1 TYR A 78 22.833 0.070 18.891 1.00 61.52 C ATOM 1151 CE2 TYR A 78 24.791 0.571 17.609 1.00 70.55 C ATOM 1152 CZ TYR A 78 23.736 0.987 18.395 1.00 70.05 C ATOM 1153 OH TYR A 78 23.585 2.323 18.687 1.00 34.34 O ATOM 0 H TYR A 78 26.666 -3.157 17.686 1.00 33.14 H new ATOM 0 HA TYR A 78 24.677 -3.566 19.548 1.00 43.04 H new ATOM 0 HB2 TYR A 78 24.750 -3.282 16.545 1.00 4.32 H new ATOM 0 HB3 TYR A 78 23.224 -3.627 17.335 1.00 4.32 H new ATOM 0 HD1 TYR A 78 22.280 -1.985 18.986 1.00 52.42 H new ATOM 0 HD2 TYR A 78 25.762 -1.093 16.700 1.00 50.52 H new ATOM 0 HE1 TYR A 78 22.009 0.398 19.507 1.00 61.52 H new ATOM 0 HE2 TYR A 78 25.498 1.291 17.224 1.00 70.55 H new ATOM 0 HH TYR A 78 24.305 2.834 18.262 1.00 34.34 H new ATOM 1163 N TRP A 79 25.338 -6.243 17.835 1.00 42.11 N ATOM 1164 CA TRP A 79 25.060 -7.670 17.709 1.00 34.33 C ATOM 1165 C TRP A 79 25.255 -8.381 19.044 1.00 45.25 C ATOM 1166 O TRP A 79 24.501 -9.291 19.390 1.00 50.44 O ATOM 1167 CB TRP A 79 25.964 -8.295 16.647 1.00 11.24 C ATOM 1168 CG TRP A 79 25.250 -8.604 15.366 1.00 33.12 C ATOM 1169 CD1 TRP A 79 25.486 -9.659 14.530 1.00 13.21 C ATOM 1170 CD2 TRP A 79 24.186 -7.851 14.775 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.632 -9.606 13.455 1.00 13.32 N ATOM 1172 CE2 TRP A 79 23.824 -8.508 13.582 1.00 40.35 C ATOM 1173 CE3 TRP A 79 23.502 -6.687 15.138 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 22.810 -8.037 12.752 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 22.496 -6.221 14.313 1.00 22.15 C ATOM 1176 CH2 TRP A 79 22.157 -6.895 13.132 1.00 55.42 C ATOM 0 H TRP A 79 26.185 -5.934 17.358 1.00 42.11 H new ATOM 0 HA TRP A 79 24.020 -7.787 17.404 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.791 -7.616 16.439 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.397 -9.213 17.044 1.00 11.24 H new ATOM 0 HD1 TRP A 79 26.233 -10.422 14.691 1.00 13.21 H new ATOM 0 HE1 TRP A 79 24.604 -10.276 12.687 1.00 13.32 H new ATOM 0 HE3 TRP A 79 23.755 -6.161 16.047 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 22.548 -8.554 11.841 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 21.962 -5.322 14.583 1.00 22.15 H new ATOM 0 HH2 TRP A 79 21.365 -6.506 12.509 1.00 55.42 H new ATOM 1187 N LYS A 80 26.271 -7.961 19.790 1.00 50.41 N ATOM 1188 CA LYS A 80 26.565 -8.557 21.088 1.00 54.32 C ATOM 1189 C LYS A 80 25.456 -8.252 22.091 1.00 54.00 C ATOM 1190 O LYS A 80 25.346 -8.908 23.126 1.00 50.04 O ATOM 1191 CB LYS A 80 27.903 -8.039 21.619 1.00 61.21 C ATOM 1192 CG LYS A 80 27.801 -6.695 22.319 1.00 73.40 C ATOM 1193 CD LYS A 80 27.923 -6.841 23.827 1.00 71.12 C ATOM 1194 CE LYS A 80 29.345 -7.191 24.239 1.00 24.41 C ATOM 1195 NZ LYS A 80 29.675 -6.667 25.593 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.905 -7.210 19.518 1.00 50.41 H new ATOM 0 HA LYS A 80 26.626 -9.637 20.958 1.00 54.32 H new ATOM 0 HB2 LYS A 80 28.316 -8.770 22.314 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.605 -7.955 20.790 1.00 61.21 H new ATOM 0 HG2 LYS A 80 28.585 -6.032 21.952 1.00 73.40 H new ATOM 0 HG3 LYS A 80 26.847 -6.227 22.074 1.00 73.40 H new ATOM 0 HD2 LYS A 80 27.622 -5.911 24.309 1.00 71.12 H new ATOM 0 HD3 LYS A 80 27.241 -7.616 24.175 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.470 -8.274 24.228 1.00 24.41 H new ATOM 0 HE3 LYS A 80 30.045 -6.782 23.511 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 30.652 -6.926 25.837 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 29.580 -5.631 25.597 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 29.023 -7.077 26.292 1.00 51.34 H new ATOM 1209 N ALA A 81 24.636 -7.255 21.774 1.00 25.51 N ATOM 1210 CA ALA A 81 23.534 -6.866 22.645 1.00 23.43 C ATOM 1211 C ALA A 81 22.371 -7.844 22.527 1.00 74.11 C ATOM 1212 O ALA A 81 21.759 -8.221 23.528 1.00 11.21 O ATOM 1213 CB ALA A 81 23.075 -5.453 22.317 1.00 4.11 C ATOM 0 H ALA A 81 24.714 -6.702 20.920 1.00 25.51 H new ATOM 0 HA ALA A 81 23.891 -6.889 23.675 1.00 23.43 H new ATOM 0 HB1 ALA A 81 22.252 -5.176 22.975 1.00 4.11 H new ATOM 0 HB2 ALA A 81 23.903 -4.759 22.460 1.00 4.11 H new ATOM 0 HB3 ALA A 81 22.741 -5.410 21.280 1.00 4.11 H new ATOM 1219 N LEU A 82 22.068 -8.251 21.300 1.00 72.45 N ATOM 1220 CA LEU A 82 20.976 -9.185 21.050 1.00 71.44 C ATOM 1221 C LEU A 82 21.481 -10.624 21.039 1.00 25.04 C ATOM 1222 O LEU A 82 20.786 -11.533 20.588 1.00 54.03 O ATOM 1223 CB LEU A 82 20.295 -8.861 19.720 1.00 34.13 C ATOM 1224 CG LEU A 82 19.659 -7.475 19.611 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.924 -7.122 20.895 1.00 33.35 C ATOM 1226 CD2 LEU A 82 20.717 -6.426 19.296 1.00 33.50 C ATOM 0 H LEU A 82 22.564 -7.949 20.461 1.00 72.45 H new ATOM 0 HA LEU A 82 20.251 -9.081 21.857 1.00 71.44 H new ATOM 0 HB2 LEU A 82 21.032 -8.964 18.923 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.522 -9.608 19.539 1.00 34.13 H new ATOM 0 HG LEU A 82 18.936 -7.492 18.795 1.00 12.53 H new ATOM 0 HD11 LEU A 82 18.478 -6.132 20.799 1.00 33.35 H new ATOM 0 HD12 LEU A 82 18.140 -7.857 21.079 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.626 -7.124 21.729 1.00 33.35 H new ATOM 0 HD21 LEU A 82 20.247 -5.446 19.222 1.00 33.50 H new ATOM 0 HD22 LEU A 82 21.463 -6.412 20.091 1.00 33.50 H new ATOM 0 HD23 LEU A 82 21.200 -6.669 18.350 1.00 33.50 H new ATOM 1238 N GLY A 83 22.696 -10.823 21.540 1.00 74.52 N ATOM 1239 CA GLY A 83 23.274 -12.154 21.579 1.00 61.44 C ATOM 1240 C GLY A 83 23.412 -12.767 20.201 1.00 64.05 C ATOM 1241 O GLY A 83 23.064 -13.930 19.993 1.00 12.21 O ATOM 0 H GLY A 83 23.291 -10.086 21.920 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.255 -12.107 22.052 1.00 61.44 H new ATOM 0 HA3 GLY A 83 22.652 -12.799 22.199 1.00 61.44 H new ATOM 1245 N ILE A 84 23.919 -11.984 19.255 1.00 55.22 N ATOM 1246 CA ILE A 84 24.101 -12.457 17.888 1.00 13.14 C ATOM 1247 C ILE A 84 25.556 -12.836 17.627 1.00 55.44 C ATOM 1248 O ILE A 84 26.461 -12.380 18.323 1.00 14.52 O ATOM 1249 CB ILE A 84 23.668 -11.393 16.862 1.00 32.24 C ATOM 1250 CG1 ILE A 84 22.332 -10.771 17.272 1.00 51.22 C ATOM 1251 CG2 ILE A 84 23.567 -12.007 15.473 1.00 0.21 C ATOM 1252 CD1 ILE A 84 21.205 -11.774 17.381 1.00 63.44 C ATOM 0 H ILE A 84 24.211 -11.019 19.410 1.00 55.22 H new ATOM 0 HA ILE A 84 23.471 -13.339 17.772 1.00 13.14 H new ATOM 0 HB ILE A 84 24.422 -10.606 16.837 1.00 32.24 H new ATOM 0 HG12 ILE A 84 22.454 -10.268 18.232 1.00 51.22 H new ATOM 0 HG13 ILE A 84 22.058 -10.007 16.545 1.00 51.22 H new ATOM 0 HG21 ILE A 84 23.260 -11.243 14.759 1.00 0.21 H new ATOM 0 HG22 ILE A 84 24.538 -12.408 15.181 1.00 0.21 H new ATOM 0 HG23 ILE A 84 22.831 -12.811 15.483 1.00 0.21 H new ATOM 0 HD11 ILE A 84 20.289 -11.262 17.675 1.00 63.44 H new ATOM 0 HD12 ILE A 84 21.055 -12.259 16.417 1.00 63.44 H new ATOM 0 HD13 ILE A 84 21.457 -12.525 18.130 1.00 63.44 H new ATOM 1264 N SER A 85 25.770 -13.673 16.617 1.00 21.13 N ATOM 1265 CA SER A 85 27.114 -14.116 16.264 1.00 50.52 C ATOM 1266 C SER A 85 28.067 -12.930 16.161 1.00 44.03 C ATOM 1267 O SER A 85 27.757 -11.902 15.560 1.00 31.33 O ATOM 1268 CB SER A 85 27.090 -14.882 14.940 1.00 54.22 C ATOM 1269 OG SER A 85 27.574 -16.203 15.106 1.00 53.22 O ATOM 0 H SER A 85 25.031 -14.058 16.029 1.00 21.13 H new ATOM 0 HA SER A 85 27.470 -14.779 17.053 1.00 50.52 H new ATOM 0 HB2 SER A 85 26.072 -14.911 14.551 1.00 54.22 H new ATOM 0 HB3 SER A 85 27.698 -14.359 14.202 1.00 54.22 H new ATOM 0 HG SER A 85 27.547 -16.672 14.246 1.00 53.22 H new ATOM 1275 N PRO A 86 29.258 -13.074 16.763 1.00 0.11 N ATOM 1276 CA PRO A 86 30.282 -12.025 16.754 1.00 54.45 C ATOM 1277 C PRO A 86 30.895 -11.826 15.372 1.00 45.13 C ATOM 1278 O PRO A 86 30.995 -10.701 14.884 1.00 52.05 O ATOM 1279 CB PRO A 86 31.333 -12.548 17.735 1.00 32.51 C ATOM 1280 CG PRO A 86 31.161 -14.027 17.722 1.00 54.43 C ATOM 1281 CD PRO A 86 29.695 -14.272 17.499 1.00 54.42 C ATOM 0 HA PRO A 86 29.872 -11.052 17.026 1.00 54.45 H new ATOM 0 HB2 PRO A 86 32.339 -12.264 17.426 1.00 32.51 H new ATOM 0 HB3 PRO A 86 31.179 -12.140 18.734 1.00 32.51 H new ATOM 0 HG2 PRO A 86 31.757 -14.482 16.931 1.00 54.43 H new ATOM 0 HG3 PRO A 86 31.491 -14.466 18.663 1.00 54.43 H new ATOM 0 HD2 PRO A 86 29.522 -15.182 16.924 1.00 54.42 H new ATOM 0 HD3 PRO A 86 29.158 -14.383 18.441 1.00 54.42 H new ATOM 1289 N MET A 87 31.303 -12.925 14.746 1.00 52.20 N ATOM 1290 CA MET A 87 31.905 -12.871 13.420 1.00 11.03 C ATOM 1291 C MET A 87 30.858 -12.538 12.361 1.00 60.21 C ATOM 1292 O MET A 87 30.355 -13.427 11.672 1.00 33.13 O ATOM 1293 CB MET A 87 32.579 -14.203 13.087 1.00 52.31 C ATOM 1294 CG MET A 87 31.672 -15.408 13.279 1.00 30.23 C ATOM 1295 SD MET A 87 32.442 -16.707 14.263 1.00 71.42 S ATOM 1296 CE MET A 87 32.855 -17.897 12.989 1.00 23.32 C ATOM 0 H MET A 87 31.227 -13.864 15.137 1.00 52.20 H new ATOM 0 HA MET A 87 32.658 -12.083 13.422 1.00 11.03 H new ATOM 0 HB2 MET A 87 32.923 -14.178 12.053 1.00 52.31 H new ATOM 0 HB3 MET A 87 33.463 -14.320 13.714 1.00 52.31 H new ATOM 0 HG2 MET A 87 30.749 -15.090 13.763 1.00 30.23 H new ATOM 0 HG3 MET A 87 31.398 -15.810 12.304 1.00 30.23 H new ATOM 0 HE1 MET A 87 33.340 -18.761 13.442 1.00 23.32 H new ATOM 0 HE2 MET A 87 31.945 -18.217 12.481 1.00 23.32 H new ATOM 0 HE3 MET A 87 33.531 -17.438 12.268 1.00 23.32 H new ATOM 1306 N HIS A 88 30.534 -11.255 12.237 1.00 53.41 N ATOM 1307 CA HIS A 88 29.546 -10.807 11.262 1.00 33.42 C ATOM 1308 C HIS A 88 30.166 -9.823 10.275 1.00 73.05 C ATOM 1309 O HIS A 88 29.676 -9.659 9.158 1.00 73.13 O ATOM 1310 CB HIS A 88 28.358 -10.155 11.971 1.00 42.20 C ATOM 1311 CG HIS A 88 27.176 -9.935 11.077 1.00 1.22 C ATOM 1312 ND1 HIS A 88 26.957 -8.756 10.397 1.00 11.32 N ATOM 1313 CD2 HIS A 88 26.146 -10.750 10.754 1.00 14.24 C ATOM 1314 CE1 HIS A 88 25.843 -8.856 9.695 1.00 62.14 C ATOM 1315 NE2 HIS A 88 25.332 -10.057 9.894 1.00 62.24 N ATOM 0 H HIS A 88 30.941 -10.508 12.799 1.00 53.41 H new ATOM 0 HA HIS A 88 29.196 -11.679 10.709 1.00 33.42 H new ATOM 0 HB2 HIS A 88 28.057 -10.782 12.810 1.00 42.20 H new ATOM 0 HB3 HIS A 88 28.673 -9.197 12.386 1.00 42.20 H new ATOM 0 HD1 HIS A 88 27.561 -7.935 10.431 1.00 11.32 H new ATOM 0 HD2 HIS A 88 25.993 -11.759 11.107 1.00 14.24 H new ATOM 0 HE1 HIS A 88 25.422 -8.086 9.065 1.00 62.14 H new ATOM 1323 N GLU A 89 31.246 -9.172 10.695 1.00 70.23 N ATOM 1324 CA GLU A 89 31.932 -8.203 9.847 1.00 14.34 C ATOM 1325 C GLU A 89 30.930 -7.392 9.029 1.00 75.32 C ATOM 1326 O GLU A 89 30.702 -7.673 7.851 1.00 72.42 O ATOM 1327 CB GLU A 89 32.913 -8.914 8.913 1.00 53.11 C ATOM 1328 CG GLU A 89 32.322 -10.131 8.221 1.00 61.24 C ATOM 1329 CD GLU A 89 33.299 -10.791 7.267 1.00 1.31 C ATOM 1330 OE1 GLU A 89 34.502 -10.462 7.329 1.00 4.11 O ATOM 1331 OE2 GLU A 89 32.861 -11.638 6.461 1.00 3.31 O1- ATOM 0 H GLU A 89 31.665 -9.298 11.617 1.00 70.23 H new ATOM 0 HA GLU A 89 32.486 -7.521 10.492 1.00 14.34 H new ATOM 0 HB2 GLU A 89 33.258 -8.209 8.157 1.00 53.11 H new ATOM 0 HB3 GLU A 89 33.788 -9.221 9.485 1.00 53.11 H new ATOM 0 HG2 GLU A 89 32.008 -10.855 8.973 1.00 61.24 H new ATOM 0 HG3 GLU A 89 31.428 -9.834 7.672 1.00 61.24 H new ATOM 1338 N HIS A 90 30.336 -6.386 9.661 1.00 74.52 N ATOM 1339 CA HIS A 90 29.359 -5.534 8.992 1.00 55.24 C ATOM 1340 C HIS A 90 29.912 -5.005 7.672 1.00 4.33 C ATOM 1341 O HIS A 90 31.117 -4.797 7.532 1.00 31.43 O ATOM 1342 CB HIS A 90 28.965 -4.366 9.898 1.00 13.21 C ATOM 1343 CG HIS A 90 30.137 -3.597 10.427 1.00 63.34 C ATOM 1344 ND1 HIS A 90 30.565 -3.684 11.736 1.00 35.31 N ATOM 1345 CD2 HIS A 90 30.974 -2.726 9.817 1.00 64.40 C ATOM 1346 CE1 HIS A 90 31.612 -2.897 11.908 1.00 72.11 C ATOM 1347 NE2 HIS A 90 31.881 -2.305 10.758 1.00 23.52 N ATOM 0 H HIS A 90 30.513 -6.140 10.635 1.00 74.52 H new ATOM 0 HA HIS A 90 28.475 -6.135 8.780 1.00 55.24 H new ATOM 0 HB2 HIS A 90 28.317 -3.688 9.342 1.00 13.21 H new ATOM 0 HB3 HIS A 90 28.383 -4.748 10.737 1.00 13.21 H new ATOM 0 HD2 HIS A 90 30.936 -2.419 8.782 1.00 64.40 H new ATOM 0 HE1 HIS A 90 32.155 -2.761 12.831 1.00 72.11 H new ATOM 0 HE2 HIS A 90 32.639 -1.643 10.595 1.00 23.52 H new ATOM 1355 N ALA A 91 29.024 -4.791 6.708 1.00 73.52 N ATOM 1356 CA ALA A 91 29.422 -4.285 5.400 1.00 22.23 C ATOM 1357 C ALA A 91 29.138 -2.793 5.277 1.00 61.21 C ATOM 1358 O ALA A 91 28.711 -2.153 6.238 1.00 23.03 O ATOM 1359 CB ALA A 91 28.709 -5.054 4.298 1.00 3.52 C ATOM 0 H ALA A 91 28.023 -4.960 6.808 1.00 73.52 H new ATOM 0 HA ALA A 91 30.497 -4.432 5.293 1.00 22.23 H new ATOM 0 HB1 ALA A 91 29.015 -4.666 3.327 1.00 3.52 H new ATOM 0 HB2 ALA A 91 28.969 -6.110 4.365 1.00 3.52 H new ATOM 0 HB3 ALA A 91 27.631 -4.937 4.412 1.00 3.52 H new ATOM 1365 N GLU A 92 29.378 -2.245 4.090 1.00 73.32 N ATOM 1366 CA GLU A 92 29.148 -0.826 3.844 1.00 2.25 C ATOM 1367 C GLU A 92 28.634 -0.596 2.426 1.00 25.30 C ATOM 1368 O GLU A 92 28.918 -1.376 1.517 1.00 13.50 O ATOM 1369 CB GLU A 92 30.437 -0.032 4.067 1.00 43.31 C ATOM 1370 CG GLU A 92 31.666 -0.679 3.450 1.00 22.11 C ATOM 1371 CD GLU A 92 32.338 -1.664 4.387 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.645 -1.279 5.534 1.00 61.05 O ATOM 1373 OE2 GLU A 92 32.556 -2.823 3.971 1.00 32.20 O1- ATOM 0 H GLU A 92 29.731 -2.761 3.284 1.00 73.32 H new ATOM 0 HA GLU A 92 28.390 -0.479 4.547 1.00 2.25 H new ATOM 0 HB2 GLU A 92 30.315 0.967 3.649 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.599 0.088 5.138 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.380 -1.193 2.533 1.00 22.11 H new ATOM 0 HG3 GLU A 92 32.379 0.097 3.171 1.00 22.11 H new ATOM 1380 N VAL A 93 27.876 0.481 2.246 1.00 70.21 N ATOM 1381 CA VAL A 93 27.322 0.816 0.939 1.00 61.32 C ATOM 1382 C VAL A 93 28.035 2.018 0.331 1.00 43.24 C ATOM 1383 O VAL A 93 27.898 3.144 0.812 1.00 3.54 O ATOM 1384 CB VAL A 93 25.815 1.119 1.029 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.213 1.255 -0.362 1.00 24.13 C ATOM 1386 CG2 VAL A 93 25.101 0.035 1.823 1.00 41.15 C ATOM 0 H VAL A 93 27.631 1.136 2.988 1.00 70.21 H new ATOM 0 HA VAL A 93 27.473 -0.054 0.300 1.00 61.32 H new ATOM 0 HB VAL A 93 25.683 2.067 1.550 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.148 1.469 -0.278 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.706 2.069 -0.894 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.354 0.325 -0.912 1.00 24.13 H new ATOM 0 HG21 VAL A 93 24.037 0.265 1.877 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.240 -0.928 1.331 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.514 -0.010 2.831 1.00 41.15 H new ATOM 1396 N VAL A 94 28.799 1.773 -0.729 1.00 55.22 N ATOM 1397 CA VAL A 94 29.533 2.836 -1.405 1.00 54.44 C ATOM 1398 C VAL A 94 29.242 2.840 -2.902 1.00 72.33 C ATOM 1399 O VAL A 94 29.678 1.950 -3.632 1.00 31.22 O ATOM 1400 CB VAL A 94 31.051 2.694 -1.189 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.785 3.910 -1.736 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.363 2.494 0.287 1.00 32.44 C ATOM 0 H VAL A 94 28.926 0.847 -1.138 1.00 55.22 H new ATOM 0 HA VAL A 94 29.198 3.778 -0.971 1.00 54.44 H new ATOM 0 HB VAL A 94 31.396 1.815 -1.733 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.856 3.791 -1.574 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.587 4.004 -2.804 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.437 4.806 -1.222 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.440 2.395 0.421 1.00 32.44 H new ATOM 0 HG22 VAL A 94 31.004 3.353 0.854 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.869 1.590 0.644 1.00 32.44 H new ATOM 1412 N PHE A 95 28.501 3.848 -3.352 1.00 74.21 N ATOM 1413 CA PHE A 95 28.151 3.968 -4.762 1.00 3.42 C ATOM 1414 C PHE A 95 28.511 5.352 -5.297 1.00 14.12 C ATOM 1415 O PHE A 95 28.438 6.347 -4.575 1.00 41.52 O ATOM 1416 CB PHE A 95 26.657 3.705 -4.962 1.00 1.11 C ATOM 1417 CG PHE A 95 26.319 2.248 -5.102 1.00 21.10 C ATOM 1418 CD1 PHE A 95 26.496 1.595 -6.311 1.00 70.40 C ATOM 1419 CD2 PHE A 95 25.822 1.532 -4.025 1.00 44.02 C ATOM 1420 CE1 PHE A 95 26.187 0.254 -6.443 1.00 25.12 C ATOM 1421 CE2 PHE A 95 25.511 0.191 -4.150 1.00 24.42 C ATOM 1422 CZ PHE A 95 25.692 -0.448 -5.361 1.00 43.33 C ATOM 0 H PHE A 95 28.132 4.593 -2.761 1.00 74.21 H new ATOM 0 HA PHE A 95 28.722 3.224 -5.317 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.107 4.118 -4.116 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.319 4.236 -5.852 1.00 1.11 H new ATOM 0 HD1 PHE A 95 26.880 2.140 -7.161 1.00 70.40 H new ATOM 0 HD2 PHE A 95 25.676 2.028 -3.077 1.00 44.02 H new ATOM 0 HE1 PHE A 95 26.332 -0.244 -7.390 1.00 25.12 H new ATOM 0 HE2 PHE A 95 25.127 -0.356 -3.302 1.00 24.42 H new ATOM 0 HZ PHE A 95 25.447 -1.495 -5.462 1.00 43.33 H new ATOM 1432 N THR A 96 28.901 5.405 -6.566 1.00 44.40 N ATOM 1433 CA THR A 96 29.275 6.666 -7.198 1.00 34.31 C ATOM 1434 C THR A 96 28.399 6.952 -8.412 1.00 25.23 C ATOM 1435 O THR A 96 27.993 6.037 -9.126 1.00 11.30 O ATOM 1436 CB THR A 96 30.752 6.659 -7.633 1.00 71.34 C ATOM 1437 OG1 THR A 96 31.121 7.949 -8.131 1.00 53.43 O ATOM 1438 CG2 THR A 96 30.996 5.607 -8.705 1.00 41.12 C ATOM 0 H THR A 96 28.966 4.591 -7.177 1.00 44.40 H new ATOM 0 HA THR A 96 29.127 7.450 -6.455 1.00 34.31 H new ATOM 0 HB THR A 96 31.363 6.417 -6.763 1.00 71.34 H new ATOM 0 HG1 THR A 96 32.062 7.937 -8.404 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.046 5.621 -8.996 1.00 41.12 H new ATOM 0 HG22 THR A 96 30.741 4.622 -8.313 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.375 5.823 -9.575 1.00 41.12 H new ATOM 1446 N ALA A 97 28.113 8.229 -8.641 1.00 2.00 N ATOM 1447 CA ALA A 97 27.288 8.637 -9.771 1.00 54.14 C ATOM 1448 C ALA A 97 28.101 8.671 -11.060 1.00 75.12 C ATOM 1449 O ALA A 97 29.328 8.761 -11.029 1.00 3.52 O ATOM 1450 CB ALA A 97 26.661 9.997 -9.504 1.00 3.33 C ATOM 0 H ALA A 97 28.441 8.999 -8.058 1.00 2.00 H new ATOM 0 HA ALA A 97 26.493 7.901 -9.893 1.00 54.14 H new ATOM 0 HB1 ALA A 97 26.048 10.289 -10.357 1.00 3.33 H new ATOM 0 HB2 ALA A 97 26.038 9.942 -8.611 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.447 10.737 -9.353 1.00 3.33 H new ATOM 1456 N ASN A 98 27.410 8.597 -12.193 1.00 61.44 N ATOM 1457 CA ASN A 98 28.070 8.618 -13.494 1.00 5.53 C ATOM 1458 C ASN A 98 28.972 7.400 -13.666 1.00 5.21 C ATOM 1459 O ASN A 98 29.993 7.463 -14.350 1.00 32.32 O ATOM 1460 CB ASN A 98 28.889 9.900 -13.653 1.00 33.23 C ATOM 1461 CG ASN A 98 29.079 10.289 -15.106 1.00 11.24 C ATOM 1462 OD1 ASN A 98 28.207 10.053 -15.942 1.00 54.42 O ATOM 1463 ND2 ASN A 98 30.224 10.888 -15.413 1.00 42.15 N ATOM 0 H ASN A 98 26.394 8.522 -12.237 1.00 61.44 H new ATOM 0 HA ASN A 98 27.300 8.589 -14.265 1.00 5.53 H new ATOM 0 HB2 ASN A 98 28.392 10.713 -13.124 1.00 33.23 H new ATOM 0 HB3 ASN A 98 29.864 9.765 -13.185 1.00 33.23 H new ATOM 0 HD21 ASN A 98 30.409 11.173 -16.375 1.00 42.15 H new ATOM 0 HD22 ASN A 98 30.918 11.064 -14.687 1.00 42.15 H new ATOM 1470 N ASP A 99 28.587 6.292 -13.041 1.00 51.43 N ATOM 1471 CA ASP A 99 29.360 5.058 -13.127 1.00 34.13 C ATOM 1472 C ASP A 99 28.557 3.962 -13.820 1.00 63.24 C ATOM 1473 O ASP A 99 29.124 3.048 -14.419 1.00 54.14 O ATOM 1474 CB ASP A 99 29.778 4.596 -11.730 1.00 61.02 C ATOM 1475 CG ASP A 99 28.684 3.819 -11.026 1.00 31.11 C ATOM 1476 OD1 ASP A 99 27.531 4.299 -11.010 1.00 41.04 O1- ATOM 1477 OD2 ASP A 99 28.979 2.731 -10.489 1.00 64.44 O ATOM 0 H ASP A 99 27.745 6.223 -12.470 1.00 51.43 H new ATOM 0 HA ASP A 99 30.254 5.257 -13.718 1.00 34.13 H new ATOM 0 HB2 ASP A 99 30.669 3.973 -11.808 1.00 61.02 H new ATOM 0 HB3 ASP A 99 30.047 5.464 -11.129 1.00 61.02 H new ATOM 1482 N SER A 100 27.234 4.058 -13.733 1.00 31.43 N ATOM 1483 CA SER A 100 26.353 3.072 -14.348 1.00 54.41 C ATOM 1484 C SER A 100 25.119 3.742 -14.943 1.00 0.22 C ATOM 1485 O SER A 100 25.048 4.966 -15.038 1.00 0.22 O ATOM 1486 CB SER A 100 25.931 2.023 -13.317 1.00 62.41 C ATOM 1487 OG SER A 100 27.057 1.493 -12.638 1.00 71.24 O ATOM 0 H SER A 100 26.749 4.809 -13.242 1.00 31.43 H new ATOM 0 HA SER A 100 26.901 2.582 -15.152 1.00 54.41 H new ATOM 0 HB2 SER A 100 25.246 2.471 -12.597 1.00 62.41 H new ATOM 0 HB3 SER A 100 25.390 1.218 -13.814 1.00 62.41 H new ATOM 0 HG SER A 100 26.761 0.826 -11.984 1.00 71.24 H new ATOM 1493 N GLY A 101 24.147 2.928 -15.344 1.00 34.22 N ATOM 1494 CA GLY A 101 22.928 3.458 -15.926 1.00 51.22 C ATOM 1495 C GLY A 101 21.923 3.887 -14.876 1.00 34.21 C ATOM 1496 O GLY A 101 21.734 5.075 -14.616 1.00 62.14 O ATOM 0 H GLY A 101 24.182 1.911 -15.276 1.00 34.22 H new ATOM 0 HA2 GLY A 101 23.172 4.310 -16.560 1.00 51.22 H new ATOM 0 HA3 GLY A 101 22.477 2.702 -16.568 1.00 51.22 H new ATOM 1500 N PRO A 102 21.256 2.904 -14.253 1.00 21.34 N ATOM 1501 CA PRO A 102 20.253 3.161 -13.216 1.00 0.44 C ATOM 1502 C PRO A 102 20.873 3.690 -11.927 1.00 41.02 C ATOM 1503 O PRO A 102 22.070 3.524 -11.690 1.00 2.14 O ATOM 1504 CB PRO A 102 19.624 1.786 -12.981 1.00 64.03 C ATOM 1505 CG PRO A 102 20.678 0.813 -13.387 1.00 43.03 C ATOM 1506 CD PRO A 102 21.431 1.465 -14.512 1.00 62.14 C ATOM 0 HA PRO A 102 19.538 3.925 -13.522 1.00 0.44 H new ATOM 0 HB2 PRO A 102 19.343 1.652 -11.936 1.00 64.03 H new ATOM 0 HB3 PRO A 102 18.718 1.659 -13.574 1.00 64.03 H new ATOM 0 HG2 PRO A 102 21.342 0.586 -12.553 1.00 43.03 H new ATOM 0 HG3 PRO A 102 20.236 -0.130 -13.708 1.00 43.03 H new ATOM 0 HD2 PRO A 102 22.483 1.181 -14.508 1.00 62.14 H new ATOM 0 HD3 PRO A 102 21.028 1.180 -15.484 1.00 62.14 H new ATOM 1514 N ARG A 103 20.052 4.326 -11.098 1.00 23.34 N ATOM 1515 CA ARG A 103 20.522 4.879 -9.834 1.00 62.04 C ATOM 1516 C ARG A 103 19.789 4.243 -8.656 1.00 14.33 C ATOM 1517 O ARG A 103 18.868 3.448 -8.842 1.00 52.44 O ATOM 1518 CB ARG A 103 20.324 6.397 -9.812 1.00 30.24 C ATOM 1519 CG ARG A 103 18.865 6.821 -9.852 1.00 22.53 C ATOM 1520 CD ARG A 103 18.688 8.253 -9.375 1.00 52.13 C ATOM 1521 NE ARG A 103 19.385 9.207 -10.234 1.00 1.11 N ATOM 1522 CZ ARG A 103 18.896 9.653 -11.387 1.00 54.03 C ATOM 1523 NH1 ARG A 103 17.714 9.232 -11.815 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 19.590 10.519 -12.113 1.00 64.44 N ATOM 0 H ARG A 103 19.059 4.471 -11.279 1.00 23.34 H new ATOM 0 HA ARG A 103 21.585 4.656 -9.742 1.00 62.04 H new ATOM 0 HB2 ARG A 103 20.787 6.802 -8.912 1.00 30.24 H new ATOM 0 HB3 ARG A 103 20.845 6.835 -10.663 1.00 30.24 H new ATOM 0 HG2 ARG A 103 18.485 6.726 -10.869 1.00 22.53 H new ATOM 0 HG3 ARG A 103 18.273 6.152 -9.227 1.00 22.53 H new ATOM 0 HD2 ARG A 103 17.626 8.498 -9.349 1.00 52.13 H new ATOM 0 HD3 ARG A 103 19.061 8.344 -8.355 1.00 52.13 H new ATOM 0 HE ARG A 103 20.297 9.550 -9.933 1.00 1.11 H new ATOM 0 HH11 ARG A 103 17.178 8.565 -11.259 1.00 3.14 H new ATOM 0 HH12 ARG A 103 17.340 9.575 -12.700 1.00 3.14 H new ATOM 0 HH21 ARG A 103 20.500 10.844 -11.787 1.00 64.44 H new ATOM 0 HH22 ARG A 103 19.214 10.860 -12.997 1.00 64.44 H new ATOM 1538 N ARG A 104 20.205 4.599 -7.445 1.00 24.02 N ATOM 1539 CA ARG A 104 19.589 4.062 -6.237 1.00 24.20 C ATOM 1540 C ARG A 104 19.284 5.176 -5.241 1.00 1.51 C ATOM 1541 O ARG A 104 20.022 6.156 -5.145 1.00 72.24 O ATOM 1542 CB ARG A 104 20.507 3.022 -5.592 1.00 25.22 C ATOM 1543 CG ARG A 104 20.266 1.605 -6.087 1.00 31.23 C ATOM 1544 CD ARG A 104 21.000 1.339 -7.392 1.00 34.05 C ATOM 1545 NE ARG A 104 20.263 0.424 -8.258 1.00 31.23 N ATOM 1546 CZ ARG A 104 20.692 0.038 -9.454 1.00 4.22 C ATOM 1547 NH1 ARG A 104 21.848 0.485 -9.923 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 19.964 -0.798 -10.184 1.00 33.42 N ATOM 0 H ARG A 104 20.966 5.257 -7.274 1.00 24.02 H new ATOM 0 HA ARG A 104 18.651 3.584 -6.518 1.00 24.20 H new ATOM 0 HB2 ARG A 104 21.544 3.294 -5.787 1.00 25.22 H new ATOM 0 HB3 ARG A 104 20.369 3.049 -4.511 1.00 25.22 H new ATOM 0 HG2 ARG A 104 20.596 0.893 -5.331 1.00 31.23 H new ATOM 0 HG3 ARG A 104 19.197 1.445 -6.230 1.00 31.23 H new ATOM 0 HD2 ARG A 104 21.162 2.281 -7.915 1.00 34.05 H new ATOM 0 HD3 ARG A 104 21.983 0.921 -7.176 1.00 34.05 H new ATOM 0 HE ARG A 104 19.369 0.061 -7.926 1.00 31.23 H new ATOM 0 HH11 ARG A 104 22.411 1.127 -9.365 1.00 33.51 H new ATOM 0 HH12 ARG A 104 22.175 0.187 -10.842 1.00 33.51 H new ATOM 0 HH21 ARG A 104 19.074 -1.145 -9.826 1.00 33.42 H new ATOM 0 HH22 ARG A 104 20.295 -1.094 -11.102 1.00 33.42 H new ATOM 1562 N TYR A 105 18.192 5.018 -4.502 1.00 3.31 N ATOM 1563 CA TYR A 105 17.787 6.011 -3.514 1.00 51.11 C ATOM 1564 C TYR A 105 17.783 5.414 -2.110 1.00 4.42 C ATOM 1565 O TYR A 105 18.071 6.100 -1.129 1.00 2.22 O ATOM 1566 CB TYR A 105 16.399 6.559 -3.851 1.00 3.13 C ATOM 1567 CG TYR A 105 15.396 5.487 -4.214 1.00 74.50 C ATOM 1568 CD1 TYR A 105 14.638 4.859 -3.235 1.00 12.00 C ATOM 1569 CD2 TYR A 105 15.208 5.103 -5.536 1.00 22.34 C ATOM 1570 CE1 TYR A 105 13.721 3.878 -3.562 1.00 50.15 C ATOM 1571 CE2 TYR A 105 14.292 4.126 -5.872 1.00 51.10 C ATOM 1572 CZ TYR A 105 13.552 3.516 -4.882 1.00 33.34 C ATOM 1573 OH TYR A 105 12.639 2.540 -5.213 1.00 22.10 O ATOM 0 H TYR A 105 17.571 4.212 -4.568 1.00 3.31 H new ATOM 0 HA TYR A 105 18.509 6.827 -3.540 1.00 51.11 H new ATOM 0 HB2 TYR A 105 16.023 7.122 -2.997 1.00 3.13 H new ATOM 0 HB3 TYR A 105 16.486 7.259 -4.682 1.00 3.13 H new ATOM 0 HD1 TYR A 105 14.767 5.142 -2.201 1.00 12.00 H new ATOM 0 HD2 TYR A 105 15.788 5.577 -6.314 1.00 22.34 H new ATOM 0 HE1 TYR A 105 13.140 3.398 -2.788 1.00 50.15 H new ATOM 0 HE2 TYR A 105 14.156 3.841 -6.905 1.00 51.10 H new ATOM 0 HH TYR A 105 12.642 2.405 -6.184 1.00 22.10 H new ATOM 1583 N THR A 106 17.454 4.128 -2.021 1.00 40.24 N ATOM 1584 CA THR A 106 17.412 3.437 -0.740 1.00 32.41 C ATOM 1585 C THR A 106 18.628 2.535 -0.560 1.00 71.02 C ATOM 1586 O THR A 106 19.030 1.830 -1.486 1.00 75.23 O ATOM 1587 CB THR A 106 16.133 2.590 -0.601 1.00 75.32 C ATOM 1588 OG1 THR A 106 14.977 3.432 -0.668 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.133 1.823 0.713 1.00 12.31 C ATOM 0 H THR A 106 17.213 3.545 -2.822 1.00 40.24 H new ATOM 0 HA THR A 106 17.417 4.205 0.033 1.00 32.41 H new ATOM 0 HB THR A 106 16.107 1.874 -1.422 1.00 75.32 H new ATOM 0 HG1 THR A 106 14.667 3.488 -1.596 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.220 1.232 0.789 1.00 12.31 H new ATOM 0 HG22 THR A 106 16.998 1.161 0.748 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.181 2.526 1.545 1.00 12.31 H new ATOM 1597 N ILE A 107 19.208 2.562 0.634 1.00 54.05 N ATOM 1598 CA ILE A 107 20.377 1.745 0.934 1.00 74.20 C ATOM 1599 C ILE A 107 19.969 0.354 1.407 1.00 63.32 C ATOM 1600 O ILE A 107 19.387 0.199 2.480 1.00 31.52 O ATOM 1601 CB ILE A 107 21.263 2.402 2.010 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.917 3.670 1.458 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.319 1.422 2.496 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.217 4.944 1.879 1.00 32.11 C ATOM 0 H ILE A 107 18.888 3.141 1.410 1.00 54.05 H new ATOM 0 HA ILE A 107 20.947 1.659 0.009 1.00 74.20 H new ATOM 0 HB ILE A 107 20.636 2.679 2.857 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.954 3.708 1.790 1.00 42.14 H new ATOM 0 HG13 ILE A 107 21.933 3.616 0.369 1.00 42.14 H new ATOM 0 HG21 ILE A 107 22.937 1.900 3.256 1.00 44.24 H new ATOM 0 HG22 ILE A 107 21.832 0.545 2.923 1.00 44.24 H new ATOM 0 HG23 ILE A 107 22.945 1.117 1.658 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.735 5.802 1.451 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.187 4.928 1.523 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.224 5.021 2.966 1.00 32.11 H new ATOM 1616 N ALA A 108 20.281 -0.654 0.600 1.00 21.23 N ATOM 1617 CA ALA A 108 19.951 -2.033 0.938 1.00 2.35 C ATOM 1618 C ALA A 108 21.099 -2.706 1.681 1.00 63.45 C ATOM 1619 O ALA A 108 22.159 -2.957 1.110 1.00 51.45 O ATOM 1620 CB ALA A 108 19.603 -2.815 -0.320 1.00 32.14 C ATOM 0 H ALA A 108 20.762 -0.542 -0.293 1.00 21.23 H new ATOM 0 HA ALA A 108 19.083 -2.022 1.598 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.359 -3.843 -0.053 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.746 -2.354 -0.810 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.455 -2.809 -0.999 1.00 32.14 H new ATOM 1626 N ALA A 109 20.881 -2.996 2.960 1.00 63.22 N ATOM 1627 CA ALA A 109 21.897 -3.641 3.782 1.00 54.44 C ATOM 1628 C ALA A 109 21.337 -4.877 4.478 1.00 42.04 C ATOM 1629 O ALA A 109 20.485 -4.770 5.360 1.00 35.23 O ATOM 1630 CB ALA A 109 22.450 -2.660 4.805 1.00 2.42 C ATOM 0 H ALA A 109 20.009 -2.794 3.449 1.00 63.22 H new ATOM 0 HA ALA A 109 22.708 -3.961 3.128 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.208 -3.156 5.412 1.00 2.42 H new ATOM 0 HB2 ALA A 109 22.897 -1.810 4.289 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.642 -2.311 5.448 1.00 2.42 H new ATOM 1636 N MET A 110 21.821 -6.047 4.077 1.00 0.21 N ATOM 1637 CA MET A 110 21.368 -7.303 4.664 1.00 34.20 C ATOM 1638 C MET A 110 22.433 -7.887 5.587 1.00 44.24 C ATOM 1639 O MET A 110 23.564 -8.135 5.168 1.00 31.10 O ATOM 1640 CB MET A 110 21.022 -8.309 3.565 1.00 34.11 C ATOM 1641 CG MET A 110 19.652 -8.085 2.945 1.00 44.03 C ATOM 1642 SD MET A 110 19.128 -9.459 1.901 1.00 11.42 S ATOM 1643 CE MET A 110 18.222 -10.455 3.082 1.00 12.22 C ATOM 0 H MET A 110 22.527 -6.152 3.348 1.00 0.21 H new ATOM 0 HA MET A 110 20.474 -7.098 5.253 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.779 -8.255 2.783 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.064 -9.316 3.980 1.00 34.11 H new ATOM 0 HG2 MET A 110 18.919 -7.936 3.738 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.671 -7.170 2.352 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.555 -11.491 3.016 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.403 -10.079 4.089 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.156 -10.402 2.861 1.00 12.22 H new ATOM 1653 N LEU A 111 22.064 -8.104 6.844 1.00 51.13 N ATOM 1654 CA LEU A 111 22.987 -8.659 7.828 1.00 21.14 C ATOM 1655 C LEU A 111 23.083 -10.175 7.691 1.00 54.03 C ATOM 1656 O LEU A 111 22.468 -10.918 8.455 1.00 63.05 O ATOM 1657 CB LEU A 111 22.539 -8.291 9.243 1.00 12.44 C ATOM 1658 CG LEU A 111 22.365 -6.799 9.526 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.433 -5.990 8.806 1.00 71.33 C ATOM 1660 CD2 LEU A 111 20.975 -6.336 9.112 1.00 62.42 C ATOM 0 H LEU A 111 21.132 -7.904 7.206 1.00 51.13 H new ATOM 0 HA LEU A 111 23.973 -8.233 7.644 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.592 -8.791 9.444 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.267 -8.692 9.949 1.00 12.44 H new ATOM 0 HG LEU A 111 22.477 -6.638 10.598 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.293 -4.930 9.020 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.419 -6.302 9.150 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.354 -6.157 7.732 1.00 71.33 H new ATOM 0 HD21 LEU A 111 20.869 -5.271 9.321 1.00 62.42 H new ATOM 0 HD22 LEU A 111 20.835 -6.512 8.045 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.224 -6.892 9.673 1.00 62.42 H new ATOM 1672 N SER A 112 23.862 -10.627 6.712 1.00 54.12 N ATOM 1673 CA SER A 112 24.037 -12.055 6.473 1.00 12.24 C ATOM 1674 C SER A 112 25.130 -12.626 7.372 1.00 22.43 C ATOM 1675 O SER A 112 25.977 -11.903 7.899 1.00 1.40 O ATOM 1676 CB SER A 112 24.384 -12.309 5.005 1.00 43.45 C ATOM 1677 OG SER A 112 25.131 -11.233 4.464 1.00 13.22 O ATOM 0 H SER A 112 24.381 -10.025 6.073 1.00 54.12 H new ATOM 0 HA SER A 112 23.098 -12.556 6.709 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.956 -13.233 4.918 1.00 43.45 H new ATOM 0 HB3 SER A 112 23.468 -12.445 4.430 1.00 43.45 H new ATOM 0 HG SER A 112 24.520 -10.527 4.167 1.00 13.22 H new ATOM 1683 N PRO A 113 25.113 -13.955 7.553 1.00 22.02 N ATOM 1684 CA PRO A 113 26.095 -14.653 8.386 1.00 43.14 C ATOM 1685 C PRO A 113 27.486 -14.658 7.763 1.00 2.12 C ATOM 1686 O PRO A 113 27.724 -14.003 6.747 1.00 12.34 O ATOM 1687 CB PRO A 113 25.540 -16.078 8.469 1.00 50.43 C ATOM 1688 CG PRO A 113 24.714 -16.235 7.240 1.00 10.11 C ATOM 1689 CD PRO A 113 24.132 -14.877 6.956 1.00 23.20 C ATOM 0 HA PRO A 113 26.221 -14.173 9.356 1.00 43.14 H new ATOM 0 HB2 PRO A 113 26.343 -16.814 8.503 1.00 50.43 H new ATOM 0 HB3 PRO A 113 24.941 -16.218 9.369 1.00 50.43 H new ATOM 0 HG2 PRO A 113 25.321 -16.582 6.404 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.926 -16.973 7.391 1.00 10.11 H new ATOM 0 HD2 PRO A 113 24.018 -14.704 5.886 1.00 23.20 H new ATOM 0 HD3 PRO A 113 23.146 -14.760 7.405 1.00 23.20 H new ATOM 1697 N TYR A 114 28.401 -15.400 8.375 1.00 23.50 N ATOM 1698 CA TYR A 114 29.770 -15.489 7.881 1.00 1.14 C ATOM 1699 C TYR A 114 29.815 -16.189 6.526 1.00 43.00 C ATOM 1700 O TYR A 114 29.794 -17.417 6.448 1.00 5.21 O ATOM 1701 CB TYR A 114 30.650 -16.238 8.883 1.00 52.22 C ATOM 1702 CG TYR A 114 32.131 -16.024 8.667 1.00 0.42 C ATOM 1703 CD1 TYR A 114 32.826 -16.754 7.711 1.00 13.42 C ATOM 1704 CD2 TYR A 114 32.834 -15.091 9.418 1.00 43.22 C ATOM 1705 CE1 TYR A 114 34.179 -16.563 7.511 1.00 52.31 C ATOM 1706 CE2 TYR A 114 34.188 -14.893 9.224 1.00 31.41 C ATOM 1707 CZ TYR A 114 34.855 -15.631 8.269 1.00 63.53 C ATOM 1708 OH TYR A 114 36.204 -15.437 8.072 1.00 74.32 O ATOM 0 H TYR A 114 28.220 -15.949 9.215 1.00 23.50 H new ATOM 0 HA TYR A 114 30.152 -14.475 7.760 1.00 1.14 H new ATOM 0 HB2 TYR A 114 30.389 -15.919 9.892 1.00 52.22 H new ATOM 0 HB3 TYR A 114 30.432 -17.304 8.819 1.00 52.22 H new ATOM 0 HD1 TYR A 114 32.299 -17.484 7.114 1.00 13.42 H new ATOM 0 HD2 TYR A 114 32.314 -14.511 10.166 1.00 43.22 H new ATOM 0 HE1 TYR A 114 34.705 -17.141 6.765 1.00 52.31 H new ATOM 0 HE2 TYR A 114 34.721 -14.164 9.817 1.00 31.41 H new ATOM 0 HH TYR A 114 36.528 -14.745 8.686 1.00 74.32 H new ATOM 1718 N SER A 115 29.879 -15.396 5.460 1.00 75.00 N ATOM 1719 CA SER A 115 29.923 -15.938 4.107 1.00 11.22 C ATOM 1720 C SER A 115 31.230 -16.687 3.865 1.00 71.44 C ATOM 1721 O SER A 115 32.298 -16.253 4.299 1.00 23.43 O ATOM 1722 CB SER A 115 29.770 -14.814 3.079 1.00 64.23 C ATOM 1723 OG SER A 115 28.720 -13.933 3.440 1.00 63.14 O ATOM 0 H SER A 115 29.901 -14.377 5.508 1.00 75.00 H new ATOM 0 HA SER A 115 29.095 -16.639 3.996 1.00 11.22 H new ATOM 0 HB2 SER A 115 30.705 -14.258 3.001 1.00 64.23 H new ATOM 0 HB3 SER A 115 29.570 -15.240 2.096 1.00 64.23 H new ATOM 0 HG SER A 115 28.643 -13.223 2.769 1.00 63.14 H new ATOM 1729 N TYR A 116 31.138 -17.816 3.170 1.00 41.15 N ATOM 1730 CA TYR A 116 32.310 -18.628 2.872 1.00 60.33 C ATOM 1731 C TYR A 116 32.820 -18.353 1.461 1.00 73.11 C ATOM 1732 O TYR A 116 33.427 -19.217 0.829 1.00 43.34 O ATOM 1733 CB TYR A 116 31.980 -20.114 3.027 1.00 52.20 C ATOM 1734 CG TYR A 116 33.198 -20.986 3.236 1.00 62.23 C ATOM 1735 CD1 TYR A 116 34.008 -20.825 4.353 1.00 50.21 C ATOM 1736 CD2 TYR A 116 33.537 -21.972 2.317 1.00 64.02 C ATOM 1737 CE1 TYR A 116 35.122 -21.619 4.547 1.00 70.32 C ATOM 1738 CE2 TYR A 116 34.648 -22.771 2.504 1.00 12.14 C ATOM 1739 CZ TYR A 116 35.437 -22.592 3.621 1.00 0.53 C ATOM 1740 OH TYR A 116 36.545 -23.386 3.812 1.00 30.40 O ATOM 0 H TYR A 116 30.263 -18.189 2.803 1.00 41.15 H new ATOM 0 HA TYR A 116 33.094 -18.361 3.580 1.00 60.33 H new ATOM 0 HB2 TYR A 116 31.303 -20.241 3.872 1.00 52.20 H new ATOM 0 HB3 TYR A 116 31.448 -20.454 2.138 1.00 52.20 H new ATOM 0 HD1 TYR A 116 33.763 -20.067 5.082 1.00 50.21 H new ATOM 0 HD2 TYR A 116 32.921 -22.116 1.442 1.00 64.02 H new ATOM 0 HE1 TYR A 116 35.743 -21.479 5.419 1.00 70.32 H new ATOM 0 HE2 TYR A 116 34.898 -23.532 1.779 1.00 12.14 H new ATOM 0 HH TYR A 116 36.624 -24.021 3.070 1.00 30.40 H new ATOM 1750 N SER A 117 32.568 -17.142 0.973 1.00 25.22 N ATOM 1751 CA SER A 117 32.998 -16.753 -0.364 1.00 25.44 C ATOM 1752 C SER A 117 34.438 -16.252 -0.348 1.00 44.43 C ATOM 1753 O SER A 117 35.196 -16.472 -1.293 1.00 74.44 O ATOM 1754 CB SER A 117 32.075 -15.667 -0.923 1.00 52.34 C ATOM 1755 OG SER A 117 30.842 -16.219 -1.354 1.00 35.54 O ATOM 0 H SER A 117 32.068 -16.414 1.484 1.00 25.22 H new ATOM 0 HA SER A 117 32.945 -17.632 -1.006 1.00 25.44 H new ATOM 0 HB2 SER A 117 31.892 -14.912 -0.159 1.00 52.34 H new ATOM 0 HB3 SER A 117 32.564 -15.164 -1.757 1.00 52.34 H new ATOM 0 HG SER A 117 30.269 -15.506 -1.705 1.00 35.54 H new ATOM 1761 N THR A 118 34.811 -15.575 0.735 1.00 33.43 N ATOM 1762 CA THR A 118 36.160 -15.042 0.876 1.00 53.23 C ATOM 1763 C THR A 118 36.698 -15.270 2.283 1.00 74.11 C ATOM 1764 O THR A 118 35.990 -15.066 3.270 1.00 53.14 O ATOM 1765 CB THR A 118 36.203 -13.534 0.560 1.00 13.15 C ATOM 1766 OG1 THR A 118 37.555 -13.066 0.594 1.00 55.10 O ATOM 1767 CG2 THR A 118 35.364 -12.749 1.557 1.00 63.23 C ATOM 0 H THR A 118 34.197 -15.383 1.527 1.00 33.43 H new ATOM 0 HA THR A 118 36.787 -15.575 0.161 1.00 53.23 H new ATOM 0 HB THR A 118 35.791 -13.381 -0.437 1.00 13.15 H new ATOM 0 HG1 THR A 118 37.575 -12.108 0.391 1.00 55.10 H new ATOM 0 HG21 THR A 118 35.409 -11.687 1.314 1.00 63.23 H new ATOM 0 HG22 THR A 118 34.329 -13.088 1.509 1.00 63.23 H new ATOM 0 HG23 THR A 118 35.751 -12.908 2.563 1.00 63.23 H new ATOM 1775 N THR A 119 37.954 -15.695 2.370 1.00 11.45 N ATOM 1776 CA THR A 119 38.586 -15.952 3.658 1.00 25.02 C ATOM 1777 C THR A 119 39.949 -15.274 3.747 1.00 41.31 C ATOM 1778 O THR A 119 40.698 -15.237 2.771 1.00 44.13 O ATOM 1779 CB THR A 119 38.760 -17.462 3.907 1.00 11.34 C ATOM 1780 OG1 THR A 119 37.532 -18.148 3.638 1.00 72.04 O ATOM 1781 CG2 THR A 119 39.192 -17.729 5.341 1.00 25.02 C ATOM 0 H THR A 119 38.554 -15.869 1.564 1.00 11.45 H new ATOM 0 HA THR A 119 37.927 -15.539 4.421 1.00 25.02 H new ATOM 0 HB THR A 119 39.536 -17.830 3.236 1.00 11.34 H new ATOM 0 HG1 THR A 119 37.652 -19.108 3.797 1.00 72.04 H new ATOM 0 HG21 THR A 119 39.308 -18.802 5.492 1.00 25.02 H new ATOM 0 HG22 THR A 119 40.142 -17.230 5.534 1.00 25.02 H new ATOM 0 HG23 THR A 119 38.436 -17.346 6.026 1.00 25.02 H new ATOM 1789 N ALA A 120 40.263 -14.739 4.922 1.00 13.22 N ATOM 1790 CA ALA A 120 41.537 -14.065 5.138 1.00 52.22 C ATOM 1791 C ALA A 120 42.608 -15.049 5.599 1.00 55.15 C ATOM 1792 O ALA A 120 42.715 -15.353 6.787 1.00 65.21 O ATOM 1793 CB ALA A 120 41.375 -12.943 6.154 1.00 42.50 C ATOM 0 H ALA A 120 39.653 -14.759 5.739 1.00 13.22 H new ATOM 0 HA ALA A 120 41.859 -13.637 4.189 1.00 52.22 H new ATOM 0 HB1 ALA A 120 42.334 -12.448 6.306 1.00 42.50 H new ATOM 0 HB2 ALA A 120 40.648 -12.220 5.785 1.00 42.50 H new ATOM 0 HB3 ALA A 120 41.026 -13.357 7.100 1.00 42.50 H new ATOM 1799 N VAL A 121 43.397 -15.543 4.652 1.00 4.12 N ATOM 1800 CA VAL A 121 44.460 -16.492 4.960 1.00 43.11 C ATOM 1801 C VAL A 121 45.831 -15.831 4.872 1.00 30.44 C ATOM 1802 O VAL A 121 46.117 -15.096 3.926 1.00 24.04 O ATOM 1803 CB VAL A 121 44.425 -17.704 4.010 1.00 72.25 C ATOM 1804 CG1 VAL A 121 44.738 -17.274 2.585 1.00 1.23 C ATOM 1805 CG2 VAL A 121 45.397 -18.776 4.477 1.00 33.31 C ATOM 0 H VAL A 121 43.321 -15.302 3.664 1.00 4.12 H new ATOM 0 HA VAL A 121 44.290 -16.835 5.981 1.00 43.11 H new ATOM 0 HB VAL A 121 43.420 -18.126 4.025 1.00 72.25 H new ATOM 0 HG11 VAL A 121 44.709 -18.143 1.928 1.00 1.23 H new ATOM 0 HG12 VAL A 121 43.999 -16.544 2.254 1.00 1.23 H new ATOM 0 HG13 VAL A 121 45.731 -16.826 2.550 1.00 1.23 H new ATOM 0 HG21 VAL A 121 45.359 -19.624 3.794 1.00 33.31 H new ATOM 0 HG22 VAL A 121 46.408 -18.369 4.493 1.00 33.31 H new ATOM 0 HG23 VAL A 121 45.122 -19.105 5.479 1.00 33.31 H new ATOM 1815 N VAL A 122 46.676 -16.097 5.863 1.00 21.23 N ATOM 1816 CA VAL A 122 48.018 -15.528 5.897 1.00 51.40 C ATOM 1817 C VAL A 122 47.978 -14.014 5.722 1.00 21.04 C ATOM 1818 O VAL A 122 48.314 -13.491 4.659 1.00 52.34 O ATOM 1819 CB VAL A 122 48.913 -16.138 4.801 1.00 74.35 C ATOM 1820 CG1 VAL A 122 50.330 -15.594 4.906 1.00 52.43 C ATOM 1821 CG2 VAL A 122 48.908 -17.656 4.893 1.00 10.13 C ATOM 0 H VAL A 122 46.455 -16.703 6.653 1.00 21.23 H new ATOM 0 HA VAL A 122 48.439 -15.766 6.874 1.00 51.40 H new ATOM 0 HB VAL A 122 48.511 -15.855 3.828 1.00 74.35 H new ATOM 0 HG11 VAL A 122 50.948 -16.036 4.124 1.00 52.43 H new ATOM 0 HG12 VAL A 122 50.314 -14.511 4.787 1.00 52.43 H new ATOM 0 HG13 VAL A 122 50.745 -15.845 5.882 1.00 52.43 H new ATOM 0 HG21 VAL A 122 49.545 -18.070 4.112 1.00 10.13 H new ATOM 0 HG22 VAL A 122 49.285 -17.963 5.869 1.00 10.13 H new ATOM 0 HG23 VAL A 122 47.890 -18.025 4.765 1.00 10.13 H new ATOM 1831 N THR A 123 47.565 -13.313 6.774 1.00 54.15 N ATOM 1832 CA THR A 123 47.482 -11.858 6.737 1.00 30.41 C ATOM 1833 C THR A 123 48.520 -11.225 7.655 1.00 22.22 C ATOM 1834 O THR A 123 49.044 -10.149 7.365 1.00 52.11 O ATOM 1835 CB THR A 123 46.081 -11.366 7.149 1.00 20.34 C ATOM 1836 OG1 THR A 123 45.589 -12.149 8.243 1.00 33.22 O ATOM 1837 CG2 THR A 123 45.112 -11.454 5.980 1.00 21.05 C ATOM 0 H THR A 123 47.283 -13.729 7.661 1.00 54.15 H new ATOM 0 HA THR A 123 47.678 -11.556 5.708 1.00 30.41 H new ATOM 0 HB THR A 123 46.162 -10.323 7.456 1.00 20.34 H new ATOM 0 HG1 THR A 123 44.699 -11.829 8.500 1.00 33.22 H new ATOM 0 HG21 THR A 123 44.130 -11.102 6.294 1.00 21.05 H new ATOM 0 HG22 THR A 123 45.474 -10.835 5.160 1.00 21.05 H new ATOM 0 HG23 THR A 123 45.037 -12.489 5.647 1.00 21.05 H new ATOM 1845 N ASN A 124 48.814 -11.898 8.763 1.00 75.41 N ATOM 1846 CA ASN A 124 49.791 -11.398 9.724 1.00 53.22 C ATOM 1847 C ASN A 124 50.037 -12.420 10.831 1.00 22.31 C ATOM 1848 O ASN A 124 49.194 -13.269 11.124 1.00 32.20 O ATOM 1849 CB ASN A 124 49.313 -10.077 10.330 1.00 13.12 C ATOM 1850 CG ASN A 124 48.425 -10.286 11.541 1.00 63.22 C ATOM 1851 OD1 ASN A 124 47.339 -10.857 11.438 1.00 54.42 O ATOM 1852 ND2 ASN A 124 48.884 -9.822 12.698 1.00 64.04 N ATOM 0 H ASN A 124 48.390 -12.790 9.018 1.00 75.41 H new ATOM 0 HA ASN A 124 50.729 -11.228 9.196 1.00 53.22 H new ATOM 0 HB2 ASN A 124 50.177 -9.477 10.615 1.00 13.12 H new ATOM 0 HB3 ASN A 124 48.767 -9.511 9.576 1.00 13.12 H new ATOM 0 HD21 ASN A 124 48.330 -9.933 13.548 1.00 64.04 H new ATOM 0 HD22 ASN A 124 49.790 -9.355 12.737 1.00 64.04 H new ATOM 1859 N PRO A 125 51.218 -12.338 11.460 1.00 24.52 N ATOM 1860 CA PRO A 125 51.601 -13.246 12.545 1.00 24.42 C ATOM 1861 C PRO A 125 50.796 -13.002 13.817 1.00 35.53 C ATOM 1862 O PRO A 125 49.927 -12.130 13.857 1.00 10.22 O ATOM 1863 CB PRO A 125 53.078 -12.917 12.777 1.00 72.35 C ATOM 1864 CG PRO A 125 53.233 -11.512 12.307 1.00 62.25 C ATOM 1865 CD PRO A 125 52.270 -11.351 11.163 1.00 3.25 C ATOM 0 HA PRO A 125 51.417 -14.289 12.288 1.00 24.42 H new ATOM 0 HB2 PRO A 125 53.344 -13.014 13.830 1.00 72.35 H new ATOM 0 HB3 PRO A 125 53.726 -13.594 12.221 1.00 72.35 H new ATOM 0 HG2 PRO A 125 53.011 -10.806 13.107 1.00 62.25 H new ATOM 0 HG3 PRO A 125 54.257 -11.318 11.986 1.00 62.25 H new ATOM 0 HD2 PRO A 125 51.869 -10.339 11.115 1.00 3.25 H new ATOM 0 HD3 PRO A 125 52.748 -11.550 10.204 1.00 3.25 H new ATOM 1873 N LYS A 126 51.088 -13.779 14.854 1.00 63.33 N ATOM 1874 CA LYS A 126 50.393 -13.648 16.129 1.00 0.11 C ATOM 1875 C LYS A 126 50.418 -12.203 16.616 1.00 52.52 C ATOM 1876 O LYS A 126 49.506 -11.758 17.314 1.00 75.10 O ATOM 1877 CB LYS A 126 51.030 -14.561 17.179 1.00 43.13 C ATOM 1878 CG LYS A 126 52.360 -14.050 17.703 1.00 31.53 C ATOM 1879 CD LYS A 126 53.457 -14.174 16.659 1.00 32.21 C ATOM 1880 CE LYS A 126 54.819 -14.381 17.304 1.00 52.15 C ATOM 1881 NZ LYS A 126 55.173 -13.265 18.223 1.00 22.22 N1+ ATOM 0 H LYS A 126 51.802 -14.507 14.837 1.00 63.33 H new ATOM 0 HA LYS A 126 49.355 -13.946 15.980 1.00 0.11 H new ATOM 0 HB2 LYS A 126 50.340 -14.676 18.015 1.00 43.13 H new ATOM 0 HB3 LYS A 126 51.175 -15.551 16.747 1.00 43.13 H new ATOM 0 HG2 LYS A 126 52.257 -13.007 18.002 1.00 31.53 H new ATOM 0 HG3 LYS A 126 52.640 -14.611 18.595 1.00 31.53 H new ATOM 0 HD2 LYS A 126 53.237 -15.010 15.995 1.00 32.21 H new ATOM 0 HD3 LYS A 126 53.478 -13.275 16.043 1.00 32.21 H new ATOM 0 HE2 LYS A 126 54.820 -15.321 17.857 1.00 52.15 H new ATOM 0 HE3 LYS A 126 55.579 -14.467 16.528 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 56.142 -13.400 18.577 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 55.114 -12.362 17.711 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 54.511 -13.252 19.025 1.00 22.22 H new ATOM 1895 N GLU A 127 51.465 -11.475 16.243 1.00 3.11 N ATOM 1896 CA GLU A 127 51.606 -10.080 16.642 1.00 3.11 C ATOM 1897 C GLU A 127 51.046 -9.148 15.571 1.00 14.11 C ATOM 1898 O GLU A 127 50.420 -8.135 15.882 1.00 23.13 O ATOM 1899 CB GLU A 127 53.077 -9.747 16.902 1.00 11.02 C ATOM 1900 CG GLU A 127 53.542 -10.103 18.306 1.00 14.01 C ATOM 1901 CD GLU A 127 52.753 -9.380 19.381 1.00 3.05 C ATOM 1902 OE1 GLU A 127 53.122 -8.235 19.717 1.00 25.34 O1- ATOM 1903 OE2 GLU A 127 51.771 -9.960 19.887 1.00 15.22 O ATOM 0 H GLU A 127 52.228 -11.828 15.665 1.00 3.11 H new ATOM 0 HA GLU A 127 51.038 -9.933 17.561 1.00 3.11 H new ATOM 0 HB2 GLU A 127 53.695 -10.278 16.178 1.00 11.02 H new ATOM 0 HB3 GLU A 127 53.235 -8.682 16.735 1.00 11.02 H new ATOM 0 HG2 GLU A 127 53.449 -11.179 18.454 1.00 14.01 H new ATOM 0 HG3 GLU A 127 54.599 -9.857 18.408 1.00 14.01 H new TER 1910 GLU A 127