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 76 LYS NZ :NH3+ 146:sc= 0.826 (180deg=0) USER MOD Set 1.2: A 77 SER OG : rot -175:sc= 0.644 USER MOD Set 2.1: A 8 SER OG : rot 126:sc= 0.707 USER MOD Set 2.2: A 105 TYR OH : rot -21:sc= 1.94 USER MOD Single : A 1 GLY N :NH3+ 151:sc= 0 (180deg=-0.292) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0117) USER MOD Single : A 10 CYS SG : rot -160:sc= -2.13! USER MOD Single : A 13 MET CE :methyl -134:sc= -2.03 (180deg=-5.13!) USER MOD Single : A 15 LYS NZ :NH3+ -159:sc= -0.797 (180deg=-1.25) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0722 USER MOD Single : A 27 ASN : amide:sc= -3.36 X(o=-3.4,f=-3.8!) USER MOD Single : A 31 HIS : no HD1:sc= -0.0985 K(o=-0.098,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 107:sc= -0.106 USER MOD Single : A 50 SER OG : rot 180:sc=-0.000486 USER MOD Single : A 52 SER OG : rot -39:sc= 0.378 USER MOD Single : A 56 HIS : no HD1:sc= -0.165 K(o=-0.16,f=-0.87) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -69:sc= 0.0947 USER MOD Single : A 69 TYR OH : rot -62:sc= -0.623 USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= 0.853 (180deg=0.272) USER MOD Single : A 75 THR OG1 : rot 141:sc= 2.06 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 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 168:sc= -3.34 (180deg=-3.9!) USER MOD Single : A 88 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.027) USER MOD Single : A 90 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.081) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0725 K(o=-0.072,f=-1.6!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 25:sc= 0.136 USER MOD Single : A 110 MET CE :methyl -123:sc= -1.03 (180deg=-7.93!) USER MOD Single : A 112 SER OG : rot 180:sc= 0.0871 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 57:sc= 0.324 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.582 K(o=-0.58,f=-3!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.270 19.683 -8.054 1.00 61.14 N ATOM 2 CA GLY A 1 11.962 18.280 -7.853 1.00 32.12 C ATOM 3 C GLY A 1 12.178 17.455 -9.107 1.00 34.20 C ATOM 4 O GLY A 1 11.233 17.093 -9.808 1.00 34.12 O ATOM 0 H1 GLY A 1 11.686 20.261 -7.416 1.00 61.14 H new ATOM 0 H2 GLY A 1 13.276 19.850 -7.850 1.00 61.14 H new ATOM 0 H3 GLY A 1 12.069 19.945 -9.040 1.00 61.14 H new ATOM 0 HA2 GLY A 1 12.585 17.886 -7.050 1.00 32.12 H new ATOM 0 HA3 GLY A 1 10.926 18.181 -7.530 1.00 32.12 H new ATOM 8 N PRO A 2 13.449 17.146 -9.405 1.00 40.13 N ATOM 9 CA PRO A 2 13.815 16.356 -10.583 1.00 12.23 C ATOM 10 C PRO A 2 13.387 14.898 -10.460 1.00 60.11 C ATOM 11 O PRO A 2 12.673 14.525 -9.529 1.00 13.32 O ATOM 12 CB PRO A 2 15.342 16.463 -10.622 1.00 65.30 C ATOM 13 CG PRO A 2 15.738 16.728 -9.210 1.00 53.50 C ATOM 14 CD PRO A 2 14.625 17.544 -8.613 1.00 2.22 C ATOM 0 HA PRO A 2 13.325 16.721 -11.486 1.00 12.23 H new ATOM 0 HB2 PRO A 2 15.794 15.544 -10.994 1.00 65.30 H new ATOM 0 HB3 PRO A 2 15.666 17.268 -11.282 1.00 65.30 H new ATOM 0 HG2 PRO A 2 15.876 15.796 -8.662 1.00 53.50 H new ATOM 0 HG3 PRO A 2 16.684 17.267 -9.165 1.00 53.50 H new ATOM 0 HD2 PRO A 2 14.489 17.325 -7.554 1.00 2.22 H new ATOM 0 HD3 PRO A 2 14.822 18.613 -8.695 1.00 2.22 H new ATOM 22 N THR A 3 13.827 14.074 -11.406 1.00 14.22 N ATOM 23 CA THR A 3 13.489 12.657 -11.405 1.00 30.12 C ATOM 24 C THR A 3 13.823 12.013 -10.063 1.00 52.42 C ATOM 25 O THR A 3 14.847 12.321 -9.455 1.00 64.13 O ATOM 26 CB THR A 3 14.230 11.899 -12.522 1.00 60.14 C ATOM 27 OG1 THR A 3 15.627 11.821 -12.218 1.00 65.23 O ATOM 28 CG2 THR A 3 14.036 12.590 -13.864 1.00 54.24 C ATOM 0 H THR A 3 14.419 14.365 -12.184 1.00 14.22 H new ATOM 0 HA THR A 3 12.416 12.590 -11.582 1.00 30.12 H new ATOM 0 HB THR A 3 13.816 10.893 -12.585 1.00 60.14 H new ATOM 0 HG1 THR A 3 16.091 11.336 -12.932 1.00 65.23 H new ATOM 0 HG21 THR A 3 14.568 12.037 -14.638 1.00 54.24 H new ATOM 0 HG22 THR A 3 12.974 12.622 -14.106 1.00 54.24 H new ATOM 0 HG23 THR A 3 14.427 13.606 -13.810 1.00 54.24 H new ATOM 36 N GLY A 4 12.953 11.117 -9.608 1.00 41.43 N ATOM 37 CA GLY A 4 13.174 10.445 -8.341 1.00 44.14 C ATOM 38 C GLY A 4 12.343 9.185 -8.200 1.00 45.21 C ATOM 39 O GLY A 4 12.453 8.265 -9.011 1.00 55.11 O ATOM 0 H GLY A 4 12.099 10.844 -10.094 1.00 41.43 H new ATOM 0 HA2 GLY A 4 14.230 10.192 -8.247 1.00 44.14 H new ATOM 0 HA3 GLY A 4 12.935 11.127 -7.525 1.00 44.14 H new ATOM 43 N THR A 5 11.509 9.141 -7.166 1.00 31.41 N ATOM 44 CA THR A 5 10.658 7.983 -6.920 1.00 22.34 C ATOM 45 C THR A 5 9.373 8.388 -6.206 1.00 31.32 C ATOM 46 O THR A 5 9.370 9.303 -5.384 1.00 14.22 O ATOM 47 CB THR A 5 11.387 6.919 -6.078 1.00 73.45 C ATOM 48 OG1 THR A 5 12.084 7.544 -4.995 1.00 5.02 O ATOM 49 CG2 THR A 5 12.369 6.133 -6.932 1.00 64.33 C ATOM 0 H THR A 5 11.405 9.894 -6.485 1.00 31.41 H new ATOM 0 HA THR A 5 10.412 7.558 -7.893 1.00 22.34 H new ATOM 0 HB THR A 5 10.642 6.230 -5.681 1.00 73.45 H new ATOM 0 HG1 THR A 5 12.543 6.860 -4.464 1.00 5.02 H new ATOM 0 HG21 THR A 5 12.872 5.388 -6.316 1.00 64.33 H new ATOM 0 HG22 THR A 5 11.832 5.634 -7.739 1.00 64.33 H new ATOM 0 HG23 THR A 5 13.109 6.813 -7.355 1.00 64.33 H new ATOM 57 N GLY A 6 8.282 7.697 -6.523 1.00 71.40 N ATOM 58 CA GLY A 6 7.006 7.999 -5.903 1.00 40.22 C ATOM 59 C GLY A 6 6.532 6.891 -4.983 1.00 10.15 C ATOM 60 O GLY A 6 5.331 6.725 -4.770 1.00 53.20 O ATOM 0 H GLY A 6 8.260 6.933 -7.199 1.00 71.40 H new ATOM 0 HA2 GLY A 6 7.091 8.926 -5.336 1.00 40.22 H new ATOM 0 HA3 GLY A 6 6.259 8.167 -6.679 1.00 40.22 H new ATOM 64 N GLU A 7 7.476 6.129 -4.441 1.00 40.40 N ATOM 65 CA GLU A 7 7.147 5.030 -3.541 1.00 12.15 C ATOM 66 C GLU A 7 7.589 5.341 -2.115 1.00 51.21 C ATOM 67 O GLU A 7 7.360 4.554 -1.196 1.00 21.41 O ATOM 68 CB GLU A 7 7.807 3.735 -4.020 1.00 43.22 C ATOM 69 CG GLU A 7 9.259 3.909 -4.434 1.00 35.11 C ATOM 70 CD GLU A 7 9.977 2.586 -4.614 1.00 70.21 C ATOM 71 OE1 GLU A 7 9.334 1.620 -5.074 1.00 64.44 O ATOM 72 OE2 GLU A 7 11.181 2.515 -4.293 1.00 72.12 O1- ATOM 0 H GLU A 7 8.474 6.252 -4.609 1.00 40.40 H new ATOM 0 HA GLU A 7 6.064 4.903 -3.547 1.00 12.15 H new ATOM 0 HB2 GLU A 7 7.751 2.993 -3.224 1.00 43.22 H new ATOM 0 HB3 GLU A 7 7.242 3.340 -4.864 1.00 43.22 H new ATOM 0 HG2 GLU A 7 9.302 4.471 -5.367 1.00 35.11 H new ATOM 0 HG3 GLU A 7 9.779 4.501 -3.681 1.00 35.11 H new ATOM 79 N SER A 8 8.226 6.495 -1.938 1.00 30.32 N ATOM 80 CA SER A 8 8.705 6.909 -0.624 1.00 50.54 C ATOM 81 C SER A 8 8.501 8.407 -0.420 1.00 74.54 C ATOM 82 O SER A 8 7.948 9.094 -1.280 1.00 32.03 O ATOM 83 CB SER A 8 10.185 6.559 -0.464 1.00 2.22 C ATOM 84 OG SER A 8 10.390 5.159 -0.549 1.00 41.42 O ATOM 0 H SER A 8 8.422 7.159 -2.687 1.00 30.32 H new ATOM 0 HA SER A 8 8.129 6.374 0.131 1.00 50.54 H new ATOM 0 HB2 SER A 8 10.767 7.062 -1.236 1.00 2.22 H new ATOM 0 HB3 SER A 8 10.547 6.925 0.497 1.00 2.22 H new ATOM 0 HG SER A 8 11.058 4.968 -1.240 1.00 41.42 H new ATOM 90 N LYS A 9 8.951 8.908 0.725 1.00 25.14 N ATOM 91 CA LYS A 9 8.820 10.325 1.045 1.00 4.14 C ATOM 92 C LYS A 9 10.168 11.032 0.944 1.00 50.55 C ATOM 93 O LYS A 9 10.381 11.855 0.053 1.00 2.11 O ATOM 94 CB LYS A 9 8.244 10.500 2.453 1.00 2.34 C ATOM 95 CG LYS A 9 7.033 9.626 2.727 1.00 10.32 C ATOM 96 CD LYS A 9 7.428 8.320 3.396 1.00 40.34 C ATOM 97 CE LYS A 9 6.481 7.191 3.017 1.00 14.34 C ATOM 98 NZ LYS A 9 5.091 7.455 3.482 1.00 60.34 N1+ ATOM 0 H LYS A 9 9.410 8.354 1.448 1.00 25.14 H new ATOM 0 HA LYS A 9 8.139 10.774 0.322 1.00 4.14 H new ATOM 0 HB2 LYS A 9 9.019 10.272 3.185 1.00 2.34 H new ATOM 0 HB3 LYS A 9 7.968 11.545 2.596 1.00 2.34 H new ATOM 0 HG2 LYS A 9 6.331 10.164 3.364 1.00 10.32 H new ATOM 0 HG3 LYS A 9 6.516 9.415 1.791 1.00 10.32 H new ATOM 0 HD2 LYS A 9 8.445 8.055 3.108 1.00 40.34 H new ATOM 0 HD3 LYS A 9 7.427 8.449 4.478 1.00 40.34 H new ATOM 0 HE2 LYS A 9 6.484 7.062 1.935 1.00 14.34 H new ATOM 0 HE3 LYS A 9 6.838 6.257 3.450 1.00 14.34 H new ATOM 0 HZ1 LYS A 9 4.491 6.634 3.265 1.00 60.34 H new ATOM 0 HZ2 LYS A 9 5.094 7.620 4.509 1.00 60.34 H new ATOM 0 HZ3 LYS A 9 4.717 8.296 2.997 1.00 60.34 H new ATOM 112 N CYS A 10 11.072 10.705 1.860 1.00 54.34 N ATOM 113 CA CYS A 10 12.399 11.310 1.873 1.00 63.03 C ATOM 114 C CYS A 10 13.216 10.853 0.668 1.00 10.52 C ATOM 115 O CYS A 10 12.973 9.797 0.086 1.00 12.21 O ATOM 116 CB CYS A 10 13.133 10.953 3.167 1.00 2.32 C ATOM 117 SG CYS A 10 12.479 11.776 4.638 1.00 4.01 S ATOM 0 H CYS A 10 10.911 10.025 2.603 1.00 54.34 H new ATOM 0 HA CYS A 10 12.279 12.392 1.819 1.00 63.03 H new ATOM 0 HB2 CYS A 10 13.083 9.874 3.315 1.00 2.32 H new ATOM 0 HB3 CYS A 10 14.186 11.211 3.058 1.00 2.32 H new ATOM 0 HG CYS A 10 13.377 11.762 5.578 1.00 4.01 H new ATOM 123 N PRO A 11 14.210 11.668 0.284 1.00 53.44 N ATOM 124 CA PRO A 11 15.083 11.369 -0.856 1.00 54.45 C ATOM 125 C PRO A 11 16.019 10.199 -0.578 1.00 45.03 C ATOM 126 O PRO A 11 16.301 9.392 -1.464 1.00 23.34 O ATOM 127 CB PRO A 11 15.882 12.662 -1.038 1.00 72.55 C ATOM 128 CG PRO A 11 15.878 13.303 0.306 1.00 3.34 C ATOM 129 CD PRO A 11 14.559 12.944 0.932 1.00 61.21 C ATOM 0 HA PRO A 11 14.515 11.074 -1.739 1.00 54.45 H new ATOM 0 HB2 PRO A 11 16.898 12.455 -1.375 1.00 72.55 H new ATOM 0 HB3 PRO A 11 15.423 13.309 -1.786 1.00 72.55 H new ATOM 0 HG2 PRO A 11 16.709 12.943 0.913 1.00 3.34 H new ATOM 0 HG3 PRO A 11 15.989 14.384 0.223 1.00 3.34 H new ATOM 0 HD2 PRO A 11 14.644 12.836 2.013 1.00 61.21 H new ATOM 0 HD3 PRO A 11 13.805 13.709 0.746 1.00 61.21 H new ATOM 137 N LEU A 12 16.498 10.111 0.659 1.00 63.12 N ATOM 138 CA LEU A 12 17.402 9.037 1.055 1.00 52.33 C ATOM 139 C LEU A 12 16.879 8.311 2.290 1.00 2.43 C ATOM 140 O LEU A 12 16.422 8.940 3.244 1.00 13.02 O ATOM 141 CB LEU A 12 18.799 9.596 1.331 1.00 40.22 C ATOM 142 CG LEU A 12 19.747 8.681 2.107 1.00 11.33 C ATOM 143 CD1 LEU A 12 20.354 7.636 1.184 1.00 73.42 C ATOM 144 CD2 LEU A 12 20.839 9.496 2.785 1.00 15.23 C ATOM 0 H LEU A 12 16.275 10.771 1.404 1.00 63.12 H new ATOM 0 HA LEU A 12 17.459 8.322 0.234 1.00 52.33 H new ATOM 0 HB2 LEU A 12 19.265 9.843 0.377 1.00 40.22 H new ATOM 0 HB3 LEU A 12 18.692 10.529 1.885 1.00 40.22 H new ATOM 0 HG LEU A 12 19.174 8.166 2.878 1.00 11.33 H new ATOM 0 HD11 LEU A 12 21.026 6.994 1.753 1.00 73.42 H new ATOM 0 HD12 LEU A 12 19.559 7.032 0.746 1.00 73.42 H new ATOM 0 HD13 LEU A 12 20.912 8.132 0.390 1.00 73.42 H new ATOM 0 HD21 LEU A 12 21.504 8.828 3.333 1.00 15.23 H new ATOM 0 HD22 LEU A 12 21.409 10.039 2.031 1.00 15.23 H new ATOM 0 HD23 LEU A 12 20.386 10.206 3.478 1.00 15.23 H new ATOM 156 N MET A 13 16.952 6.984 2.266 1.00 61.20 N ATOM 157 CA MET A 13 16.489 6.173 3.386 1.00 22.34 C ATOM 158 C MET A 13 17.422 4.990 3.622 1.00 2.51 C ATOM 159 O MET A 13 18.017 4.459 2.685 1.00 53.15 O ATOM 160 CB MET A 13 15.067 5.673 3.127 1.00 74.34 C ATOM 161 CG MET A 13 14.956 4.751 1.924 1.00 62.10 C ATOM 162 SD MET A 13 13.655 3.516 2.112 1.00 31.34 S ATOM 163 CE MET A 13 14.332 2.508 3.427 1.00 60.31 C ATOM 0 H MET A 13 17.327 6.448 1.484 1.00 61.20 H new ATOM 0 HA MET A 13 16.490 6.797 4.280 1.00 22.34 H new ATOM 0 HB2 MET A 13 14.709 5.147 4.012 1.00 74.34 H new ATOM 0 HB3 MET A 13 14.411 6.531 2.979 1.00 74.34 H new ATOM 0 HG2 MET A 13 14.760 5.346 1.032 1.00 62.10 H new ATOM 0 HG3 MET A 13 15.910 4.247 1.768 1.00 62.10 H new ATOM 0 HE1 MET A 13 14.228 1.454 3.168 1.00 60.31 H new ATOM 0 HE2 MET A 13 15.387 2.746 3.561 1.00 60.31 H new ATOM 0 HE3 MET A 13 13.794 2.709 4.353 1.00 60.31 H new ATOM 173 N VAL A 14 17.544 4.581 4.882 1.00 21.22 N ATOM 174 CA VAL A 14 18.404 3.460 5.241 1.00 2.34 C ATOM 175 C VAL A 14 17.583 2.210 5.537 1.00 34.21 C ATOM 176 O VAL A 14 16.653 2.242 6.345 1.00 35.53 O ATOM 177 CB VAL A 14 19.275 3.791 6.468 1.00 44.00 C ATOM 178 CG1 VAL A 14 20.132 2.596 6.852 1.00 51.25 C ATOM 179 CG2 VAL A 14 20.141 5.012 6.192 1.00 44.55 C ATOM 0 H VAL A 14 17.058 5.009 5.670 1.00 21.22 H new ATOM 0 HA VAL A 14 19.052 3.271 4.385 1.00 2.34 H new ATOM 0 HB VAL A 14 18.618 4.021 7.307 1.00 44.00 H new ATOM 0 HG11 VAL A 14 20.740 2.849 7.720 1.00 51.25 H new ATOM 0 HG12 VAL A 14 19.489 1.750 7.093 1.00 51.25 H new ATOM 0 HG13 VAL A 14 20.782 2.332 6.018 1.00 51.25 H new ATOM 0 HG21 VAL A 14 20.750 5.232 7.069 1.00 44.55 H new ATOM 0 HG22 VAL A 14 20.791 4.812 5.340 1.00 44.55 H new ATOM 0 HG23 VAL A 14 19.503 5.867 5.969 1.00 44.55 H new ATOM 189 N LYS A 15 17.930 1.110 4.879 1.00 20.03 N ATOM 190 CA LYS A 15 17.228 -0.153 5.072 1.00 34.30 C ATOM 191 C LYS A 15 18.171 -1.225 5.607 1.00 62.02 C ATOM 192 O LYS A 15 19.056 -1.700 4.894 1.00 61.44 O ATOM 193 CB LYS A 15 16.604 -0.619 3.754 1.00 53.00 C ATOM 194 CG LYS A 15 16.019 -2.018 3.820 1.00 15.14 C ATOM 195 CD LYS A 15 14.842 -2.086 4.779 1.00 41.01 C ATOM 196 CE LYS A 15 15.240 -2.709 6.108 1.00 63.11 C ATOM 197 NZ LYS A 15 14.146 -3.541 6.680 1.00 53.54 N1+ ATOM 0 H LYS A 15 18.695 1.067 4.206 1.00 20.03 H new ATOM 0 HA LYS A 15 16.438 0.008 5.805 1.00 34.30 H new ATOM 0 HB2 LYS A 15 15.819 0.081 3.466 1.00 53.00 H new ATOM 0 HB3 LYS A 15 17.362 -0.588 2.972 1.00 53.00 H new ATOM 0 HG2 LYS A 15 15.697 -2.326 2.825 1.00 15.14 H new ATOM 0 HG3 LYS A 15 16.789 -2.721 4.138 1.00 15.14 H new ATOM 0 HD2 LYS A 15 14.452 -1.083 4.949 1.00 41.01 H new ATOM 0 HD3 LYS A 15 14.038 -2.669 4.329 1.00 41.01 H new ATOM 0 HE2 LYS A 15 16.129 -3.324 5.969 1.00 63.11 H new ATOM 0 HE3 LYS A 15 15.504 -1.921 6.814 1.00 63.11 H new ATOM 0 HZ1 LYS A 15 14.294 -3.653 7.703 1.00 53.54 H new ATOM 0 HZ2 LYS A 15 13.231 -3.076 6.511 1.00 53.54 H new ATOM 0 HZ3 LYS A 15 14.148 -4.477 6.226 1.00 53.54 H new ATOM 211 N VAL A 16 17.977 -1.602 6.866 1.00 25.51 N ATOM 212 CA VAL A 16 18.809 -2.621 7.496 1.00 72.30 C ATOM 213 C VAL A 16 17.958 -3.747 8.073 1.00 42.30 C ATOM 214 O VAL A 16 17.115 -3.520 8.942 1.00 53.32 O ATOM 215 CB VAL A 16 19.676 -2.021 8.619 1.00 4.53 C ATOM 216 CG1 VAL A 16 20.518 -3.102 9.278 1.00 11.20 C ATOM 217 CG2 VAL A 16 20.557 -0.907 8.074 1.00 21.20 C ATOM 0 H VAL A 16 17.251 -1.217 7.471 1.00 25.51 H new ATOM 0 HA VAL A 16 19.459 -3.023 6.719 1.00 72.30 H new ATOM 0 HB VAL A 16 19.017 -1.595 9.375 1.00 4.53 H new ATOM 0 HG11 VAL A 16 21.124 -2.660 10.069 1.00 11.20 H new ATOM 0 HG12 VAL A 16 19.864 -3.863 9.704 1.00 11.20 H new ATOM 0 HG13 VAL A 16 21.170 -3.559 8.534 1.00 11.20 H new ATOM 0 HG21 VAL A 16 21.163 -0.494 8.881 1.00 21.20 H new ATOM 0 HG22 VAL A 16 21.210 -1.306 7.298 1.00 21.20 H new ATOM 0 HG23 VAL A 16 19.931 -0.121 7.652 1.00 21.20 H new ATOM 227 N LEU A 17 18.184 -4.961 7.584 1.00 45.53 N ATOM 228 CA LEU A 17 17.438 -6.125 8.052 1.00 34.25 C ATOM 229 C LEU A 17 18.364 -7.319 8.254 1.00 35.30 C ATOM 230 O LEU A 17 19.396 -7.437 7.593 1.00 14.24 O ATOM 231 CB LEU A 17 16.336 -6.482 7.053 1.00 4.15 C ATOM 232 CG LEU A 17 16.766 -7.327 5.853 1.00 21.13 C ATOM 233 CD1 LEU A 17 16.273 -8.759 6.004 1.00 54.51 C ATOM 234 CD2 LEU A 17 16.248 -6.717 4.559 1.00 44.01 C ATOM 0 H LEU A 17 18.877 -5.166 6.864 1.00 45.53 H new ATOM 0 HA LEU A 17 16.984 -5.875 9.011 1.00 34.25 H new ATOM 0 HB2 LEU A 17 15.550 -7.017 7.586 1.00 4.15 H new ATOM 0 HB3 LEU A 17 15.896 -5.556 6.681 1.00 4.15 H new ATOM 0 HG LEU A 17 17.855 -7.341 5.815 1.00 21.13 H new ATOM 0 HD11 LEU A 17 16.588 -9.345 5.141 1.00 54.51 H new ATOM 0 HD12 LEU A 17 16.692 -9.194 6.911 1.00 54.51 H new ATOM 0 HD13 LEU A 17 15.185 -8.764 6.068 1.00 54.51 H new ATOM 0 HD21 LEU A 17 16.563 -7.331 3.715 1.00 44.01 H new ATOM 0 HD22 LEU A 17 15.159 -6.672 4.588 1.00 44.01 H new ATOM 0 HD23 LEU A 17 16.650 -5.710 4.445 1.00 44.01 H new ATOM 246 N ASP A 18 17.987 -8.205 9.170 1.00 35.22 N ATOM 247 CA ASP A 18 18.782 -9.393 9.458 1.00 62.01 C ATOM 248 C ASP A 18 18.525 -10.483 8.422 1.00 31.11 C ATOM 249 O ASP A 18 17.380 -10.856 8.172 1.00 73.51 O ATOM 250 CB ASP A 18 18.463 -9.918 10.858 1.00 12.00 C ATOM 251 CG ASP A 18 19.182 -9.143 11.946 1.00 12.43 C ATOM 252 OD1 ASP A 18 19.279 -7.904 11.824 1.00 43.43 O1- ATOM 253 OD2 ASP A 18 19.648 -9.775 12.917 1.00 41.53 O ATOM 0 H ASP A 18 17.136 -8.123 9.726 1.00 35.22 H new ATOM 0 HA ASP A 18 19.835 -9.115 9.413 1.00 62.01 H new ATOM 0 HB2 ASP A 18 17.388 -9.863 11.027 1.00 12.00 H new ATOM 0 HB3 ASP A 18 18.742 -10.970 10.921 1.00 12.00 H new ATOM 258 N ALA A 19 19.599 -10.985 7.822 1.00 34.14 N ATOM 259 CA ALA A 19 19.490 -12.033 6.814 1.00 74.24 C ATOM 260 C ALA A 19 19.327 -13.404 7.460 1.00 42.11 C ATOM 261 O ALA A 19 19.224 -14.419 6.772 1.00 25.21 O ATOM 262 CB ALA A 19 20.710 -12.019 5.904 1.00 45.22 C ATOM 0 H ALA A 19 20.554 -10.683 8.016 1.00 34.14 H new ATOM 0 HA ALA A 19 18.601 -11.835 6.216 1.00 74.24 H new ATOM 0 HB1 ALA A 19 20.615 -12.806 5.156 1.00 45.22 H new ATOM 0 HB2 ALA A 19 20.781 -11.052 5.406 1.00 45.22 H new ATOM 0 HB3 ALA A 19 21.608 -12.188 6.497 1.00 45.22 H new ATOM 268 N VAL A 20 19.304 -13.427 8.790 1.00 34.04 N ATOM 269 CA VAL A 20 19.153 -14.674 9.530 1.00 21.35 C ATOM 270 C VAL A 20 17.683 -15.045 9.687 1.00 44.04 C ATOM 271 O VAL A 20 17.317 -16.218 9.607 1.00 43.12 O ATOM 272 CB VAL A 20 19.799 -14.579 10.926 1.00 5.35 C ATOM 273 CG1 VAL A 20 19.614 -15.882 11.689 1.00 34.41 C ATOM 274 CG2 VAL A 20 21.273 -14.224 10.807 1.00 3.13 C ATOM 0 H VAL A 20 19.388 -12.596 9.376 1.00 34.04 H new ATOM 0 HA VAL A 20 19.660 -15.448 8.954 1.00 21.35 H new ATOM 0 HB VAL A 20 19.303 -13.786 11.485 1.00 5.35 H new ATOM 0 HG11 VAL A 20 20.076 -15.797 12.672 1.00 34.41 H new ATOM 0 HG12 VAL A 20 18.550 -16.088 11.805 1.00 34.41 H new ATOM 0 HG13 VAL A 20 20.083 -16.697 11.137 1.00 34.41 H new ATOM 0 HG21 VAL A 20 21.714 -14.161 11.802 1.00 3.13 H new ATOM 0 HG22 VAL A 20 21.787 -14.993 10.231 1.00 3.13 H new ATOM 0 HG23 VAL A 20 21.376 -13.263 10.303 1.00 3.13 H new ATOM 284 N ARG A 21 16.844 -14.038 9.910 1.00 13.31 N ATOM 285 CA ARG A 21 15.413 -14.259 10.079 1.00 41.52 C ATOM 286 C ARG A 21 14.622 -13.561 8.976 1.00 40.44 C ATOM 287 O ARG A 21 13.497 -13.951 8.663 1.00 1.41 O ATOM 288 CB ARG A 21 14.955 -13.753 11.448 1.00 42.31 C ATOM 289 CG ARG A 21 15.907 -14.110 12.578 1.00 55.31 C ATOM 290 CD ARG A 21 16.893 -12.984 12.851 1.00 11.13 C ATOM 291 NE ARG A 21 17.843 -13.334 13.904 1.00 51.30 N ATOM 292 CZ ARG A 21 17.571 -13.243 15.200 1.00 13.52 C ATOM 293 NH1 ARG A 21 16.382 -12.817 15.602 1.00 72.23 N1+ ATOM 294 NH2 ARG A 21 18.489 -13.579 16.097 1.00 1.52 N ATOM 0 H ARG A 21 17.131 -13.062 9.978 1.00 13.31 H new ATOM 0 HA ARG A 21 15.226 -15.331 10.015 1.00 41.52 H new ATOM 0 HB2 ARG A 21 14.843 -12.670 11.407 1.00 42.31 H new ATOM 0 HB3 ARG A 21 13.971 -14.167 11.669 1.00 42.31 H new ATOM 0 HG2 ARG A 21 15.337 -14.323 13.482 1.00 55.31 H new ATOM 0 HG3 ARG A 21 16.452 -15.019 12.323 1.00 55.31 H new ATOM 0 HD2 ARG A 21 17.436 -12.748 11.936 1.00 11.13 H new ATOM 0 HD3 ARG A 21 16.347 -12.085 13.139 1.00 11.13 H new ATOM 0 HE ARG A 21 18.767 -13.667 13.628 1.00 51.30 H new ATOM 0 HH11 ARG A 21 15.674 -12.558 14.915 1.00 72.23 H new ATOM 0 HH12 ARG A 21 16.175 -12.748 16.598 1.00 72.23 H new ATOM 0 HH21 ARG A 21 19.405 -13.908 15.791 1.00 1.52 H new ATOM 0 HH22 ARG A 21 18.279 -13.509 17.093 1.00 1.52 H new ATOM 308 N GLY A 22 15.218 -12.526 8.391 1.00 74.32 N ATOM 309 CA GLY A 22 14.554 -11.790 7.330 1.00 71.21 C ATOM 310 C GLY A 22 13.793 -10.586 7.849 1.00 53.11 C ATOM 311 O GLY A 22 13.122 -9.893 7.086 1.00 34.42 O ATOM 0 H GLY A 22 16.148 -12.184 8.633 1.00 74.32 H new ATOM 0 HA2 GLY A 22 15.295 -11.461 6.601 1.00 71.21 H new ATOM 0 HA3 GLY A 22 13.865 -12.454 6.807 1.00 71.21 H new ATOM 315 N SER A 23 13.897 -10.338 9.151 1.00 51.51 N ATOM 316 CA SER A 23 13.209 -9.211 9.771 1.00 3.34 C ATOM 317 C SER A 23 14.135 -8.004 9.882 1.00 32.43 C ATOM 318 O SER A 23 15.357 -8.115 9.790 1.00 43.34 O ATOM 319 CB SER A 23 12.694 -9.603 11.157 1.00 71.44 C ATOM 320 OG SER A 23 13.185 -10.875 11.544 1.00 35.11 O ATOM 0 H SER A 23 14.450 -10.902 9.796 1.00 51.51 H new ATOM 0 HA SER A 23 12.363 -8.940 9.140 1.00 3.34 H new ATOM 0 HB2 SER A 23 13.001 -8.854 11.887 1.00 71.44 H new ATOM 0 HB3 SER A 23 11.604 -9.617 11.153 1.00 71.44 H new ATOM 0 HG SER A 23 12.842 -11.101 12.434 1.00 35.11 H new ATOM 326 N PRO A 24 13.538 -6.819 10.085 1.00 34.11 N ATOM 327 CA PRO A 24 14.289 -5.567 10.214 1.00 75.01 C ATOM 328 C PRO A 24 15.085 -5.499 11.512 1.00 32.44 C ATOM 329 O PRO A 24 14.701 -6.094 12.519 1.00 65.23 O ATOM 330 CB PRO A 24 13.196 -4.496 10.200 1.00 55.43 C ATOM 331 CG PRO A 24 11.975 -5.194 10.690 1.00 2.33 C ATOM 332 CD PRO A 24 12.085 -6.613 10.205 1.00 25.13 C ATOM 0 HA PRO A 24 15.029 -5.452 9.422 1.00 75.01 H new ATOM 0 HB2 PRO A 24 13.457 -3.656 10.844 1.00 55.43 H new ATOM 0 HB3 PRO A 24 13.047 -4.095 9.197 1.00 55.43 H new ATOM 0 HG2 PRO A 24 11.915 -5.157 11.778 1.00 2.33 H new ATOM 0 HG3 PRO A 24 11.073 -4.719 10.304 1.00 2.33 H new ATOM 0 HD2 PRO A 24 11.636 -7.314 10.908 1.00 25.13 H new ATOM 0 HD3 PRO A 24 11.579 -6.752 9.250 1.00 25.13 H new ATOM 340 N ALA A 25 16.195 -4.770 11.482 1.00 41.01 N ATOM 341 CA ALA A 25 17.044 -4.622 12.658 1.00 63.44 C ATOM 342 C ALA A 25 16.728 -3.331 13.405 1.00 30.11 C ATOM 343 O ALA A 25 16.549 -2.277 12.793 1.00 75.14 O ATOM 344 CB ALA A 25 18.512 -4.656 12.257 1.00 64.11 C ATOM 0 H ALA A 25 16.528 -4.272 10.656 1.00 41.01 H new ATOM 0 HA ALA A 25 16.842 -5.457 13.328 1.00 63.44 H new ATOM 0 HB1 ALA A 25 19.134 -4.544 13.145 1.00 64.11 H new ATOM 0 HB2 ALA A 25 18.735 -5.607 11.774 1.00 64.11 H new ATOM 0 HB3 ALA A 25 18.719 -3.840 11.564 1.00 64.11 H new ATOM 350 N ILE A 26 16.660 -3.420 14.729 1.00 43.00 N ATOM 351 CA ILE A 26 16.364 -2.258 15.558 1.00 13.15 C ATOM 352 C ILE A 26 17.619 -1.757 16.268 1.00 11.44 C ATOM 353 O ILE A 26 18.423 -2.548 16.758 1.00 75.40 O ATOM 354 CB ILE A 26 15.286 -2.575 16.609 1.00 42.33 C ATOM 355 CG1 ILE A 26 13.895 -2.258 16.057 1.00 52.34 C ATOM 356 CG2 ILE A 26 15.544 -1.793 17.888 1.00 30.32 C ATOM 357 CD1 ILE A 26 13.488 -0.813 16.236 1.00 11.12 C ATOM 0 H ILE A 26 16.806 -4.284 15.251 1.00 43.00 H new ATOM 0 HA ILE A 26 15.990 -1.481 14.891 1.00 13.15 H new ATOM 0 HB ILE A 26 15.331 -3.639 16.842 1.00 42.33 H new ATOM 0 HG12 ILE A 26 13.869 -2.505 14.996 1.00 52.34 H new ATOM 0 HG13 ILE A 26 13.163 -2.897 16.551 1.00 52.34 H new ATOM 0 HG21 ILE A 26 14.772 -2.029 18.621 1.00 30.32 H new ATOM 0 HG22 ILE A 26 16.521 -2.064 18.289 1.00 30.32 H new ATOM 0 HG23 ILE A 26 15.524 -0.725 17.672 1.00 30.32 H new ATOM 0 HD11 ILE A 26 12.491 -0.662 15.821 1.00 11.12 H new ATOM 0 HD12 ILE A 26 13.481 -0.566 17.298 1.00 11.12 H new ATOM 0 HD13 ILE A 26 14.198 -0.168 15.718 1.00 11.12 H new ATOM 369 N ASN A 27 17.775 -0.439 16.321 1.00 72.15 N ATOM 370 CA ASN A 27 18.929 0.169 16.972 1.00 74.24 C ATOM 371 C ASN A 27 20.223 -0.224 16.263 1.00 65.44 C ATOM 372 O ASN A 27 21.119 -0.813 16.866 1.00 74.45 O ATOM 373 CB ASN A 27 18.992 -0.253 18.442 1.00 42.11 C ATOM 374 CG ASN A 27 17.682 -0.018 19.167 1.00 53.35 C ATOM 375 OD1 ASN A 27 17.262 -0.829 19.993 1.00 33.42 O ATOM 376 ND2 ASN A 27 17.028 1.097 18.861 1.00 65.05 N ATOM 0 H ASN A 27 17.116 0.229 15.921 1.00 72.15 H new ATOM 0 HA ASN A 27 18.818 1.252 16.916 1.00 74.24 H new ATOM 0 HB2 ASN A 27 19.254 -1.309 18.503 1.00 42.11 H new ATOM 0 HB3 ASN A 27 19.786 0.301 18.943 1.00 42.11 H new ATOM 0 HD21 ASN A 27 16.141 1.309 19.317 1.00 65.05 H new ATOM 0 HD22 ASN A 27 17.413 1.741 18.170 1.00 65.05 H new ATOM 383 N VAL A 28 20.311 0.108 14.979 1.00 63.23 N ATOM 384 CA VAL A 28 21.494 -0.208 14.188 1.00 64.00 C ATOM 385 C VAL A 28 22.255 1.057 13.808 1.00 62.33 C ATOM 386 O VAL A 28 21.784 1.859 13.003 1.00 75.42 O ATOM 387 CB VAL A 28 21.123 -0.975 12.905 1.00 51.21 C ATOM 388 CG1 VAL A 28 22.373 -1.315 12.106 1.00 23.21 C ATOM 389 CG2 VAL A 28 20.339 -2.233 13.245 1.00 70.12 C ATOM 0 H VAL A 28 19.577 0.596 14.465 1.00 63.23 H new ATOM 0 HA VAL A 28 22.130 -0.839 14.809 1.00 64.00 H new ATOM 0 HB VAL A 28 20.490 -0.335 12.290 1.00 51.21 H new ATOM 0 HG11 VAL A 28 22.091 -1.857 11.203 1.00 23.21 H new ATOM 0 HG12 VAL A 28 22.890 -0.396 11.831 1.00 23.21 H new ATOM 0 HG13 VAL A 28 23.034 -1.936 12.711 1.00 23.21 H new ATOM 0 HG21 VAL A 28 20.085 -2.763 12.327 1.00 70.12 H new ATOM 0 HG22 VAL A 28 20.945 -2.879 13.881 1.00 70.12 H new ATOM 0 HG23 VAL A 28 19.424 -1.961 13.771 1.00 70.12 H new ATOM 399 N ALA A 29 23.436 1.229 14.393 1.00 51.31 N ATOM 400 CA ALA A 29 24.264 2.396 14.115 1.00 14.44 C ATOM 401 C ALA A 29 24.539 2.530 12.621 1.00 34.01 C ATOM 402 O ALA A 29 24.997 1.585 11.977 1.00 1.50 O ATOM 403 CB ALA A 29 25.571 2.314 14.889 1.00 51.41 C ATOM 0 H ALA A 29 23.841 0.575 15.063 1.00 51.31 H new ATOM 0 HA ALA A 29 23.719 3.283 14.439 1.00 14.44 H new ATOM 0 HB1 ALA A 29 26.179 3.192 14.671 1.00 51.41 H new ATOM 0 HB2 ALA A 29 25.359 2.275 15.958 1.00 51.41 H new ATOM 0 HB3 ALA A 29 26.113 1.416 14.594 1.00 51.41 H new ATOM 409 N VAL A 30 24.259 3.708 12.074 1.00 53.05 N ATOM 410 CA VAL A 30 24.477 3.965 10.655 1.00 30.12 C ATOM 411 C VAL A 30 25.077 5.349 10.434 1.00 13.12 C ATOM 412 O VAL A 30 24.596 6.342 10.980 1.00 14.35 O ATOM 413 CB VAL A 30 23.166 3.853 9.856 1.00 12.13 C ATOM 414 CG1 VAL A 30 23.420 4.090 8.376 1.00 20.24 C ATOM 415 CG2 VAL A 30 22.518 2.494 10.083 1.00 21.10 C ATOM 0 H VAL A 30 23.880 4.501 12.592 1.00 53.05 H new ATOM 0 HA VAL A 30 25.176 3.207 10.300 1.00 30.12 H new ATOM 0 HB VAL A 30 22.479 4.622 10.210 1.00 12.13 H new ATOM 0 HG11 VAL A 30 22.482 4.007 7.828 1.00 20.24 H new ATOM 0 HG12 VAL A 30 23.836 5.087 8.233 1.00 20.24 H new ATOM 0 HG13 VAL A 30 24.125 3.346 8.004 1.00 20.24 H new ATOM 0 HG21 VAL A 30 21.592 2.432 9.511 1.00 21.10 H new ATOM 0 HG22 VAL A 30 23.199 1.707 9.758 1.00 21.10 H new ATOM 0 HG23 VAL A 30 22.298 2.368 11.143 1.00 21.10 H new ATOM 425 N HIS A 31 26.133 5.407 9.627 1.00 64.03 N ATOM 426 CA HIS A 31 26.799 6.671 9.332 1.00 64.42 C ATOM 427 C HIS A 31 26.891 6.897 7.825 1.00 32.44 C ATOM 428 O HIS A 31 27.485 6.097 7.102 1.00 61.22 O ATOM 429 CB HIS A 31 28.199 6.689 9.948 1.00 31.03 C ATOM 430 CG HIS A 31 28.245 6.157 11.347 1.00 51.53 C ATOM 431 ND1 HIS A 31 28.224 4.810 11.640 1.00 72.45 N ATOM 432 CD2 HIS A 31 28.312 6.798 12.536 1.00 62.03 C ATOM 433 CE1 HIS A 31 28.276 4.645 12.950 1.00 20.24 C ATOM 434 NE2 HIS A 31 28.329 5.837 13.517 1.00 41.10 N ATOM 0 H HIS A 31 26.545 4.595 9.167 1.00 64.03 H new ATOM 0 HA HIS A 31 26.208 7.476 9.768 1.00 64.42 H new ATOM 0 HB2 HIS A 31 28.870 6.101 9.322 1.00 31.03 H new ATOM 0 HB3 HIS A 31 28.575 7.712 9.945 1.00 31.03 H new ATOM 0 HD2 HIS A 31 28.346 7.867 12.686 1.00 62.03 H new ATOM 0 HE1 HIS A 31 28.275 3.698 13.469 1.00 20.24 H new ATOM 0 HE2 HIS A 31 28.375 6.015 14.520 1.00 41.10 H new ATOM 442 N VAL A 32 26.298 7.992 7.360 1.00 24.00 N ATOM 443 CA VAL A 32 26.313 8.323 5.940 1.00 4.03 C ATOM 444 C VAL A 32 27.334 9.415 5.641 1.00 11.32 C ATOM 445 O VAL A 32 27.465 10.380 6.394 1.00 31.44 O ATOM 446 CB VAL A 32 24.925 8.787 5.458 1.00 4.31 C ATOM 447 CG1 VAL A 32 24.903 8.920 3.943 1.00 52.25 C ATOM 448 CG2 VAL A 32 23.847 7.824 5.932 1.00 32.45 C ATOM 0 H VAL A 32 25.802 8.664 7.945 1.00 24.00 H new ATOM 0 HA VAL A 32 26.590 7.414 5.406 1.00 4.03 H new ATOM 0 HB VAL A 32 24.719 9.767 5.888 1.00 4.31 H new ATOM 0 HG11 VAL A 32 23.915 9.249 3.621 1.00 52.25 H new ATOM 0 HG12 VAL A 32 25.648 9.652 3.631 1.00 52.25 H new ATOM 0 HG13 VAL A 32 25.130 7.955 3.490 1.00 52.25 H new ATOM 0 HG21 VAL A 32 22.873 8.167 5.583 1.00 32.45 H new ATOM 0 HG22 VAL A 32 24.046 6.830 5.532 1.00 32.45 H new ATOM 0 HG23 VAL A 32 23.848 7.784 7.021 1.00 32.45 H new ATOM 458 N PHE A 33 28.055 9.256 4.536 1.00 51.12 N ATOM 459 CA PHE A 33 29.066 10.229 4.137 1.00 51.45 C ATOM 460 C PHE A 33 28.948 10.558 2.652 1.00 55.55 C ATOM 461 O PHE A 33 28.267 9.857 1.903 1.00 10.22 O ATOM 462 CB PHE A 33 30.467 9.694 4.443 1.00 10.20 C ATOM 463 CG PHE A 33 30.820 9.739 5.901 1.00 4.40 C ATOM 464 CD1 PHE A 33 30.252 8.845 6.794 1.00 34.41 C ATOM 465 CD2 PHE A 33 31.723 10.676 6.381 1.00 65.40 C ATOM 466 CE1 PHE A 33 30.576 8.885 8.137 1.00 11.13 C ATOM 467 CE2 PHE A 33 32.050 10.720 7.722 1.00 73.04 C ATOM 468 CZ PHE A 33 31.476 9.823 8.602 1.00 5.30 C ATOM 0 H PHE A 33 27.958 8.463 3.901 1.00 51.12 H new ATOM 0 HA PHE A 33 28.901 11.143 4.708 1.00 51.45 H new ATOM 0 HB2 PHE A 33 30.539 8.665 4.092 1.00 10.20 H new ATOM 0 HB3 PHE A 33 31.199 10.274 3.882 1.00 10.20 H new ATOM 0 HD1 PHE A 33 29.548 8.108 6.437 1.00 34.41 H new ATOM 0 HD2 PHE A 33 32.176 11.379 5.698 1.00 65.40 H new ATOM 0 HE1 PHE A 33 30.125 8.183 8.823 1.00 11.13 H new ATOM 0 HE2 PHE A 33 32.754 11.455 8.083 1.00 73.04 H new ATOM 0 HZ PHE A 33 31.731 9.855 9.651 1.00 5.30 H new ATOM 478 N ARG A 34 29.613 11.629 2.235 1.00 64.43 N ATOM 479 CA ARG A 34 29.583 12.053 0.840 1.00 65.22 C ATOM 480 C ARG A 34 30.995 12.286 0.311 1.00 15.34 C ATOM 481 O ARG A 34 31.897 12.661 1.059 1.00 10.42 O ATOM 482 CB ARG A 34 28.754 13.331 0.692 1.00 44.03 C ATOM 483 CG ARG A 34 28.562 13.768 -0.751 1.00 42.14 C ATOM 484 CD ARG A 34 29.527 14.882 -1.129 1.00 65.22 C ATOM 485 NE ARG A 34 29.194 15.482 -2.417 1.00 22.33 N ATOM 486 CZ ARG A 34 29.356 14.862 -3.581 1.00 13.23 C ATOM 487 NH1 ARG A 34 29.844 13.630 -3.616 1.00 32.51 N1+ ATOM 488 NH2 ARG A 34 29.028 15.474 -4.711 1.00 1.52 N ATOM 0 H ARG A 34 30.180 12.220 2.843 1.00 64.43 H new ATOM 0 HA ARG A 34 29.122 11.258 0.254 1.00 65.22 H new ATOM 0 HB2 ARG A 34 27.777 13.175 1.149 1.00 44.03 H new ATOM 0 HB3 ARG A 34 29.240 14.135 1.245 1.00 44.03 H new ATOM 0 HG2 ARG A 34 28.711 12.915 -1.413 1.00 42.14 H new ATOM 0 HG3 ARG A 34 27.537 14.108 -0.896 1.00 42.14 H new ATOM 0 HD2 ARG A 34 29.513 15.651 -0.357 1.00 65.22 H new ATOM 0 HD3 ARG A 34 30.542 14.485 -1.166 1.00 65.22 H new ATOM 0 HE ARG A 34 28.816 16.429 -2.424 1.00 22.33 H new ATOM 0 HH11 ARG A 34 30.096 13.156 -2.748 1.00 32.51 H new ATOM 0 HH12 ARG A 34 29.968 13.156 -4.510 1.00 32.51 H new ATOM 0 HH21 ARG A 34 28.651 16.421 -4.687 1.00 1.52 H new ATOM 0 HH22 ARG A 34 29.153 14.997 -5.604 1.00 1.52 H new ATOM 502 N LYS A 35 31.179 12.059 -0.986 1.00 52.41 N ATOM 503 CA LYS A 35 32.480 12.244 -1.618 1.00 13.50 C ATOM 504 C LYS A 35 32.840 13.724 -1.700 1.00 22.12 C ATOM 505 O LYS A 35 32.254 14.472 -2.482 1.00 23.40 O ATOM 506 CB LYS A 35 32.482 11.629 -3.019 1.00 52.13 C ATOM 507 CG LYS A 35 33.565 12.186 -3.926 1.00 14.31 C ATOM 508 CD LYS A 35 34.953 11.893 -3.384 1.00 53.52 C ATOM 509 CE LYS A 35 35.286 10.411 -3.478 1.00 23.31 C ATOM 510 NZ LYS A 35 36.191 10.117 -4.623 1.00 21.52 N1+ ATOM 0 H LYS A 35 30.443 11.747 -1.620 1.00 52.41 H new ATOM 0 HA LYS A 35 33.228 11.740 -1.006 1.00 13.50 H new ATOM 0 HB2 LYS A 35 32.611 10.550 -2.933 1.00 52.13 H new ATOM 0 HB3 LYS A 35 31.510 11.798 -3.482 1.00 52.13 H new ATOM 0 HG2 LYS A 35 33.464 11.754 -4.922 1.00 14.31 H new ATOM 0 HG3 LYS A 35 33.434 13.263 -4.031 1.00 14.31 H new ATOM 0 HD2 LYS A 35 35.692 12.469 -3.941 1.00 53.52 H new ATOM 0 HD3 LYS A 35 35.015 12.216 -2.345 1.00 53.52 H new ATOM 0 HE2 LYS A 35 35.757 10.085 -2.550 1.00 23.31 H new ATOM 0 HE3 LYS A 35 34.365 9.838 -3.587 1.00 23.31 H new ATOM 0 HZ1 LYS A 35 36.394 9.097 -4.652 1.00 21.52 H new ATOM 0 HZ2 LYS A 35 35.732 10.404 -5.511 1.00 21.52 H new ATOM 0 HZ3 LYS A 35 37.080 10.644 -4.507 1.00 21.52 H new ATOM 524 N ALA A 36 33.808 14.140 -0.889 1.00 11.43 N ATOM 525 CA ALA A 36 34.246 15.529 -0.874 1.00 5.53 C ATOM 526 C ALA A 36 35.029 15.872 -2.137 1.00 3.33 C ATOM 527 O ALA A 36 35.564 14.989 -2.806 1.00 43.41 O ATOM 528 CB ALA A 36 35.092 15.802 0.363 1.00 65.22 C ATOM 0 H ALA A 36 34.303 13.534 -0.234 1.00 11.43 H new ATOM 0 HA ALA A 36 33.360 16.163 -0.844 1.00 5.53 H new ATOM 0 HB1 ALA A 36 35.413 16.844 0.362 1.00 65.22 H new ATOM 0 HB2 ALA A 36 34.502 15.605 1.258 1.00 65.22 H new ATOM 0 HB3 ALA A 36 35.968 15.153 0.356 1.00 65.22 H new ATOM 534 N ALA A 37 35.090 17.159 -2.458 1.00 31.41 N ATOM 535 CA ALA A 37 35.808 17.619 -3.641 1.00 53.45 C ATOM 536 C ALA A 37 37.288 17.262 -3.558 1.00 42.42 C ATOM 537 O ALA A 37 37.986 17.228 -4.572 1.00 11.14 O ATOM 538 CB ALA A 37 35.634 19.120 -3.814 1.00 43.21 C ATOM 0 H ALA A 37 34.651 17.903 -1.916 1.00 31.41 H new ATOM 0 HA ALA A 37 35.387 17.113 -4.510 1.00 53.45 H new ATOM 0 HB1 ALA A 37 36.175 19.449 -4.701 1.00 43.21 H new ATOM 0 HB2 ALA A 37 34.575 19.353 -3.928 1.00 43.21 H new ATOM 0 HB3 ALA A 37 36.027 19.635 -2.937 1.00 43.21 H new ATOM 544 N ASP A 38 37.761 16.997 -2.345 1.00 21.45 N ATOM 545 CA ASP A 38 39.158 16.642 -2.129 1.00 71.21 C ATOM 546 C ASP A 38 39.339 15.127 -2.121 1.00 42.43 C ATOM 547 O ASP A 38 40.361 14.617 -1.662 1.00 64.32 O ATOM 548 CB ASP A 38 39.661 17.235 -0.813 1.00 40.43 C ATOM 549 CG ASP A 38 40.271 18.612 -0.993 1.00 61.52 C ATOM 550 OD1 ASP A 38 39.503 19.583 -1.156 1.00 35.52 O ATOM 551 OD2 ASP A 38 41.515 18.718 -0.971 1.00 52.21 O1- ATOM 0 H ASP A 38 37.196 17.022 -1.496 1.00 21.45 H new ATOM 0 HA ASP A 38 39.743 17.056 -2.951 1.00 71.21 H new ATOM 0 HB2 ASP A 38 38.834 17.297 -0.106 1.00 40.43 H new ATOM 0 HB3 ASP A 38 40.403 16.566 -0.377 1.00 40.43 H new ATOM 556 N ASP A 39 38.341 14.415 -2.632 1.00 23.33 N ATOM 557 CA ASP A 39 38.389 12.958 -2.683 1.00 64.41 C ATOM 558 C ASP A 39 38.405 12.366 -1.278 1.00 62.43 C ATOM 559 O ASP A 39 39.097 11.382 -1.013 1.00 42.41 O ATOM 560 CB ASP A 39 39.624 12.494 -3.458 1.00 53.30 C ATOM 561 CG ASP A 39 39.962 13.417 -4.613 1.00 11.54 C ATOM 562 OD1 ASP A 39 39.235 13.388 -5.628 1.00 1.24 O ATOM 563 OD2 ASP A 39 40.953 14.168 -4.502 1.00 73.02 O1- ATOM 0 H ASP A 39 37.489 14.823 -3.017 1.00 23.33 H new ATOM 0 HA ASP A 39 37.494 12.607 -3.196 1.00 64.41 H new ATOM 0 HB2 ASP A 39 40.475 12.438 -2.780 1.00 53.30 H new ATOM 0 HB3 ASP A 39 39.453 11.487 -3.839 1.00 53.30 H new ATOM 568 N THR A 40 37.637 12.971 -0.377 1.00 24.15 N ATOM 569 CA THR A 40 37.563 12.505 1.002 1.00 43.05 C ATOM 570 C THR A 40 36.134 12.132 1.380 1.00 61.51 C ATOM 571 O THR A 40 35.215 12.256 0.571 1.00 34.22 O ATOM 572 CB THR A 40 38.081 13.572 1.984 1.00 44.50 C ATOM 573 OG1 THR A 40 37.095 14.595 2.161 1.00 41.21 O ATOM 574 CG2 THR A 40 39.375 14.189 1.478 1.00 21.33 C ATOM 0 H THR A 40 37.057 13.786 -0.578 1.00 24.15 H new ATOM 0 HA THR A 40 38.197 11.621 1.072 1.00 43.05 H new ATOM 0 HB THR A 40 38.277 13.089 2.941 1.00 44.50 H new ATOM 0 HG1 THR A 40 37.432 15.269 2.788 1.00 41.21 H new ATOM 0 HG21 THR A 40 39.722 14.940 2.188 1.00 21.33 H new ATOM 0 HG22 THR A 40 40.132 13.412 1.373 1.00 21.33 H new ATOM 0 HG23 THR A 40 39.200 14.658 0.510 1.00 21.33 H new ATOM 582 N TRP A 41 35.954 11.679 2.616 1.00 45.03 N ATOM 583 CA TRP A 41 34.634 11.289 3.102 1.00 2.42 C ATOM 584 C TRP A 41 34.089 12.321 4.082 1.00 70.44 C ATOM 585 O TRP A 41 34.552 12.414 5.219 1.00 32.21 O ATOM 586 CB TRP A 41 34.700 9.915 3.771 1.00 70.13 C ATOM 587 CG TRP A 41 34.811 8.783 2.796 1.00 74.41 C ATOM 588 CD1 TRP A 41 35.473 8.793 1.601 1.00 33.11 C ATOM 589 CD2 TRP A 41 34.242 7.476 2.931 1.00 44.32 C ATOM 590 NE1 TRP A 41 35.350 7.571 0.985 1.00 50.54 N ATOM 591 CE2 TRP A 41 34.600 6.746 1.781 1.00 44.12 C ATOM 592 CE3 TRP A 41 33.466 6.852 3.911 1.00 73.52 C ATOM 593 CZ2 TRP A 41 34.207 5.424 1.587 1.00 60.44 C ATOM 594 CZ3 TRP A 41 33.077 5.541 3.718 1.00 61.10 C ATOM 595 CH2 TRP A 41 33.448 4.838 2.563 1.00 75.05 C ATOM 0 H TRP A 41 36.704 11.573 3.299 1.00 45.03 H new ATOM 0 HA TRP A 41 33.960 11.236 2.247 1.00 2.42 H new ATOM 0 HB2 TRP A 41 35.555 9.889 4.446 1.00 70.13 H new ATOM 0 HB3 TRP A 41 33.808 9.773 4.381 1.00 70.13 H new ATOM 0 HD1 TRP A 41 36.014 9.637 1.199 1.00 33.11 H new ATOM 0 HE1 TRP A 41 35.752 7.319 0.082 1.00 50.54 H new ATOM 0 HE3 TRP A 41 33.175 7.386 4.804 1.00 73.52 H new ATOM 0 HZ2 TRP A 41 34.491 4.881 0.698 1.00 60.44 H new ATOM 0 HZ3 TRP A 41 32.477 5.049 4.469 1.00 61.10 H new ATOM 0 HH2 TRP A 41 33.128 3.814 2.441 1.00 75.05 H new ATOM 606 N GLU A 42 33.104 13.093 3.635 1.00 73.10 N ATOM 607 CA GLU A 42 32.498 14.119 4.475 1.00 54.20 C ATOM 608 C GLU A 42 31.238 13.590 5.156 1.00 4.34 C ATOM 609 O GLU A 42 30.555 12.701 4.649 1.00 73.22 O ATOM 610 CB GLU A 42 32.158 15.357 3.643 1.00 31.41 C ATOM 611 CG GLU A 42 33.368 16.210 3.300 1.00 53.13 C ATOM 612 CD GLU A 42 33.599 17.326 4.299 1.00 51.31 C ATOM 613 OE1 GLU A 42 32.604 17.854 4.837 1.00 60.43 O1- ATOM 614 OE2 GLU A 42 34.775 17.670 4.545 1.00 64.44 O ATOM 0 H GLU A 42 32.709 13.028 2.697 1.00 73.10 H new ATOM 0 HA GLU A 42 33.219 14.394 5.244 1.00 54.20 H new ATOM 0 HB2 GLU A 42 31.672 15.042 2.719 1.00 31.41 H new ATOM 0 HB3 GLU A 42 31.438 15.966 4.190 1.00 31.41 H new ATOM 0 HG2 GLU A 42 34.254 15.576 3.258 1.00 53.13 H new ATOM 0 HG3 GLU A 42 33.235 16.639 2.307 1.00 53.13 H new ATOM 621 N PRO A 43 30.924 14.149 6.335 1.00 54.34 N ATOM 622 CA PRO A 43 29.746 13.750 7.111 1.00 24.43 C ATOM 623 C PRO A 43 28.442 14.179 6.448 1.00 42.40 C ATOM 624 O PRO A 43 28.172 15.371 6.301 1.00 63.02 O ATOM 625 CB PRO A 43 29.935 14.480 8.443 1.00 15.11 C ATOM 626 CG PRO A 43 30.784 15.658 8.112 1.00 23.24 C ATOM 627 CD PRO A 43 31.694 15.214 7.000 1.00 63.44 C ATOM 0 HA PRO A 43 29.671 12.667 7.210 1.00 24.43 H new ATOM 0 HB2 PRO A 43 28.978 14.788 8.865 1.00 15.11 H new ATOM 0 HB3 PRO A 43 30.418 13.839 9.181 1.00 15.11 H new ATOM 0 HG2 PRO A 43 30.172 16.505 7.801 1.00 23.24 H new ATOM 0 HG3 PRO A 43 31.358 15.982 8.980 1.00 23.24 H new ATOM 0 HD2 PRO A 43 31.922 16.032 6.316 1.00 63.44 H new ATOM 0 HD3 PRO A 43 32.645 14.844 7.383 1.00 63.44 H new ATOM 635 N PHE A 44 27.635 13.201 6.049 1.00 23.33 N ATOM 636 CA PHE A 44 26.359 13.479 5.401 1.00 30.03 C ATOM 637 C PHE A 44 25.202 13.308 6.382 1.00 11.52 C ATOM 638 O PHE A 44 24.317 14.157 6.468 1.00 21.02 O ATOM 639 CB PHE A 44 26.162 12.554 4.198 1.00 54.34 C ATOM 640 CG PHE A 44 24.913 12.845 3.416 1.00 42.35 C ATOM 641 CD1 PHE A 44 23.684 12.378 3.851 1.00 23.01 C ATOM 642 CD2 PHE A 44 24.969 13.586 2.246 1.00 4.03 C ATOM 643 CE1 PHE A 44 22.531 12.644 3.135 1.00 44.13 C ATOM 644 CE2 PHE A 44 23.820 13.855 1.526 1.00 24.11 C ATOM 645 CZ PHE A 44 22.601 13.383 1.970 1.00 75.12 C ATOM 0 H PHE A 44 27.843 12.209 6.163 1.00 23.33 H new ATOM 0 HA PHE A 44 26.372 14.513 5.058 1.00 30.03 H new ATOM 0 HB2 PHE A 44 27.024 12.643 3.537 1.00 54.34 H new ATOM 0 HB3 PHE A 44 26.131 11.521 4.545 1.00 54.34 H new ATOM 0 HD1 PHE A 44 23.625 11.799 4.761 1.00 23.01 H new ATOM 0 HD2 PHE A 44 25.920 13.957 1.893 1.00 4.03 H new ATOM 0 HE1 PHE A 44 21.579 12.275 3.486 1.00 44.13 H new ATOM 0 HE2 PHE A 44 23.876 14.434 0.616 1.00 24.11 H new ATOM 0 HZ PHE A 44 21.703 13.591 1.407 1.00 75.12 H new ATOM 655 N ALA A 45 25.218 12.202 7.120 1.00 71.23 N ATOM 656 CA ALA A 45 24.173 11.920 8.096 1.00 64.43 C ATOM 657 C ALA A 45 24.588 10.792 9.033 1.00 24.31 C ATOM 658 O ALA A 45 25.647 10.187 8.862 1.00 5.31 O ATOM 659 CB ALA A 45 22.872 11.569 7.388 1.00 55.21 C ATOM 0 H ALA A 45 25.943 11.487 7.060 1.00 71.23 H new ATOM 0 HA ALA A 45 24.018 12.817 8.696 1.00 64.43 H new ATOM 0 HB1 ALA A 45 22.100 11.361 8.128 1.00 55.21 H new ATOM 0 HB2 ALA A 45 22.560 12.406 6.764 1.00 55.21 H new ATOM 0 HB3 ALA A 45 23.024 10.688 6.764 1.00 55.21 H new ATOM 665 N SER A 46 23.748 10.514 10.025 1.00 61.42 N ATOM 666 CA SER A 46 24.030 9.461 10.994 1.00 20.23 C ATOM 667 C SER A 46 22.829 9.222 11.902 1.00 55.20 C ATOM 668 O SER A 46 22.032 10.127 12.149 1.00 65.33 O ATOM 669 CB SER A 46 25.255 9.828 11.835 1.00 30.24 C ATOM 670 OG SER A 46 25.098 9.398 13.176 1.00 45.23 O ATOM 0 H SER A 46 22.866 11.003 10.179 1.00 61.42 H new ATOM 0 HA SER A 46 24.236 8.542 10.445 1.00 20.23 H new ATOM 0 HB2 SER A 46 26.146 9.371 11.405 1.00 30.24 H new ATOM 0 HB3 SER A 46 25.407 10.907 11.811 1.00 30.24 H new ATOM 0 HG SER A 46 25.894 9.642 13.693 1.00 45.23 H new ATOM 676 N GLY A 47 22.703 7.994 12.397 1.00 22.52 N ATOM 677 CA GLY A 47 21.596 7.656 13.272 1.00 13.24 C ATOM 678 C GLY A 47 21.470 6.163 13.499 1.00 23.24 C ATOM 679 O GLY A 47 22.454 5.428 13.405 1.00 53.34 O ATOM 0 H GLY A 47 23.348 7.227 12.207 1.00 22.52 H new ATOM 0 HA2 GLY A 47 21.730 8.156 14.231 1.00 13.24 H new ATOM 0 HA3 GLY A 47 20.669 8.034 12.842 1.00 13.24 H new ATOM 683 N LYS A 48 20.258 5.711 13.800 1.00 71.53 N ATOM 684 CA LYS A 48 20.006 4.296 14.042 1.00 65.33 C ATOM 685 C LYS A 48 18.747 3.835 13.314 1.00 1.25 C ATOM 686 O LYS A 48 17.709 4.497 13.366 1.00 42.23 O ATOM 687 CB LYS A 48 19.868 4.030 15.542 1.00 75.34 C ATOM 688 CG LYS A 48 21.167 3.612 16.209 1.00 22.40 C ATOM 689 CD LYS A 48 20.980 3.381 17.699 1.00 43.34 C ATOM 690 CE LYS A 48 20.616 4.670 18.422 1.00 30.21 C ATOM 691 NZ LYS A 48 21.207 4.726 19.787 1.00 35.43 N1+ ATOM 0 H LYS A 48 19.433 6.305 13.882 1.00 71.53 H new ATOM 0 HA LYS A 48 20.854 3.731 13.656 1.00 65.33 H new ATOM 0 HB2 LYS A 48 19.493 4.930 16.029 1.00 75.34 H new ATOM 0 HB3 LYS A 48 19.123 3.250 15.697 1.00 75.34 H new ATOM 0 HG2 LYS A 48 21.539 2.700 15.743 1.00 22.40 H new ATOM 0 HG3 LYS A 48 21.922 4.382 16.051 1.00 22.40 H new ATOM 0 HD2 LYS A 48 20.197 2.640 17.858 1.00 43.34 H new ATOM 0 HD3 LYS A 48 21.897 2.971 18.123 1.00 43.34 H new ATOM 0 HE2 LYS A 48 20.964 5.523 17.840 1.00 30.21 H new ATOM 0 HE3 LYS A 48 19.531 4.753 18.492 1.00 30.21 H new ATOM 0 HZ1 LYS A 48 20.936 5.619 20.246 1.00 35.43 H new ATOM 0 HZ2 LYS A 48 20.855 3.926 20.351 1.00 35.43 H new ATOM 0 HZ3 LYS A 48 22.243 4.672 19.719 1.00 35.43 H new ATOM 705 N THR A 49 18.843 2.695 12.637 1.00 51.42 N ATOM 706 CA THR A 49 17.712 2.146 11.901 1.00 70.12 C ATOM 707 C THR A 49 16.512 1.930 12.815 1.00 10.11 C ATOM 708 O THR A 49 16.612 2.086 14.032 1.00 53.44 O ATOM 709 CB THR A 49 18.077 0.810 11.226 1.00 52.42 C ATOM 710 OG1 THR A 49 18.283 -0.200 12.220 1.00 74.22 O ATOM 711 CG2 THR A 49 19.329 0.956 10.376 1.00 34.12 C ATOM 0 H THR A 49 19.693 2.134 12.583 1.00 51.42 H new ATOM 0 HA THR A 49 17.452 2.874 11.133 1.00 70.12 H new ATOM 0 HB THR A 49 17.251 0.518 10.578 1.00 52.42 H new ATOM 0 HG1 THR A 49 17.528 -0.825 12.212 1.00 74.22 H new ATOM 0 HG21 THR A 49 19.566 -0.000 9.910 1.00 34.12 H new ATOM 0 HG22 THR A 49 19.158 1.704 9.602 1.00 34.12 H new ATOM 0 HG23 THR A 49 20.162 1.269 11.006 1.00 34.12 H new ATOM 719 N SER A 50 15.379 1.569 12.223 1.00 34.50 N ATOM 720 CA SER A 50 14.159 1.335 12.984 1.00 20.42 C ATOM 721 C SER A 50 13.565 -0.032 12.654 1.00 73.51 C ATOM 722 O SER A 50 14.045 -0.728 11.759 1.00 35.41 O ATOM 723 CB SER A 50 13.132 2.432 12.696 1.00 43.22 C ATOM 724 OG SER A 50 12.140 2.483 13.706 1.00 64.44 O ATOM 0 H SER A 50 15.281 1.432 11.217 1.00 34.50 H new ATOM 0 HA SER A 50 14.414 1.355 14.044 1.00 20.42 H new ATOM 0 HB2 SER A 50 13.635 3.396 12.628 1.00 43.22 H new ATOM 0 HB3 SER A 50 12.662 2.249 11.730 1.00 43.22 H new ATOM 0 HG SER A 50 11.498 3.193 13.498 1.00 64.44 H new ATOM 730 N GLU A 51 12.520 -0.408 13.382 1.00 30.32 N ATOM 731 CA GLU A 51 11.861 -1.692 13.167 1.00 23.23 C ATOM 732 C GLU A 51 11.133 -1.712 11.826 1.00 40.22 C ATOM 733 O GLU A 51 10.658 -2.757 11.381 1.00 52.42 O ATOM 734 CB GLU A 51 10.874 -1.980 14.301 1.00 74.31 C ATOM 735 CG GLU A 51 9.963 -0.809 14.627 1.00 31.32 C ATOM 736 CD GLU A 51 8.493 -1.165 14.518 1.00 73.14 C ATOM 737 OE1 GLU A 51 8.101 -2.228 15.044 1.00 52.03 O ATOM 738 OE2 GLU A 51 7.735 -0.381 13.908 1.00 65.12 O1- ATOM 0 H GLU A 51 12.111 0.157 14.126 1.00 30.32 H new ATOM 0 HA GLU A 51 12.627 -2.468 13.156 1.00 23.23 H new ATOM 0 HB2 GLU A 51 10.263 -2.840 14.029 1.00 74.31 H new ATOM 0 HB3 GLU A 51 11.432 -2.255 15.196 1.00 74.31 H new ATOM 0 HG2 GLU A 51 10.174 -0.460 15.638 1.00 31.32 H new ATOM 0 HG3 GLU A 51 10.184 0.017 13.951 1.00 31.32 H new ATOM 745 N SER A 52 11.047 -0.548 11.188 1.00 1.54 N ATOM 746 CA SER A 52 10.374 -0.430 9.901 1.00 44.12 C ATOM 747 C SER A 52 11.385 -0.407 8.759 1.00 3.03 C ATOM 748 O SER A 52 11.017 -0.271 7.592 1.00 54.51 O ATOM 749 CB SER A 52 9.517 0.837 9.865 1.00 55.52 C ATOM 750 OG SER A 52 8.654 0.836 8.740 1.00 34.12 O ATOM 0 H SER A 52 11.435 0.326 11.542 1.00 1.54 H new ATOM 0 HA SER A 52 9.730 -1.300 9.774 1.00 44.12 H new ATOM 0 HB2 SER A 52 8.928 0.908 10.779 1.00 55.52 H new ATOM 0 HB3 SER A 52 10.162 1.715 9.832 1.00 55.52 H new ATOM 0 HG SER A 52 9.129 0.472 7.964 1.00 34.12 H new ATOM 756 N GLY A 53 12.662 -0.540 9.104 1.00 14.45 N ATOM 757 CA GLY A 53 13.708 -0.532 8.098 1.00 40.03 C ATOM 758 C GLY A 53 13.903 0.837 7.477 1.00 14.23 C ATOM 759 O GLY A 53 14.400 0.953 6.357 1.00 21.34 O ATOM 0 H GLY A 53 12.991 -0.653 10.063 1.00 14.45 H new ATOM 0 HA2 GLY A 53 14.645 -0.860 8.549 1.00 40.03 H new ATOM 0 HA3 GLY A 53 13.462 -1.251 7.316 1.00 40.03 H new ATOM 763 N GLU A 54 13.511 1.878 8.205 1.00 31.13 N ATOM 764 CA GLU A 54 13.643 3.245 7.717 1.00 52.11 C ATOM 765 C GLU A 54 14.305 4.136 8.765 1.00 0.31 C ATOM 766 O GLU A 54 14.139 3.926 9.968 1.00 51.32 O ATOM 767 CB GLU A 54 12.272 3.812 7.341 1.00 40.52 C ATOM 768 CG GLU A 54 11.314 3.914 8.516 1.00 10.03 C ATOM 769 CD GLU A 54 9.860 3.893 8.085 1.00 73.01 C ATOM 770 OE1 GLU A 54 9.605 3.869 6.862 1.00 75.13 O1- ATOM 771 OE2 GLU A 54 8.978 3.899 8.969 1.00 31.31 O ATOM 0 H GLU A 54 13.099 1.800 9.135 1.00 31.13 H new ATOM 0 HA GLU A 54 14.275 3.226 6.829 1.00 52.11 H new ATOM 0 HB2 GLU A 54 12.405 4.802 6.904 1.00 40.52 H new ATOM 0 HB3 GLU A 54 11.825 3.181 6.572 1.00 40.52 H new ATOM 0 HG2 GLU A 54 11.498 3.088 9.203 1.00 10.03 H new ATOM 0 HG3 GLU A 54 11.514 4.835 9.064 1.00 10.03 H new ATOM 778 N LEU A 55 15.054 5.129 8.301 1.00 5.54 N ATOM 779 CA LEU A 55 15.741 6.052 9.198 1.00 34.15 C ATOM 780 C LEU A 55 15.476 7.499 8.797 1.00 70.31 C ATOM 781 O LEU A 55 15.888 7.945 7.726 1.00 34.41 O ATOM 782 CB LEU A 55 17.246 5.777 9.189 1.00 4.21 C ATOM 783 CG LEU A 55 17.915 5.663 10.560 1.00 2.23 C ATOM 784 CD1 LEU A 55 19.395 5.351 10.407 1.00 50.42 C ATOM 785 CD2 LEU A 55 17.717 6.943 11.358 1.00 14.12 C ATOM 0 H LEU A 55 15.202 5.316 7.309 1.00 5.54 H new ATOM 0 HA LEU A 55 15.355 5.896 10.205 1.00 34.15 H new ATOM 0 HB2 LEU A 55 17.423 4.851 8.642 1.00 4.21 H new ATOM 0 HB3 LEU A 55 17.738 6.575 8.632 1.00 4.21 H new ATOM 0 HG LEU A 55 17.447 4.843 11.105 1.00 2.23 H new ATOM 0 HD11 LEU A 55 19.854 5.274 11.392 1.00 50.42 H new ATOM 0 HD12 LEU A 55 19.515 4.407 9.876 1.00 50.42 H new ATOM 0 HD13 LEU A 55 19.879 6.149 9.843 1.00 50.42 H new ATOM 0 HD21 LEU A 55 18.199 6.844 12.330 1.00 14.12 H new ATOM 0 HD22 LEU A 55 18.158 7.781 10.818 1.00 14.12 H new ATOM 0 HD23 LEU A 55 16.651 7.123 11.498 1.00 14.12 H new ATOM 797 N HIS A 56 14.785 8.232 9.666 1.00 5.15 N ATOM 798 CA HIS A 56 14.467 9.631 9.405 1.00 13.42 C ATOM 799 C HIS A 56 15.443 10.554 10.126 1.00 51.22 C ATOM 800 O HIS A 56 16.077 10.162 11.104 1.00 34.12 O ATOM 801 CB HIS A 56 13.035 9.940 9.844 1.00 32.12 C ATOM 802 CG HIS A 56 12.808 9.764 11.314 1.00 53.30 C ATOM 803 ND1 HIS A 56 13.194 10.697 12.252 1.00 23.11 N ATOM 804 CD2 HIS A 56 12.229 8.754 12.006 1.00 72.43 C ATOM 805 CE1 HIS A 56 12.864 10.268 13.458 1.00 1.32 C ATOM 806 NE2 HIS A 56 12.277 9.092 13.335 1.00 3.25 N ATOM 0 H HIS A 56 14.435 7.879 10.557 1.00 5.15 H new ATOM 0 HA HIS A 56 14.556 9.805 8.333 1.00 13.42 H new ATOM 0 HB2 HIS A 56 12.792 10.966 9.568 1.00 32.12 H new ATOM 0 HB3 HIS A 56 12.349 9.292 9.299 1.00 32.12 H new ATOM 0 HD2 HIS A 56 11.808 7.851 11.589 1.00 72.43 H new ATOM 0 HE1 HIS A 56 13.044 10.791 14.386 1.00 1.32 H new ATOM 0 HE2 HIS A 56 11.917 8.526 14.104 1.00 3.25 H new ATOM 814 N GLY A 57 15.561 11.784 9.633 1.00 61.41 N ATOM 815 CA GLY A 57 16.464 12.744 10.242 1.00 74.22 C ATOM 816 C GLY A 57 17.779 12.856 9.497 1.00 32.15 C ATOM 817 O GLY A 57 18.398 13.921 9.472 1.00 74.24 O ATOM 0 H GLY A 57 15.048 12.132 8.823 1.00 61.41 H new ATOM 0 HA2 GLY A 57 15.983 13.722 10.273 1.00 74.22 H new ATOM 0 HA3 GLY A 57 16.658 12.452 11.274 1.00 74.22 H new ATOM 821 N LEU A 58 18.209 11.756 8.888 1.00 71.24 N ATOM 822 CA LEU A 58 19.460 11.735 8.140 1.00 13.14 C ATOM 823 C LEU A 58 19.384 12.652 6.924 1.00 72.13 C ATOM 824 O LEU A 58 20.405 13.127 6.425 1.00 54.40 O ATOM 825 CB LEU A 58 19.788 10.307 7.697 1.00 52.25 C ATOM 826 CG LEU A 58 20.589 9.463 8.689 1.00 45.12 C ATOM 827 CD1 LEU A 58 19.688 8.952 9.802 1.00 71.41 C ATOM 828 CD2 LEU A 58 21.269 8.304 7.976 1.00 33.14 C ATOM 0 H LEU A 58 17.709 10.867 8.898 1.00 71.24 H new ATOM 0 HA LEU A 58 20.252 12.097 8.795 1.00 13.14 H new ATOM 0 HB2 LEU A 58 18.852 9.790 7.484 1.00 52.25 H new ATOM 0 HB3 LEU A 58 20.345 10.357 6.761 1.00 52.25 H new ATOM 0 HG LEU A 58 21.360 10.092 9.133 1.00 45.12 H new ATOM 0 HD11 LEU A 58 20.274 8.353 10.499 1.00 71.41 H new ATOM 0 HD12 LEU A 58 19.248 9.797 10.331 1.00 71.41 H new ATOM 0 HD13 LEU A 58 18.895 8.338 9.375 1.00 71.41 H new ATOM 0 HD21 LEU A 58 21.834 7.714 8.698 1.00 33.14 H new ATOM 0 HD22 LEU A 58 20.515 7.674 7.504 1.00 33.14 H new ATOM 0 HD23 LEU A 58 21.946 8.692 7.215 1.00 33.14 H new ATOM 840 N THR A 59 18.166 12.900 6.453 1.00 63.43 N ATOM 841 CA THR A 59 17.956 13.762 5.297 1.00 22.11 C ATOM 842 C THR A 59 18.668 15.099 5.470 1.00 64.24 C ATOM 843 O THR A 59 18.681 15.671 6.560 1.00 72.41 O ATOM 844 CB THR A 59 16.456 14.020 5.053 1.00 73.42 C ATOM 845 OG1 THR A 59 15.861 14.590 6.224 1.00 35.32 O ATOM 846 CG2 THR A 59 15.738 12.730 4.690 1.00 74.22 C ATOM 0 H THR A 59 17.310 12.516 6.854 1.00 63.43 H new ATOM 0 HA THR A 59 18.373 13.241 4.435 1.00 22.11 H new ATOM 0 HB THR A 59 16.360 14.717 4.221 1.00 73.42 H new ATOM 0 HG1 THR A 59 14.908 14.753 6.061 1.00 35.32 H new ATOM 0 HG21 THR A 59 14.681 12.937 4.522 1.00 74.22 H new ATOM 0 HG22 THR A 59 16.175 12.314 3.782 1.00 74.22 H new ATOM 0 HG23 THR A 59 15.843 12.014 5.505 1.00 74.22 H new ATOM 854 N THR A 60 19.260 15.593 4.386 1.00 12.24 N ATOM 855 CA THR A 60 19.974 16.862 4.419 1.00 43.44 C ATOM 856 C THR A 60 19.961 17.537 3.051 1.00 34.10 C ATOM 857 O THR A 60 19.687 16.896 2.037 1.00 22.23 O ATOM 858 CB THR A 60 21.435 16.674 4.870 1.00 21.12 C ATOM 859 OG1 THR A 60 22.060 15.649 4.091 1.00 74.34 O ATOM 860 CG2 THR A 60 21.502 16.307 6.346 1.00 41.12 C ATOM 0 H THR A 60 19.258 15.133 3.476 1.00 12.24 H new ATOM 0 HA THR A 60 19.457 17.496 5.140 1.00 43.44 H new ATOM 0 HB THR A 60 21.962 17.616 4.721 1.00 21.12 H new ATOM 0 HG1 THR A 60 21.674 14.779 4.325 1.00 74.34 H new ATOM 0 HG21 THR A 60 22.543 16.179 6.642 1.00 41.12 H new ATOM 0 HG22 THR A 60 21.051 17.102 6.939 1.00 41.12 H new ATOM 0 HG23 THR A 60 20.960 15.376 6.515 1.00 41.12 H new ATOM 868 N GLU A 61 20.257 18.833 3.033 1.00 14.50 N ATOM 869 CA GLU A 61 20.278 19.592 1.788 1.00 24.54 C ATOM 870 C GLU A 61 21.407 19.116 0.879 1.00 54.52 C ATOM 871 O GLU A 61 21.442 19.443 -0.306 1.00 63.11 O ATOM 872 CB GLU A 61 20.438 21.087 2.080 1.00 35.23 C ATOM 873 CG GLU A 61 21.628 21.409 2.968 1.00 25.21 C ATOM 874 CD GLU A 61 21.910 22.897 3.048 1.00 70.35 C ATOM 875 OE1 GLU A 61 22.569 23.425 2.129 1.00 13.54 O1- ATOM 876 OE2 GLU A 61 21.472 23.532 4.030 1.00 33.30 O ATOM 0 H GLU A 61 20.485 19.378 3.864 1.00 14.50 H new ATOM 0 HA GLU A 61 19.330 19.428 1.276 1.00 24.54 H new ATOM 0 HB2 GLU A 61 20.543 21.624 1.137 1.00 35.23 H new ATOM 0 HB3 GLU A 61 19.529 21.455 2.557 1.00 35.23 H new ATOM 0 HG2 GLU A 61 21.443 21.024 3.971 1.00 25.21 H new ATOM 0 HG3 GLU A 61 22.511 20.896 2.587 1.00 25.21 H new ATOM 883 N GLU A 62 22.329 18.343 1.445 1.00 72.32 N ATOM 884 CA GLU A 62 23.460 17.823 0.686 1.00 31.42 C ATOM 885 C GLU A 62 23.033 16.649 -0.190 1.00 1.45 C ATOM 886 O GLU A 62 23.831 16.113 -0.959 1.00 71.41 O ATOM 887 CB GLU A 62 24.581 17.388 1.632 1.00 1.21 C ATOM 888 CG GLU A 62 25.692 18.415 1.772 1.00 10.03 C ATOM 889 CD GLU A 62 26.303 18.799 0.439 1.00 2.43 C ATOM 890 OE1 GLU A 62 27.024 17.963 -0.145 1.00 32.10 O1- ATOM 891 OE2 GLU A 62 26.062 19.935 -0.020 1.00 75.13 O ATOM 0 H GLU A 62 22.315 18.063 2.426 1.00 72.32 H new ATOM 0 HA GLU A 62 23.829 18.620 0.040 1.00 31.42 H new ATOM 0 HB2 GLU A 62 24.157 17.187 2.616 1.00 1.21 H new ATOM 0 HB3 GLU A 62 25.007 16.452 1.271 1.00 1.21 H new ATOM 0 HG2 GLU A 62 25.297 19.308 2.257 1.00 10.03 H new ATOM 0 HG3 GLU A 62 26.470 18.016 2.423 1.00 10.03 H new ATOM 898 N GLU A 63 21.770 16.253 -0.066 1.00 1.55 N ATOM 899 CA GLU A 63 21.239 15.141 -0.844 1.00 2.15 C ATOM 900 C GLU A 63 21.203 15.485 -2.331 1.00 33.05 C ATOM 901 O GLU A 63 21.168 14.599 -3.184 1.00 33.04 O ATOM 902 CB GLU A 63 19.834 14.776 -0.362 1.00 4.33 C ATOM 903 CG GLU A 63 18.812 15.881 -0.573 1.00 54.34 C ATOM 904 CD GLU A 63 18.180 15.835 -1.951 1.00 22.40 C ATOM 905 OE1 GLU A 63 18.100 14.731 -2.530 1.00 61.14 O ATOM 906 OE2 GLU A 63 17.766 16.902 -2.450 1.00 12.13 O1- ATOM 0 H GLU A 63 21.096 16.686 0.566 1.00 1.55 H new ATOM 0 HA GLU A 63 21.899 14.285 -0.701 1.00 2.15 H new ATOM 0 HB2 GLU A 63 19.501 13.880 -0.885 1.00 4.33 H new ATOM 0 HB3 GLU A 63 19.876 14.529 0.699 1.00 4.33 H new ATOM 0 HG2 GLU A 63 18.032 15.799 0.184 1.00 54.34 H new ATOM 0 HG3 GLU A 63 19.293 16.848 -0.430 1.00 54.34 H new ATOM 913 N PHE A 64 21.215 16.779 -2.633 1.00 14.24 N ATOM 914 CA PHE A 64 21.182 17.242 -4.016 1.00 42.31 C ATOM 915 C PHE A 64 22.587 17.274 -4.610 1.00 11.50 C ATOM 916 O PHE A 64 23.070 18.325 -5.033 1.00 32.43 O ATOM 917 CB PHE A 64 20.550 18.632 -4.095 1.00 12.40 C ATOM 918 CG PHE A 64 19.875 18.910 -5.409 1.00 41.53 C ATOM 919 CD1 PHE A 64 18.723 18.230 -5.768 1.00 45.43 C ATOM 920 CD2 PHE A 64 20.395 19.850 -6.284 1.00 43.22 C ATOM 921 CE1 PHE A 64 18.101 18.482 -6.976 1.00 42.01 C ATOM 922 CE2 PHE A 64 19.776 20.108 -7.492 1.00 2.15 C ATOM 923 CZ PHE A 64 18.627 19.423 -7.840 1.00 13.33 C ATOM 0 H PHE A 64 21.247 17.526 -1.939 1.00 14.24 H new ATOM 0 HA PHE A 64 20.577 16.543 -4.594 1.00 42.31 H new ATOM 0 HB2 PHE A 64 19.821 18.737 -3.292 1.00 12.40 H new ATOM 0 HB3 PHE A 64 21.321 19.383 -3.926 1.00 12.40 H new ATOM 0 HD1 PHE A 64 18.306 17.494 -5.096 1.00 45.43 H new ATOM 0 HD2 PHE A 64 21.294 20.387 -6.019 1.00 43.22 H new ATOM 0 HE1 PHE A 64 17.204 17.944 -7.245 1.00 42.01 H new ATOM 0 HE2 PHE A 64 20.190 20.845 -8.164 1.00 2.15 H new ATOM 0 HZ PHE A 64 18.142 19.623 -8.784 1.00 13.33 H new ATOM 933 N VAL A 65 23.238 16.116 -4.640 1.00 14.35 N ATOM 934 CA VAL A 65 24.586 16.010 -5.184 1.00 53.13 C ATOM 935 C VAL A 65 24.641 15.006 -6.328 1.00 62.20 C ATOM 936 O VAL A 65 23.620 14.445 -6.723 1.00 61.02 O ATOM 937 CB VAL A 65 25.597 15.592 -4.099 1.00 52.31 C ATOM 938 CG1 VAL A 65 25.750 16.691 -3.058 1.00 53.55 C ATOM 939 CG2 VAL A 65 25.169 14.286 -3.448 1.00 75.10 C ATOM 0 H VAL A 65 22.853 15.237 -4.294 1.00 14.35 H new ATOM 0 HA VAL A 65 24.854 16.998 -5.560 1.00 53.13 H new ATOM 0 HB VAL A 65 26.567 15.436 -4.572 1.00 52.31 H new ATOM 0 HG11 VAL A 65 26.468 16.377 -2.300 1.00 53.55 H new ATOM 0 HG12 VAL A 65 26.106 17.602 -3.540 1.00 53.55 H new ATOM 0 HG13 VAL A 65 24.786 16.883 -2.587 1.00 53.55 H new ATOM 0 HG21 VAL A 65 25.894 14.005 -2.684 1.00 75.10 H new ATOM 0 HG22 VAL A 65 24.189 14.413 -2.989 1.00 75.10 H new ATOM 0 HG23 VAL A 65 25.117 13.503 -4.204 1.00 75.10 H new ATOM 949 N GLU A 66 25.840 14.783 -6.856 1.00 2.51 N ATOM 950 CA GLU A 66 26.028 13.844 -7.957 1.00 74.43 C ATOM 951 C GLU A 66 25.344 12.512 -7.658 1.00 23.21 C ATOM 952 O GLU A 66 24.744 11.899 -8.539 1.00 2.04 O ATOM 953 CB GLU A 66 27.518 13.619 -8.217 1.00 20.43 C ATOM 954 CG GLU A 66 28.266 14.882 -8.609 1.00 34.14 C ATOM 955 CD GLU A 66 28.235 15.139 -10.103 1.00 41.54 C ATOM 956 OE1 GLU A 66 28.311 14.159 -10.874 1.00 71.33 O ATOM 957 OE2 GLU A 66 28.134 16.318 -10.501 1.00 10.42 O1- ATOM 0 H GLU A 66 26.696 15.239 -6.540 1.00 2.51 H new ATOM 0 HA GLU A 66 25.573 14.274 -8.849 1.00 74.43 H new ATOM 0 HB2 GLU A 66 27.975 13.200 -7.321 1.00 20.43 H new ATOM 0 HB3 GLU A 66 27.632 12.879 -9.009 1.00 20.43 H new ATOM 0 HG2 GLU A 66 27.830 15.734 -8.088 1.00 34.14 H new ATOM 0 HG3 GLU A 66 29.302 14.803 -8.279 1.00 34.14 H new ATOM 964 N GLY A 67 25.444 12.071 -6.409 1.00 71.33 N ATOM 965 CA GLY A 67 24.832 10.815 -6.015 1.00 61.34 C ATOM 966 C GLY A 67 25.773 9.937 -5.215 1.00 70.12 C ATOM 967 O GLY A 67 25.402 8.842 -4.791 1.00 52.23 O ATOM 0 H GLY A 67 25.938 12.560 -5.662 1.00 71.33 H new ATOM 0 HA2 GLY A 67 23.940 11.019 -5.423 1.00 61.34 H new ATOM 0 HA3 GLY A 67 24.508 10.277 -6.906 1.00 61.34 H new ATOM 971 N ILE A 68 26.995 10.416 -5.011 1.00 31.34 N ATOM 972 CA ILE A 68 27.993 9.666 -4.257 1.00 24.21 C ATOM 973 C ILE A 68 27.681 9.684 -2.764 1.00 41.21 C ATOM 974 O ILE A 68 27.681 10.741 -2.132 1.00 52.24 O ATOM 975 CB ILE A 68 29.409 10.229 -4.481 1.00 2.11 C ATOM 976 CG1 ILE A 68 29.685 10.393 -5.977 1.00 53.05 C ATOM 977 CG2 ILE A 68 30.448 9.321 -3.841 1.00 43.11 C ATOM 978 CD1 ILE A 68 30.972 11.130 -6.277 1.00 24.51 C ATOM 0 H ILE A 68 27.318 11.319 -5.357 1.00 31.34 H new ATOM 0 HA ILE A 68 27.958 8.639 -4.621 1.00 24.21 H new ATOM 0 HB ILE A 68 29.473 11.210 -4.009 1.00 2.11 H new ATOM 0 HG12 ILE A 68 29.723 9.408 -6.441 1.00 53.05 H new ATOM 0 HG13 ILE A 68 28.854 10.929 -6.435 1.00 53.05 H new ATOM 0 HG21 ILE A 68 31.443 9.733 -4.008 1.00 43.11 H new ATOM 0 HG22 ILE A 68 30.260 9.251 -2.770 1.00 43.11 H new ATOM 0 HG23 ILE A 68 30.387 8.328 -4.286 1.00 43.11 H new ATOM 0 HD11 ILE A 68 31.103 11.209 -7.356 1.00 24.51 H new ATOM 0 HD12 ILE A 68 30.929 12.129 -5.842 1.00 24.51 H new ATOM 0 HD13 ILE A 68 31.812 10.584 -5.849 1.00 24.51 H new ATOM 990 N TYR A 69 27.419 8.507 -2.206 1.00 43.21 N ATOM 991 CA TYR A 69 27.105 8.388 -0.787 1.00 1.03 C ATOM 992 C TYR A 69 27.735 7.131 -0.195 1.00 42.24 C ATOM 993 O TYR A 69 27.744 6.071 -0.822 1.00 25.42 O ATOM 994 CB TYR A 69 25.590 8.360 -0.578 1.00 41.35 C ATOM 995 CG TYR A 69 24.861 9.483 -1.280 1.00 60.55 C ATOM 996 CD1 TYR A 69 25.063 10.807 -0.909 1.00 42.53 C ATOM 997 CD2 TYR A 69 23.971 9.222 -2.314 1.00 31.35 C ATOM 998 CE1 TYR A 69 24.399 11.837 -1.547 1.00 61.22 C ATOM 999 CE2 TYR A 69 23.304 10.246 -2.959 1.00 73.53 C ATOM 1000 CZ TYR A 69 23.521 11.552 -2.571 1.00 22.23 C ATOM 1001 OH TYR A 69 22.857 12.574 -3.209 1.00 34.52 O ATOM 0 H TYR A 69 27.418 7.623 -2.714 1.00 43.21 H new ATOM 0 HA TYR A 69 27.519 9.257 -0.275 1.00 1.03 H new ATOM 0 HB2 TYR A 69 25.200 7.406 -0.934 1.00 41.35 H new ATOM 0 HB3 TYR A 69 25.378 8.412 0.490 1.00 41.35 H new ATOM 0 HD1 TYR A 69 25.751 11.035 -0.108 1.00 42.53 H new ATOM 0 HD2 TYR A 69 23.797 8.201 -2.619 1.00 31.35 H new ATOM 0 HE1 TYR A 69 24.567 12.860 -1.245 1.00 61.22 H new ATOM 0 HE2 TYR A 69 22.617 10.025 -3.762 1.00 73.53 H new ATOM 0 HH TYR A 69 22.282 13.042 -2.567 1.00 34.52 H new ATOM 1011 N LYS A 70 28.259 7.256 1.020 1.00 53.02 N ATOM 1012 CA LYS A 70 28.890 6.131 1.701 1.00 22.35 C ATOM 1013 C LYS A 70 28.240 5.884 3.059 1.00 44.40 C ATOM 1014 O LYS A 70 28.488 6.614 4.019 1.00 32.24 O ATOM 1015 CB LYS A 70 30.387 6.391 1.880 1.00 11.12 C ATOM 1016 CG LYS A 70 31.102 6.742 0.586 1.00 64.32 C ATOM 1017 CD LYS A 70 31.578 8.185 0.586 1.00 64.11 C ATOM 1018 CE LYS A 70 31.944 8.652 -0.815 1.00 50.51 C ATOM 1019 NZ LYS A 70 33.301 8.188 -1.217 1.00 34.32 N1+ ATOM 0 H LYS A 70 28.259 8.125 1.553 1.00 53.02 H new ATOM 0 HA LYS A 70 28.753 5.242 1.085 1.00 22.35 H new ATOM 0 HB2 LYS A 70 30.523 7.204 2.593 1.00 11.12 H new ATOM 0 HB3 LYS A 70 30.852 5.506 2.314 1.00 11.12 H new ATOM 0 HG2 LYS A 70 31.954 6.077 0.448 1.00 64.32 H new ATOM 0 HG3 LYS A 70 30.431 6.579 -0.257 1.00 64.32 H new ATOM 0 HD2 LYS A 70 30.796 8.827 0.992 1.00 64.11 H new ATOM 0 HD3 LYS A 70 32.444 8.284 1.241 1.00 64.11 H new ATOM 0 HE2 LYS A 70 31.207 8.279 -1.526 1.00 50.51 H new ATOM 0 HE3 LYS A 70 31.905 9.740 -0.857 1.00 50.51 H new ATOM 0 HZ1 LYS A 70 33.782 8.941 -1.748 1.00 34.32 H new ATOM 0 HZ2 LYS A 70 33.854 7.956 -0.368 1.00 34.32 H new ATOM 0 HZ3 LYS A 70 33.215 7.342 -1.816 1.00 34.32 H new ATOM 1033 N VAL A 71 27.409 4.850 3.132 1.00 65.12 N ATOM 1034 CA VAL A 71 26.726 4.505 4.374 1.00 43.30 C ATOM 1035 C VAL A 71 27.373 3.297 5.040 1.00 4.12 C ATOM 1036 O VAL A 71 27.524 2.242 4.424 1.00 32.12 O ATOM 1037 CB VAL A 71 25.235 4.205 4.129 1.00 43.54 C ATOM 1038 CG1 VAL A 71 24.560 3.767 5.421 1.00 72.13 C ATOM 1039 CG2 VAL A 71 24.537 5.420 3.539 1.00 13.51 C ATOM 0 H VAL A 71 27.192 4.236 2.347 1.00 65.12 H new ATOM 0 HA VAL A 71 26.812 5.369 5.033 1.00 43.30 H new ATOM 0 HB VAL A 71 25.159 3.388 3.412 1.00 43.54 H new ATOM 0 HG11 VAL A 71 23.507 3.559 5.229 1.00 72.13 H new ATOM 0 HG12 VAL A 71 25.045 2.866 5.798 1.00 72.13 H new ATOM 0 HG13 VAL A 71 24.644 4.561 6.163 1.00 72.13 H new ATOM 0 HG21 VAL A 71 23.485 5.190 3.372 1.00 13.51 H new ATOM 0 HG22 VAL A 71 24.620 6.259 4.230 1.00 13.51 H new ATOM 0 HG23 VAL A 71 25.005 5.684 2.591 1.00 13.51 H new ATOM 1049 N GLU A 72 27.756 3.458 6.303 1.00 21.11 N ATOM 1050 CA GLU A 72 28.388 2.379 7.053 1.00 23.21 C ATOM 1051 C GLU A 72 27.487 1.906 8.190 1.00 64.10 C ATOM 1052 O GLU A 72 26.892 2.715 8.902 1.00 4.11 O ATOM 1053 CB GLU A 72 29.735 2.839 7.613 1.00 23.23 C ATOM 1054 CG GLU A 72 29.622 3.603 8.921 1.00 11.22 C ATOM 1055 CD GLU A 72 30.788 4.544 9.151 1.00 2.12 C ATOM 1056 OE1 GLU A 72 31.014 5.429 8.299 1.00 13.44 O ATOM 1057 OE2 GLU A 72 31.476 4.395 10.184 1.00 15.25 O1- ATOM 0 H GLU A 72 27.640 4.325 6.828 1.00 21.11 H new ATOM 0 HA GLU A 72 28.552 1.544 6.371 1.00 23.21 H new ATOM 0 HB2 GLU A 72 30.372 1.968 7.765 1.00 23.23 H new ATOM 0 HB3 GLU A 72 30.229 3.471 6.875 1.00 23.23 H new ATOM 0 HG2 GLU A 72 28.693 4.174 8.925 1.00 11.22 H new ATOM 0 HG3 GLU A 72 29.564 2.894 9.747 1.00 11.22 H new ATOM 1064 N ILE A 73 27.391 0.591 8.352 1.00 64.22 N ATOM 1065 CA ILE A 73 26.563 0.010 9.403 1.00 54.32 C ATOM 1066 C ILE A 73 27.417 -0.724 10.432 1.00 14.42 C ATOM 1067 O ILE A 73 28.359 -1.434 10.080 1.00 11.03 O ATOM 1068 CB ILE A 73 25.524 -0.968 8.823 1.00 65.52 C ATOM 1069 CG1 ILE A 73 24.617 -0.249 7.823 1.00 2.33 C ATOM 1070 CG2 ILE A 73 24.701 -1.590 9.942 1.00 24.31 C ATOM 1071 CD1 ILE A 73 24.686 -0.821 6.424 1.00 1.34 C ATOM 0 H ILE A 73 27.876 -0.092 7.770 1.00 64.22 H new ATOM 0 HA ILE A 73 26.042 0.835 9.889 1.00 54.32 H new ATOM 0 HB ILE A 73 26.050 -1.766 8.298 1.00 65.52 H new ATOM 0 HG12 ILE A 73 23.587 -0.300 8.177 1.00 2.33 H new ATOM 0 HG13 ILE A 73 24.891 0.805 7.789 1.00 2.33 H new ATOM 0 HG21 ILE A 73 23.971 -2.279 9.517 1.00 24.31 H new ATOM 0 HG22 ILE A 73 25.360 -2.132 10.620 1.00 24.31 H new ATOM 0 HG23 ILE A 73 24.182 -0.805 10.492 1.00 24.31 H new ATOM 0 HD11 ILE A 73 24.017 -0.262 5.769 1.00 1.34 H new ATOM 0 HD12 ILE A 73 25.707 -0.746 6.050 1.00 1.34 H new ATOM 0 HD13 ILE A 73 24.383 -1.868 6.444 1.00 1.34 H new ATOM 1083 N ASP A 74 27.078 -0.549 11.704 1.00 44.44 N ATOM 1084 CA ASP A 74 27.810 -1.197 12.787 1.00 10.11 C ATOM 1085 C ASP A 74 27.024 -2.379 13.344 1.00 13.42 C ATOM 1086 O ASP A 74 26.034 -2.200 14.054 1.00 64.24 O ATOM 1087 CB ASP A 74 28.108 -0.194 13.902 1.00 20.22 C ATOM 1088 CG ASP A 74 29.538 0.308 13.864 1.00 1.12 C ATOM 1089 OD1 ASP A 74 30.178 0.196 12.797 1.00 11.04 O ATOM 1090 OD2 ASP A 74 30.018 0.812 14.901 1.00 62.12 O1- ATOM 0 H ASP A 74 26.301 0.036 12.011 1.00 44.44 H new ATOM 0 HA ASP A 74 28.752 -1.569 12.384 1.00 10.11 H new ATOM 0 HB2 ASP A 74 27.427 0.653 13.816 1.00 20.22 H new ATOM 0 HB3 ASP A 74 27.916 -0.661 14.868 1.00 20.22 H new ATOM 1095 N THR A 75 27.470 -3.587 13.018 1.00 2.21 N ATOM 1096 CA THR A 75 26.808 -4.799 13.484 1.00 43.11 C ATOM 1097 C THR A 75 27.397 -5.274 14.808 1.00 52.03 C ATOM 1098 O THR A 75 26.710 -5.897 15.617 1.00 42.55 O ATOM 1099 CB THR A 75 26.919 -5.934 12.449 1.00 63.11 C ATOM 1100 OG1 THR A 75 28.283 -6.351 12.323 1.00 13.12 O ATOM 1101 CG2 THR A 75 26.395 -5.483 11.094 1.00 71.34 C ATOM 0 H THR A 75 28.288 -3.753 12.432 1.00 2.21 H new ATOM 0 HA THR A 75 25.757 -4.549 13.626 1.00 43.11 H new ATOM 0 HB THR A 75 26.314 -6.772 12.795 1.00 63.11 H new ATOM 0 HG1 THR A 75 28.319 -7.325 12.225 1.00 13.12 H new ATOM 0 HG21 THR A 75 26.483 -6.301 10.379 1.00 71.34 H new ATOM 0 HG22 THR A 75 25.348 -5.194 11.187 1.00 71.34 H new ATOM 0 HG23 THR A 75 26.977 -4.631 10.744 1.00 71.34 H new ATOM 1109 N LYS A 76 28.674 -4.974 15.022 1.00 11.51 N ATOM 1110 CA LYS A 76 29.357 -5.369 16.249 1.00 2.32 C ATOM 1111 C LYS A 76 28.685 -4.747 17.469 1.00 63.31 C ATOM 1112 O LYS A 76 28.706 -5.318 18.560 1.00 10.13 O ATOM 1113 CB LYS A 76 30.828 -4.950 16.195 1.00 70.33 C ATOM 1114 CG LYS A 76 31.031 -3.483 15.862 1.00 30.31 C ATOM 1115 CD LYS A 76 31.198 -2.644 17.118 1.00 0.13 C ATOM 1116 CE LYS A 76 30.741 -1.210 16.895 1.00 10.32 C ATOM 1117 NZ LYS A 76 31.125 -0.323 18.028 1.00 64.52 N1+ ATOM 0 H LYS A 76 29.257 -4.459 14.362 1.00 11.51 H new ATOM 0 HA LYS A 76 29.297 -6.454 16.336 1.00 2.32 H new ATOM 0 HB2 LYS A 76 31.293 -5.163 17.157 1.00 70.33 H new ATOM 0 HB3 LYS A 76 31.343 -5.557 15.451 1.00 70.33 H new ATOM 0 HG2 LYS A 76 31.911 -3.371 15.229 1.00 30.31 H new ATOM 0 HG3 LYS A 76 30.178 -3.117 15.290 1.00 30.31 H new ATOM 0 HD2 LYS A 76 30.625 -3.087 17.932 1.00 0.13 H new ATOM 0 HD3 LYS A 76 32.244 -2.650 17.425 1.00 0.13 H new ATOM 0 HE2 LYS A 76 31.177 -0.829 15.972 1.00 10.32 H new ATOM 0 HE3 LYS A 76 29.659 -1.189 16.768 1.00 10.32 H new ATOM 0 HZ1 LYS A 76 31.342 0.628 17.666 1.00 64.52 H new ATOM 0 HZ2 LYS A 76 30.338 -0.264 18.705 1.00 64.52 H new ATOM 0 HZ3 LYS A 76 31.963 -0.712 18.505 1.00 64.52 H new ATOM 1131 N SER A 77 28.087 -3.576 17.278 1.00 12.32 N ATOM 1132 CA SER A 77 27.411 -2.876 18.364 1.00 40.54 C ATOM 1133 C SER A 77 25.950 -3.305 18.460 1.00 72.24 C ATOM 1134 O SER A 77 25.330 -3.207 19.519 1.00 3.31 O ATOM 1135 CB SER A 77 27.498 -1.363 18.156 1.00 24.54 C ATOM 1136 OG SER A 77 28.534 -0.799 18.940 1.00 62.42 O ATOM 0 H SER A 77 28.057 -3.092 16.381 1.00 12.32 H new ATOM 0 HA SER A 77 27.910 -3.136 19.298 1.00 40.54 H new ATOM 0 HB2 SER A 77 27.677 -1.147 17.103 1.00 24.54 H new ATOM 0 HB3 SER A 77 26.546 -0.901 18.419 1.00 24.54 H new ATOM 0 HG SER A 77 28.519 0.177 18.849 1.00 62.42 H new ATOM 1142 N TYR A 78 25.406 -3.782 17.346 1.00 33.14 N ATOM 1143 CA TYR A 78 24.017 -4.224 17.303 1.00 43.04 C ATOM 1144 C TYR A 78 23.879 -5.641 17.849 1.00 22.45 C ATOM 1145 O TYR A 78 22.825 -6.022 18.359 1.00 1.02 O ATOM 1146 CB TYR A 78 23.486 -4.165 15.868 1.00 4.32 C ATOM 1147 CG TYR A 78 22.130 -4.812 15.698 1.00 61.13 C ATOM 1148 CD1 TYR A 78 21.065 -4.467 16.522 1.00 50.52 C ATOM 1149 CD2 TYR A 78 21.913 -5.767 14.714 1.00 52.42 C ATOM 1150 CE1 TYR A 78 19.824 -5.055 16.370 1.00 70.55 C ATOM 1151 CE2 TYR A 78 20.676 -6.360 14.553 1.00 61.52 C ATOM 1152 CZ TYR A 78 19.635 -6.001 15.384 1.00 70.05 C ATOM 1153 OH TYR A 78 18.400 -6.589 15.229 1.00 34.34 O ATOM 0 H TYR A 78 25.905 -3.872 16.461 1.00 33.14 H new ATOM 0 HA TYR A 78 23.429 -3.554 17.930 1.00 43.04 H new ATOM 0 HB2 TYR A 78 23.424 -3.123 15.555 1.00 4.32 H new ATOM 0 HB3 TYR A 78 24.199 -4.655 15.205 1.00 4.32 H new ATOM 0 HD1 TYR A 78 21.210 -3.726 17.295 1.00 50.52 H new ATOM 0 HD2 TYR A 78 22.726 -6.051 14.063 1.00 52.42 H new ATOM 0 HE1 TYR A 78 19.007 -4.776 17.019 1.00 70.55 H new ATOM 0 HE2 TYR A 78 20.525 -7.100 13.781 1.00 61.52 H new ATOM 0 HH TYR A 78 18.434 -7.232 14.490 1.00 34.34 H new ATOM 1163 N TRP A 79 24.951 -6.417 17.741 1.00 42.11 N ATOM 1164 CA TRP A 79 24.952 -7.792 18.225 1.00 34.33 C ATOM 1165 C TRP A 79 25.309 -7.849 19.706 1.00 45.25 C ATOM 1166 O TRP A 79 25.079 -8.857 20.373 1.00 50.44 O ATOM 1167 CB TRP A 79 25.938 -8.639 17.417 1.00 11.24 C ATOM 1168 CG TRP A 79 25.512 -8.854 15.997 1.00 33.12 C ATOM 1169 CD1 TRP A 79 24.232 -8.971 15.534 1.00 13.21 C ATOM 1170 CD2 TRP A 79 26.367 -8.980 14.856 1.00 23.44 C ATOM 1171 NE1 TRP A 79 24.241 -9.162 14.173 1.00 13.32 N ATOM 1172 CE2 TRP A 79 25.537 -9.170 13.732 1.00 40.35 C ATOM 1173 CE3 TRP A 79 27.752 -8.949 14.672 1.00 60.30 C ATOM 1174 CZ2 TRP A 79 26.050 -9.329 12.448 1.00 71.44 C ATOM 1175 CZ3 TRP A 79 28.258 -9.107 13.396 1.00 22.15 C ATOM 1176 CH2 TRP A 79 27.409 -9.295 12.298 1.00 55.42 C ATOM 0 H TRP A 79 25.831 -6.117 17.322 1.00 42.11 H new ATOM 0 HA TRP A 79 23.947 -8.195 18.097 1.00 34.33 H new ATOM 0 HB2 TRP A 79 26.914 -8.155 17.426 1.00 11.24 H new ATOM 0 HB3 TRP A 79 26.058 -9.607 17.903 1.00 11.24 H new ATOM 0 HD1 TRP A 79 23.344 -8.921 16.147 1.00 13.21 H new ATOM 0 HE1 TRP A 79 23.415 -9.279 13.586 1.00 13.32 H new ATOM 0 HE3 TRP A 79 28.415 -8.804 15.512 1.00 60.30 H new ATOM 0 HZ2 TRP A 79 25.398 -9.474 11.600 1.00 71.44 H new ATOM 0 HZ3 TRP A 79 29.327 -9.085 13.243 1.00 22.15 H new ATOM 0 HH2 TRP A 79 27.836 -9.416 11.313 1.00 55.42 H new ATOM 1187 N LYS A 80 25.871 -6.758 20.216 1.00 50.41 N ATOM 1188 CA LYS A 80 26.258 -6.682 21.619 1.00 54.32 C ATOM 1189 C LYS A 80 25.081 -6.246 22.486 1.00 54.00 C ATOM 1190 O LYS A 80 25.090 -6.435 23.702 1.00 50.04 O ATOM 1191 CB LYS A 80 27.424 -5.706 21.796 1.00 61.21 C ATOM 1192 CG LYS A 80 26.996 -4.248 21.833 1.00 73.40 C ATOM 1193 CD LYS A 80 27.071 -3.682 23.241 1.00 71.12 C ATOM 1194 CE LYS A 80 28.512 -3.502 23.693 1.00 24.41 C ATOM 1195 NZ LYS A 80 28.621 -3.416 25.176 1.00 51.34 N1+ ATOM 0 H LYS A 80 26.068 -5.914 19.678 1.00 50.41 H new ATOM 0 HA LYS A 80 26.572 -7.676 21.937 1.00 54.32 H new ATOM 0 HB2 LYS A 80 27.950 -5.945 22.720 1.00 61.21 H new ATOM 0 HB3 LYS A 80 28.133 -5.848 20.980 1.00 61.21 H new ATOM 0 HG2 LYS A 80 27.634 -3.663 21.170 1.00 73.40 H new ATOM 0 HG3 LYS A 80 25.977 -4.157 21.457 1.00 73.40 H new ATOM 0 HD2 LYS A 80 26.555 -2.723 23.277 1.00 71.12 H new ATOM 0 HD3 LYS A 80 26.553 -4.349 23.930 1.00 71.12 H new ATOM 0 HE2 LYS A 80 29.113 -4.337 23.332 1.00 24.41 H new ATOM 0 HE3 LYS A 80 28.923 -2.597 23.245 1.00 24.41 H new ATOM 0 HZ1 LYS A 80 29.618 -3.294 25.444 1.00 51.34 H new ATOM 0 HZ2 LYS A 80 28.068 -2.604 25.518 1.00 51.34 H new ATOM 0 HZ3 LYS A 80 28.253 -4.290 25.602 1.00 51.34 H new ATOM 1209 N ALA A 81 24.069 -5.663 21.851 1.00 25.51 N ATOM 1210 CA ALA A 81 22.884 -5.204 22.564 1.00 23.43 C ATOM 1211 C ALA A 81 21.892 -6.344 22.772 1.00 74.11 C ATOM 1212 O ALA A 81 21.347 -6.516 23.863 1.00 11.21 O ATOM 1213 CB ALA A 81 22.224 -4.060 21.810 1.00 4.11 C ATOM 0 H ALA A 81 24.047 -5.498 20.845 1.00 25.51 H new ATOM 0 HA ALA A 81 23.197 -4.846 23.545 1.00 23.43 H new ATOM 0 HB1 ALA A 81 21.340 -3.727 22.354 1.00 4.11 H new ATOM 0 HB2 ALA A 81 22.927 -3.232 21.718 1.00 4.11 H new ATOM 0 HB3 ALA A 81 21.932 -4.400 20.816 1.00 4.11 H new ATOM 1219 N LEU A 82 21.662 -7.120 21.719 1.00 72.45 N ATOM 1220 CA LEU A 82 20.735 -8.245 21.786 1.00 71.44 C ATOM 1221 C LEU A 82 21.479 -9.550 22.049 1.00 25.04 C ATOM 1222 O LEU A 82 20.886 -10.628 22.041 1.00 54.03 O ATOM 1223 CB LEU A 82 19.939 -8.353 20.484 1.00 34.13 C ATOM 1224 CG LEU A 82 19.101 -7.132 20.106 1.00 12.53 C ATOM 1225 CD1 LEU A 82 18.407 -6.560 21.334 1.00 33.35 C ATOM 1226 CD2 LEU A 82 19.970 -6.073 19.442 1.00 33.50 C ATOM 0 H LEU A 82 22.104 -6.991 20.809 1.00 72.45 H new ATOM 0 HA LEU A 82 20.047 -8.068 22.613 1.00 71.44 H new ATOM 0 HB2 LEU A 82 20.636 -8.556 19.671 1.00 34.13 H new ATOM 0 HB3 LEU A 82 19.276 -9.215 20.558 1.00 34.13 H new ATOM 0 HG LEU A 82 18.337 -7.446 19.394 1.00 12.53 H new ATOM 0 HD11 LEU A 82 17.815 -5.691 21.046 1.00 33.35 H new ATOM 0 HD12 LEU A 82 17.753 -7.317 21.768 1.00 33.35 H new ATOM 0 HD13 LEU A 82 19.155 -6.262 22.069 1.00 33.35 H new ATOM 0 HD21 LEU A 82 19.357 -5.211 19.180 1.00 33.50 H new ATOM 0 HD22 LEU A 82 20.756 -5.763 20.131 1.00 33.50 H new ATOM 0 HD23 LEU A 82 20.421 -6.486 18.539 1.00 33.50 H new ATOM 1238 N GLY A 83 22.784 -9.444 22.286 1.00 74.52 N ATOM 1239 CA GLY A 83 23.588 -10.622 22.551 1.00 61.44 C ATOM 1240 C GLY A 83 23.506 -11.644 21.434 1.00 64.05 C ATOM 1241 O GLY A 83 23.332 -12.836 21.685 1.00 12.21 O ATOM 0 H GLY A 83 23.298 -8.563 22.299 1.00 74.52 H new ATOM 0 HA2 GLY A 83 24.627 -10.325 22.691 1.00 61.44 H new ATOM 0 HA3 GLY A 83 23.259 -11.080 23.484 1.00 61.44 H new ATOM 1245 N ILE A 84 23.631 -11.176 20.196 1.00 55.22 N ATOM 1246 CA ILE A 84 23.569 -12.057 19.037 1.00 13.14 C ATOM 1247 C ILE A 84 24.956 -12.562 18.656 1.00 55.44 C ATOM 1248 O ILE A 84 25.962 -11.900 18.916 1.00 14.52 O ATOM 1249 CB ILE A 84 22.941 -11.347 17.824 1.00 32.24 C ATOM 1250 CG1 ILE A 84 21.658 -10.622 18.235 1.00 51.22 C ATOM 1251 CG2 ILE A 84 22.658 -12.348 16.713 1.00 0.21 C ATOM 1252 CD1 ILE A 84 20.565 -11.554 18.711 1.00 63.44 C ATOM 0 H ILE A 84 23.776 -10.192 19.971 1.00 55.22 H new ATOM 0 HA ILE A 84 22.942 -12.903 19.316 1.00 13.14 H new ATOM 0 HB ILE A 84 23.648 -10.607 17.449 1.00 32.24 H new ATOM 0 HG12 ILE A 84 21.890 -9.911 19.028 1.00 51.22 H new ATOM 0 HG13 ILE A 84 21.289 -10.045 17.387 1.00 51.22 H new ATOM 0 HG21 ILE A 84 22.214 -11.831 15.862 1.00 0.21 H new ATOM 0 HG22 ILE A 84 23.590 -12.822 16.404 1.00 0.21 H new ATOM 0 HG23 ILE A 84 21.967 -13.109 17.076 1.00 0.21 H new ATOM 0 HD11 ILE A 84 19.685 -10.972 18.986 1.00 63.44 H new ATOM 0 HD12 ILE A 84 20.306 -12.249 17.912 1.00 63.44 H new ATOM 0 HD13 ILE A 84 20.916 -12.113 19.578 1.00 63.44 H new ATOM 1264 N SER A 85 25.003 -13.737 18.037 1.00 21.13 N ATOM 1265 CA SER A 85 26.267 -14.332 17.621 1.00 50.52 C ATOM 1266 C SER A 85 27.109 -13.329 16.837 1.00 44.03 C ATOM 1267 O SER A 85 26.801 -12.978 15.698 1.00 31.33 O ATOM 1268 CB SER A 85 26.014 -15.577 16.769 1.00 54.22 C ATOM 1269 OG SER A 85 25.671 -16.688 17.579 1.00 53.22 O ATOM 0 H SER A 85 24.180 -14.296 17.812 1.00 21.13 H new ATOM 0 HA SER A 85 26.816 -14.619 18.518 1.00 50.52 H new ATOM 0 HB2 SER A 85 25.211 -15.379 16.059 1.00 54.22 H new ATOM 0 HB3 SER A 85 26.905 -15.810 16.186 1.00 54.22 H new ATOM 0 HG SER A 85 25.513 -17.471 17.011 1.00 53.22 H new ATOM 1275 N PRO A 86 28.197 -12.855 17.462 1.00 0.11 N ATOM 1276 CA PRO A 86 29.105 -11.886 16.843 1.00 54.45 C ATOM 1277 C PRO A 86 29.908 -12.492 15.696 1.00 45.13 C ATOM 1278 O PRO A 86 30.364 -13.632 15.782 1.00 52.05 O ATOM 1279 CB PRO A 86 30.034 -11.485 17.993 1.00 32.51 C ATOM 1280 CG PRO A 86 30.007 -12.649 18.923 1.00 54.43 C ATOM 1281 CD PRO A 86 28.625 -13.229 18.820 1.00 54.42 C ATOM 0 HA PRO A 86 28.566 -11.049 16.400 1.00 54.45 H new ATOM 0 HB2 PRO A 86 31.044 -11.287 17.635 1.00 32.51 H new ATOM 0 HB3 PRO A 86 29.686 -10.577 18.485 1.00 32.51 H new ATOM 0 HG2 PRO A 86 30.761 -13.386 18.647 1.00 54.43 H new ATOM 0 HG3 PRO A 86 30.224 -12.337 19.945 1.00 54.43 H new ATOM 0 HD2 PRO A 86 28.632 -14.311 18.955 1.00 54.42 H new ATOM 0 HD3 PRO A 86 27.959 -12.817 19.579 1.00 54.42 H new ATOM 1289 N MET A 87 30.075 -11.724 14.626 1.00 52.20 N ATOM 1290 CA MET A 87 30.824 -12.187 13.463 1.00 11.03 C ATOM 1291 C MET A 87 32.075 -11.340 13.250 1.00 60.21 C ATOM 1292 O MET A 87 33.031 -11.779 12.610 1.00 33.13 O ATOM 1293 CB MET A 87 29.945 -12.140 12.212 1.00 52.31 C ATOM 1294 CG MET A 87 28.801 -13.143 12.236 1.00 30.23 C ATOM 1295 SD MET A 87 27.558 -12.807 10.973 1.00 71.42 S ATOM 1296 CE MET A 87 28.598 -12.464 9.557 1.00 23.32 C ATOM 0 H MET A 87 29.702 -10.778 14.539 1.00 52.20 H new ATOM 0 HA MET A 87 31.130 -13.217 13.646 1.00 11.03 H new ATOM 0 HB2 MET A 87 29.535 -11.136 12.103 1.00 52.31 H new ATOM 0 HB3 MET A 87 30.564 -12.328 11.335 1.00 52.31 H new ATOM 0 HG2 MET A 87 29.200 -14.147 12.090 1.00 30.23 H new ATOM 0 HG3 MET A 87 28.329 -13.127 13.218 1.00 30.23 H new ATOM 0 HE1 MET A 87 27.989 -12.448 8.653 1.00 23.32 H new ATOM 0 HE2 MET A 87 29.081 -11.495 9.686 1.00 23.32 H new ATOM 0 HE3 MET A 87 29.359 -13.240 9.468 1.00 23.32 H new ATOM 1306 N HIS A 88 32.062 -10.126 13.790 1.00 53.41 N ATOM 1307 CA HIS A 88 33.196 -9.219 13.659 1.00 33.42 C ATOM 1308 C HIS A 88 33.423 -8.840 12.199 1.00 73.05 C ATOM 1309 O HIS A 88 34.539 -8.939 11.689 1.00 73.13 O ATOM 1310 CB HIS A 88 34.459 -9.862 14.233 1.00 42.20 C ATOM 1311 CG HIS A 88 35.551 -8.879 14.527 1.00 1.22 C ATOM 1312 ND1 HIS A 88 36.804 -8.952 13.954 1.00 11.32 N ATOM 1313 CD2 HIS A 88 35.572 -7.796 15.338 1.00 14.24 C ATOM 1314 CE1 HIS A 88 37.548 -7.957 14.402 1.00 62.14 C ATOM 1315 NE2 HIS A 88 36.824 -7.240 15.242 1.00 62.24 N ATOM 0 H HIS A 88 31.279 -9.748 14.322 1.00 53.41 H new ATOM 0 HA HIS A 88 32.971 -8.312 14.221 1.00 33.42 H new ATOM 0 HB2 HIS A 88 34.202 -10.392 15.150 1.00 42.20 H new ATOM 0 HB3 HIS A 88 34.831 -10.606 13.528 1.00 42.20 H new ATOM 0 HD2 HIS A 88 34.756 -7.436 15.947 1.00 14.24 H new ATOM 0 HE1 HIS A 88 38.574 -7.763 14.128 1.00 62.14 H new ATOM 0 HE2 HIS A 88 37.143 -6.408 15.739 1.00 62.24 H new ATOM 1323 N GLU A 89 32.358 -8.406 11.533 1.00 70.23 N ATOM 1324 CA GLU A 89 32.442 -8.014 10.131 1.00 14.34 C ATOM 1325 C GLU A 89 31.142 -7.360 9.670 1.00 75.32 C ATOM 1326 O GLU A 89 30.112 -8.023 9.542 1.00 72.42 O ATOM 1327 CB GLU A 89 32.752 -9.230 9.256 1.00 53.11 C ATOM 1328 CG GLU A 89 32.852 -8.905 7.776 1.00 61.24 C ATOM 1329 CD GLU A 89 32.787 -10.141 6.901 1.00 1.31 C ATOM 1330 OE1 GLU A 89 33.453 -11.143 7.238 1.00 4.11 O ATOM 1331 OE2 GLU A 89 32.071 -10.107 5.879 1.00 3.31 O1- ATOM 0 H GLU A 89 31.427 -8.317 11.941 1.00 70.23 H new ATOM 0 HA GLU A 89 33.249 -7.288 10.031 1.00 14.34 H new ATOM 0 HB2 GLU A 89 33.691 -9.675 9.586 1.00 53.11 H new ATOM 0 HB3 GLU A 89 31.975 -9.980 9.403 1.00 53.11 H new ATOM 0 HG2 GLU A 89 32.044 -8.227 7.501 1.00 61.24 H new ATOM 0 HG3 GLU A 89 33.787 -8.379 7.586 1.00 61.24 H new ATOM 1338 N HIS A 90 31.198 -6.055 9.423 1.00 74.52 N ATOM 1339 CA HIS A 90 30.026 -5.311 8.977 1.00 55.24 C ATOM 1340 C HIS A 90 30.173 -4.890 7.517 1.00 4.33 C ATOM 1341 O HIS A 90 31.285 -4.719 7.020 1.00 31.43 O ATOM 1342 CB HIS A 90 29.812 -4.079 9.856 1.00 13.21 C ATOM 1343 CG HIS A 90 30.883 -3.042 9.705 1.00 63.34 C ATOM 1344 ND1 HIS A 90 31.998 -2.988 10.514 1.00 35.31 N ATOM 1345 CD2 HIS A 90 31.004 -2.016 8.830 1.00 64.40 C ATOM 1346 CE1 HIS A 90 32.758 -1.973 10.145 1.00 72.11 C ATOM 1347 NE2 HIS A 90 32.178 -1.367 9.124 1.00 23.52 N ATOM 0 H HIS A 90 32.042 -5.491 9.524 1.00 74.52 H new ATOM 0 HA HIS A 90 29.158 -5.964 9.063 1.00 55.24 H new ATOM 0 HB2 HIS A 90 28.848 -3.632 9.613 1.00 13.21 H new ATOM 0 HB3 HIS A 90 29.764 -4.391 10.899 1.00 13.21 H new ATOM 0 HD2 HIS A 90 30.307 -1.756 8.047 1.00 64.40 H new ATOM 0 HE1 HIS A 90 33.695 -1.687 10.600 1.00 72.11 H new ATOM 0 HE2 HIS A 90 32.543 -0.550 8.634 1.00 23.52 H new ATOM 1355 N ALA A 91 29.043 -4.724 6.837 1.00 73.52 N ATOM 1356 CA ALA A 91 29.047 -4.321 5.436 1.00 22.23 C ATOM 1357 C ALA A 91 28.741 -2.834 5.291 1.00 61.21 C ATOM 1358 O ALA A 91 28.286 -2.190 6.237 1.00 23.03 O ATOM 1359 CB ALA A 91 28.043 -5.148 4.647 1.00 3.52 C ATOM 0 H ALA A 91 28.114 -4.862 7.234 1.00 73.52 H new ATOM 0 HA ALA A 91 30.044 -4.500 5.035 1.00 22.23 H new ATOM 0 HB1 ALA A 91 28.056 -4.837 3.602 1.00 3.52 H new ATOM 0 HB2 ALA A 91 28.308 -6.203 4.715 1.00 3.52 H new ATOM 0 HB3 ALA A 91 27.045 -4.997 5.058 1.00 3.52 H new ATOM 1365 N GLU A 92 28.993 -2.295 4.102 1.00 73.32 N ATOM 1366 CA GLU A 92 28.746 -0.884 3.836 1.00 2.25 C ATOM 1367 C GLU A 92 28.244 -0.679 2.409 1.00 25.30 C ATOM 1368 O GLU A 92 28.274 -1.599 1.591 1.00 13.50 O ATOM 1369 CB GLU A 92 30.020 -0.068 4.063 1.00 43.31 C ATOM 1370 CG GLU A 92 31.248 -0.656 3.386 1.00 22.11 C ATOM 1371 CD GLU A 92 32.466 0.238 3.510 1.00 21.31 C ATOM 1372 OE1 GLU A 92 32.542 1.005 4.494 1.00 61.05 O ATOM 1373 OE2 GLU A 92 33.343 0.172 2.623 1.00 32.20 O1- ATOM 0 H GLU A 92 29.368 -2.815 3.308 1.00 73.32 H new ATOM 0 HA GLU A 92 27.976 -0.540 4.526 1.00 2.25 H new ATOM 0 HB2 GLU A 92 29.863 0.946 3.695 1.00 43.31 H new ATOM 0 HB3 GLU A 92 30.207 0.008 5.134 1.00 43.31 H new ATOM 0 HG2 GLU A 92 31.470 -1.629 3.825 1.00 22.11 H new ATOM 0 HG3 GLU A 92 31.031 -0.824 2.331 1.00 22.11 H new ATOM 1380 N VAL A 93 27.782 0.533 2.118 1.00 70.21 N ATOM 1381 CA VAL A 93 27.274 0.859 0.791 1.00 61.32 C ATOM 1382 C VAL A 93 28.015 2.052 0.198 1.00 43.24 C ATOM 1383 O VAL A 93 27.860 3.184 0.657 1.00 3.54 O ATOM 1384 CB VAL A 93 25.766 1.172 0.828 1.00 40.32 C ATOM 1385 CG1 VAL A 93 25.254 1.500 -0.566 1.00 24.13 C ATOM 1386 CG2 VAL A 93 24.995 0.005 1.428 1.00 41.15 C ATOM 0 H VAL A 93 27.749 1.305 2.784 1.00 70.21 H new ATOM 0 HA VAL A 93 27.440 -0.017 0.164 1.00 61.32 H new ATOM 0 HB VAL A 93 25.609 2.046 1.461 1.00 40.32 H new ATOM 0 HG11 VAL A 93 24.187 1.718 -0.520 1.00 24.13 H new ATOM 0 HG12 VAL A 93 25.786 2.369 -0.954 1.00 24.13 H new ATOM 0 HG13 VAL A 93 25.422 0.648 -1.225 1.00 24.13 H new ATOM 0 HG21 VAL A 93 23.931 0.243 1.447 1.00 41.15 H new ATOM 0 HG22 VAL A 93 25.157 -0.887 0.823 1.00 41.15 H new ATOM 0 HG23 VAL A 93 25.344 -0.177 2.444 1.00 41.15 H new ATOM 1396 N VAL A 94 28.821 1.792 -0.827 1.00 55.22 N ATOM 1397 CA VAL A 94 29.585 2.844 -1.485 1.00 54.44 C ATOM 1398 C VAL A 94 29.374 2.815 -2.994 1.00 72.33 C ATOM 1399 O VAL A 94 29.844 1.908 -3.681 1.00 31.22 O ATOM 1400 CB VAL A 94 31.091 2.715 -1.186 1.00 12.35 C ATOM 1401 CG1 VAL A 94 31.863 3.856 -1.832 1.00 44.32 C ATOM 1402 CG2 VAL A 94 31.334 2.677 0.315 1.00 32.44 C ATOM 0 H VAL A 94 28.961 0.861 -1.219 1.00 55.22 H new ATOM 0 HA VAL A 94 29.223 3.793 -1.089 1.00 54.44 H new ATOM 0 HB VAL A 94 31.450 1.778 -1.612 1.00 12.35 H new ATOM 0 HG11 VAL A 94 32.925 3.748 -1.610 1.00 44.32 H new ATOM 0 HG12 VAL A 94 31.713 3.831 -2.911 1.00 44.32 H new ATOM 0 HG13 VAL A 94 31.505 4.807 -1.438 1.00 44.32 H new ATOM 0 HG21 VAL A 94 32.403 2.586 0.508 1.00 32.44 H new ATOM 0 HG22 VAL A 94 30.961 3.596 0.767 1.00 32.44 H new ATOM 0 HG23 VAL A 94 30.813 1.822 0.746 1.00 32.44 H new ATOM 1412 N PHE A 95 28.661 3.814 -3.506 1.00 74.21 N ATOM 1413 CA PHE A 95 28.386 3.902 -4.935 1.00 3.42 C ATOM 1414 C PHE A 95 28.572 5.331 -5.437 1.00 14.12 C ATOM 1415 O PHE A 95 28.208 6.293 -4.759 1.00 41.52 O ATOM 1416 CB PHE A 95 26.962 3.427 -5.233 1.00 1.11 C ATOM 1417 CG PHE A 95 25.905 4.210 -4.507 1.00 21.10 C ATOM 1418 CD1 PHE A 95 25.371 5.361 -5.065 1.00 44.02 C ATOM 1419 CD2 PHE A 95 25.445 3.795 -3.268 1.00 70.40 C ATOM 1420 CE1 PHE A 95 24.398 6.082 -4.401 1.00 24.42 C ATOM 1421 CE2 PHE A 95 24.472 4.513 -2.599 1.00 25.12 C ATOM 1422 CZ PHE A 95 23.949 5.660 -3.165 1.00 43.33 C ATOM 0 H PHE A 95 28.264 4.573 -2.952 1.00 74.21 H new ATOM 0 HA PHE A 95 29.093 3.257 -5.456 1.00 3.42 H new ATOM 0 HB2 PHE A 95 26.781 3.496 -6.306 1.00 1.11 H new ATOM 0 HB3 PHE A 95 26.874 2.375 -4.962 1.00 1.11 H new ATOM 0 HD1 PHE A 95 25.720 5.698 -6.030 1.00 44.02 H new ATOM 0 HD2 PHE A 95 25.851 2.900 -2.820 1.00 70.40 H new ATOM 0 HE1 PHE A 95 23.988 6.976 -4.848 1.00 24.42 H new ATOM 0 HE2 PHE A 95 24.121 4.178 -1.634 1.00 25.12 H new ATOM 0 HZ PHE A 95 23.191 6.225 -2.642 1.00 43.33 H new ATOM 1432 N THR A 96 29.143 5.464 -6.630 1.00 44.40 N ATOM 1433 CA THR A 96 29.379 6.774 -7.223 1.00 34.31 C ATOM 1434 C THR A 96 28.524 6.977 -8.468 1.00 25.23 C ATOM 1435 O THR A 96 28.265 6.035 -9.216 1.00 11.30 O ATOM 1436 CB THR A 96 30.862 6.961 -7.598 1.00 71.34 C ATOM 1437 OG1 THR A 96 31.022 8.147 -8.385 1.00 53.43 O ATOM 1438 CG2 THR A 96 31.381 5.759 -8.371 1.00 41.12 C ATOM 0 H THR A 96 29.451 4.680 -7.205 1.00 44.40 H new ATOM 0 HA THR A 96 29.104 7.515 -6.472 1.00 34.31 H new ATOM 0 HB THR A 96 31.438 7.056 -6.677 1.00 71.34 H new ATOM 0 HG1 THR A 96 31.967 8.260 -8.618 1.00 53.43 H new ATOM 0 HG21 THR A 96 32.430 5.915 -8.624 1.00 41.12 H new ATOM 0 HG22 THR A 96 31.285 4.863 -7.758 1.00 41.12 H new ATOM 0 HG23 THR A 96 30.801 5.637 -9.286 1.00 41.12 H new ATOM 1446 N ALA A 97 28.086 8.213 -8.684 1.00 2.00 N ATOM 1447 CA ALA A 97 27.261 8.540 -9.841 1.00 54.14 C ATOM 1448 C ALA A 97 28.114 8.713 -11.093 1.00 75.12 C ATOM 1449 O ALA A 97 29.315 8.964 -11.006 1.00 3.52 O ATOM 1450 CB ALA A 97 26.451 9.800 -9.572 1.00 3.33 C ATOM 0 H ALA A 97 28.289 9.004 -8.073 1.00 2.00 H new ATOM 0 HA ALA A 97 26.575 7.711 -10.014 1.00 54.14 H new ATOM 0 HB1 ALA A 97 25.840 10.033 -10.444 1.00 3.33 H new ATOM 0 HB2 ALA A 97 25.805 9.640 -8.708 1.00 3.33 H new ATOM 0 HB3 ALA A 97 27.127 10.631 -9.371 1.00 3.33 H new ATOM 1456 N ASN A 98 27.485 8.578 -12.256 1.00 61.44 N ATOM 1457 CA ASN A 98 28.187 8.718 -13.525 1.00 5.53 C ATOM 1458 C ASN A 98 29.252 7.637 -13.681 1.00 5.21 C ATOM 1459 O ASN A 98 30.336 7.890 -14.206 1.00 32.32 O ATOM 1460 CB ASN A 98 28.832 10.102 -13.625 1.00 33.23 C ATOM 1461 CG ASN A 98 28.933 10.592 -15.057 1.00 11.24 C ATOM 1462 OD1 ASN A 98 28.629 9.859 -15.998 1.00 54.42 O ATOM 1463 ND2 ASN A 98 29.361 11.837 -15.227 1.00 42.15 N ATOM 0 H ASN A 98 26.490 8.372 -12.345 1.00 61.44 H new ATOM 0 HA ASN A 98 27.459 8.604 -14.328 1.00 5.53 H new ATOM 0 HB2 ASN A 98 28.249 10.814 -13.041 1.00 33.23 H new ATOM 0 HB3 ASN A 98 29.828 10.068 -13.185 1.00 33.23 H new ATOM 0 HD21 ASN A 98 29.449 12.222 -16.167 1.00 42.15 H new ATOM 0 HD22 ASN A 98 29.602 12.409 -14.417 1.00 42.15 H new ATOM 1470 N ASP A 99 28.933 6.431 -13.221 1.00 51.43 N ATOM 1471 CA ASP A 99 29.861 5.309 -13.312 1.00 34.13 C ATOM 1472 C ASP A 99 29.295 4.206 -14.200 1.00 63.24 C ATOM 1473 O ASP A 99 29.642 3.035 -14.049 1.00 54.14 O ATOM 1474 CB ASP A 99 30.160 4.756 -11.918 1.00 61.02 C ATOM 1475 CG ASP A 99 31.533 4.117 -11.831 1.00 31.11 C ATOM 1476 OD1 ASP A 99 32.514 4.760 -12.260 1.00 64.44 O ATOM 1477 OD2 ASP A 99 31.626 2.974 -11.336 1.00 41.04 O1- ATOM 0 H ASP A 99 28.040 6.206 -12.782 1.00 51.43 H new ATOM 0 HA ASP A 99 30.787 5.669 -13.759 1.00 34.13 H new ATOM 0 HB2 ASP A 99 30.091 5.562 -11.188 1.00 61.02 H new ATOM 0 HB3 ASP A 99 29.402 4.019 -11.652 1.00 61.02 H new ATOM 1482 N SER A 100 28.422 4.589 -15.126 1.00 31.43 N ATOM 1483 CA SER A 100 27.804 3.631 -16.036 1.00 54.41 C ATOM 1484 C SER A 100 27.104 2.520 -15.261 1.00 0.22 C ATOM 1485 O SER A 100 27.293 1.337 -15.541 1.00 0.22 O ATOM 1486 CB SER A 100 28.857 3.031 -16.970 1.00 62.41 C ATOM 1487 OG SER A 100 28.264 2.554 -18.166 1.00 71.24 O ATOM 0 H SER A 100 28.127 5.555 -15.266 1.00 31.43 H new ATOM 0 HA SER A 100 27.060 4.160 -16.631 1.00 54.41 H new ATOM 0 HB2 SER A 100 29.608 3.784 -17.208 1.00 62.41 H new ATOM 0 HB3 SER A 100 29.373 2.214 -16.465 1.00 62.41 H new ATOM 0 HG SER A 100 28.957 2.177 -18.747 1.00 71.24 H new ATOM 1493 N GLY A 101 26.292 2.909 -14.283 1.00 34.22 N ATOM 1494 CA GLY A 101 25.574 1.935 -13.481 1.00 51.22 C ATOM 1495 C GLY A 101 24.142 2.349 -13.209 1.00 34.21 C ATOM 1496 O GLY A 101 23.681 3.399 -13.660 1.00 62.14 O ATOM 0 H GLY A 101 26.118 3.882 -14.031 1.00 34.22 H new ATOM 0 HA2 GLY A 101 25.579 0.973 -13.993 1.00 51.22 H new ATOM 0 HA3 GLY A 101 26.094 1.795 -12.534 1.00 51.22 H new ATOM 1500 N PRO A 102 23.412 1.513 -12.457 1.00 21.34 N ATOM 1501 CA PRO A 102 22.013 1.777 -12.109 1.00 0.44 C ATOM 1502 C PRO A 102 21.867 2.939 -11.133 1.00 41.02 C ATOM 1503 O PRO A 102 22.833 3.647 -10.848 1.00 2.14 O ATOM 1504 CB PRO A 102 21.556 0.470 -11.457 1.00 64.03 C ATOM 1505 CG PRO A 102 22.806 -0.146 -10.929 1.00 43.03 C ATOM 1506 CD PRO A 102 23.897 0.245 -11.887 1.00 62.14 C ATOM 0 HA PRO A 102 21.424 2.063 -12.980 1.00 0.44 H new ATOM 0 HB2 PRO A 102 20.838 0.656 -10.658 1.00 64.03 H new ATOM 0 HB3 PRO A 102 21.067 -0.183 -12.180 1.00 64.03 H new ATOM 0 HG2 PRO A 102 23.023 0.213 -9.923 1.00 43.03 H new ATOM 0 HG3 PRO A 102 22.711 -1.230 -10.867 1.00 43.03 H new ATOM 0 HD2 PRO A 102 24.852 0.373 -11.378 1.00 62.14 H new ATOM 0 HD3 PRO A 102 24.045 -0.511 -12.658 1.00 62.14 H new ATOM 1514 N ARG A 103 20.654 3.128 -10.623 1.00 23.34 N ATOM 1515 CA ARG A 103 20.383 4.205 -9.679 1.00 62.04 C ATOM 1516 C ARG A 103 19.632 3.682 -8.458 1.00 14.33 C ATOM 1517 O ARG A 103 18.644 2.960 -8.587 1.00 52.44 O ATOM 1518 CB ARG A 103 19.570 5.312 -10.354 1.00 30.24 C ATOM 1519 CG ARG A 103 20.264 5.931 -11.556 1.00 22.53 C ATOM 1520 CD ARG A 103 19.889 5.216 -12.845 1.00 52.13 C ATOM 1521 NE ARG A 103 20.163 6.033 -14.024 1.00 1.11 N ATOM 1522 CZ ARG A 103 20.043 5.588 -15.270 1.00 54.03 C ATOM 1523 NH1 ARG A 103 19.655 4.341 -15.498 1.00 3.14 N1+ ATOM 1524 NH2 ARG A 103 20.310 6.392 -16.291 1.00 64.44 N ATOM 0 H ARG A 103 19.844 2.550 -10.848 1.00 23.34 H new ATOM 0 HA ARG A 103 21.338 4.614 -9.350 1.00 62.04 H new ATOM 0 HB2 ARG A 103 18.610 4.905 -10.670 1.00 30.24 H new ATOM 0 HB3 ARG A 103 19.360 6.094 -9.624 1.00 30.24 H new ATOM 0 HG2 ARG A 103 19.994 6.984 -11.631 1.00 22.53 H new ATOM 0 HG3 ARG A 103 21.344 5.888 -11.416 1.00 22.53 H new ATOM 0 HD2 ARG A 103 20.444 4.281 -12.915 1.00 52.13 H new ATOM 0 HD3 ARG A 103 18.830 4.957 -12.821 1.00 52.13 H new ATOM 0 HE ARG A 103 20.463 6.998 -13.883 1.00 1.11 H new ATOM 0 HH11 ARG A 103 19.448 3.720 -14.716 1.00 3.14 H new ATOM 0 HH12 ARG A 103 19.564 4.002 -16.456 1.00 3.14 H new ATOM 0 HH21 ARG A 103 20.608 7.352 -16.120 1.00 64.44 H new ATOM 0 HH22 ARG A 103 20.218 6.050 -17.247 1.00 64.44 H new ATOM 1538 N ARG A 104 20.110 4.049 -7.273 1.00 24.02 N ATOM 1539 CA ARG A 104 19.485 3.615 -6.029 1.00 24.20 C ATOM 1540 C ARG A 104 19.544 4.719 -4.977 1.00 1.51 C ATOM 1541 O ARG A 104 20.519 5.468 -4.902 1.00 72.24 O ATOM 1542 CB ARG A 104 20.173 2.355 -5.501 1.00 25.22 C ATOM 1543 CG ARG A 104 19.299 1.526 -4.575 1.00 31.23 C ATOM 1544 CD ARG A 104 19.638 0.047 -4.664 1.00 34.05 C ATOM 1545 NE ARG A 104 19.276 -0.519 -5.961 1.00 31.23 N ATOM 1546 CZ ARG A 104 18.025 -0.762 -6.334 1.00 4.22 C ATOM 1547 NH1 ARG A 104 17.020 -0.490 -5.513 1.00 33.51 N1+ ATOM 1548 NH2 ARG A 104 17.776 -1.279 -7.531 1.00 33.42 N ATOM 0 H ARG A 104 20.928 4.646 -7.148 1.00 24.02 H new ATOM 0 HA ARG A 104 18.439 3.390 -6.236 1.00 24.20 H new ATOM 0 HB2 ARG A 104 20.480 1.738 -6.346 1.00 25.22 H new ATOM 0 HB3 ARG A 104 21.080 2.642 -4.970 1.00 25.22 H new ATOM 0 HG2 ARG A 104 19.428 1.869 -3.548 1.00 31.23 H new ATOM 0 HG3 ARG A 104 18.250 1.676 -4.832 1.00 31.23 H new ATOM 0 HD2 ARG A 104 20.706 -0.091 -4.493 1.00 34.05 H new ATOM 0 HD3 ARG A 104 19.116 -0.493 -3.874 1.00 34.05 H new ATOM 0 HE ARG A 104 20.026 -0.740 -6.616 1.00 31.23 H new ATOM 0 HH11 ARG A 104 17.207 -0.093 -4.592 1.00 33.51 H new ATOM 0 HH12 ARG A 104 16.060 -0.678 -5.802 1.00 33.51 H new ATOM 0 HH21 ARG A 104 18.546 -1.490 -8.166 1.00 33.42 H new ATOM 0 HH22 ARG A 104 16.815 -1.465 -7.816 1.00 33.42 H new ATOM 1562 N TYR A 105 18.494 4.814 -4.168 1.00 3.31 N ATOM 1563 CA TYR A 105 18.426 5.827 -3.123 1.00 51.11 C ATOM 1564 C TYR A 105 18.372 5.182 -1.741 1.00 4.42 C ATOM 1565 O TYR A 105 18.863 5.742 -0.761 1.00 2.22 O ATOM 1566 CB TYR A 105 17.200 6.719 -3.328 1.00 3.13 C ATOM 1567 CG TYR A 105 15.887 6.009 -3.091 1.00 74.50 C ATOM 1568 CD1 TYR A 105 15.382 5.111 -4.023 1.00 22.34 C ATOM 1569 CD2 TYR A 105 15.151 6.235 -1.935 1.00 12.00 C ATOM 1570 CE1 TYR A 105 14.182 4.460 -3.812 1.00 51.10 C ATOM 1571 CE2 TYR A 105 13.950 5.587 -1.714 1.00 50.15 C ATOM 1572 CZ TYR A 105 13.470 4.701 -2.655 1.00 33.34 C ATOM 1573 OH TYR A 105 12.275 4.055 -2.439 1.00 22.10 O ATOM 0 H TYR A 105 17.679 4.202 -4.216 1.00 3.31 H new ATOM 0 HA TYR A 105 19.327 6.437 -3.185 1.00 51.11 H new ATOM 0 HB2 TYR A 105 17.267 7.574 -2.656 1.00 3.13 H new ATOM 0 HB3 TYR A 105 17.213 7.111 -4.345 1.00 3.13 H new ATOM 0 HD1 TYR A 105 15.938 4.918 -4.929 1.00 22.34 H new ATOM 0 HD2 TYR A 105 15.523 6.929 -1.196 1.00 12.00 H new ATOM 0 HE1 TYR A 105 13.803 3.767 -4.548 1.00 51.10 H new ATOM 0 HE2 TYR A 105 13.391 5.774 -0.809 1.00 50.15 H new ATOM 0 HH TYR A 105 11.915 3.739 -3.294 1.00 22.10 H new ATOM 1583 N THR A 106 17.772 3.998 -1.670 1.00 40.24 N ATOM 1584 CA THR A 106 17.653 3.276 -0.411 1.00 32.41 C ATOM 1585 C THR A 106 18.858 2.373 -0.179 1.00 71.02 C ATOM 1586 O THR A 106 19.296 1.661 -1.083 1.00 75.23 O ATOM 1587 CB THR A 106 16.372 2.420 -0.372 1.00 75.32 C ATOM 1588 OG1 THR A 106 15.221 3.254 -0.551 1.00 50.12 O ATOM 1589 CG2 THR A 106 16.261 1.670 0.947 1.00 12.31 C ATOM 0 H THR A 106 17.361 3.519 -2.471 1.00 40.24 H new ATOM 0 HA THR A 106 17.605 4.026 0.379 1.00 32.41 H new ATOM 0 HB THR A 106 16.423 1.692 -1.182 1.00 75.32 H new ATOM 0 HG1 THR A 106 15.478 4.068 -1.032 1.00 50.12 H new ATOM 0 HG21 THR A 106 15.349 1.073 0.950 1.00 12.31 H new ATOM 0 HG22 THR A 106 17.124 1.015 1.067 1.00 12.31 H new ATOM 0 HG23 THR A 106 16.230 2.384 1.770 1.00 12.31 H new ATOM 1597 N ILE A 107 19.392 2.408 1.038 1.00 54.05 N ATOM 1598 CA ILE A 107 20.547 1.591 1.389 1.00 74.20 C ATOM 1599 C ILE A 107 20.119 0.204 1.857 1.00 63.32 C ATOM 1600 O ILE A 107 19.553 0.051 2.940 1.00 31.52 O ATOM 1601 CB ILE A 107 21.392 2.255 2.492 1.00 44.44 C ATOM 1602 CG1 ILE A 107 21.958 3.588 1.999 1.00 42.14 C ATOM 1603 CG2 ILE A 107 22.515 1.326 2.931 1.00 44.24 C ATOM 1604 CD1 ILE A 107 21.139 4.786 2.423 1.00 32.11 C ATOM 0 H ILE A 107 19.043 2.993 1.797 1.00 54.05 H new ATOM 0 HA ILE A 107 21.152 1.496 0.487 1.00 74.20 H new ATOM 0 HB ILE A 107 20.751 2.450 3.352 1.00 44.44 H new ATOM 0 HG12 ILE A 107 22.975 3.702 2.374 1.00 42.14 H new ATOM 0 HG13 ILE A 107 22.020 3.567 0.911 1.00 42.14 H new ATOM 0 HG21 ILE A 107 23.103 1.810 3.711 1.00 44.24 H new ATOM 0 HG22 ILE A 107 22.091 0.400 3.318 1.00 44.24 H new ATOM 0 HG23 ILE A 107 23.157 1.103 2.079 1.00 44.24 H new ATOM 0 HD11 ILE A 107 21.599 5.696 2.038 1.00 32.11 H new ATOM 0 HD12 ILE A 107 20.128 4.695 2.026 1.00 32.11 H new ATOM 0 HD13 ILE A 107 21.098 4.832 3.511 1.00 32.11 H new ATOM 1616 N ALA A 108 20.393 -0.804 1.036 1.00 21.23 N ATOM 1617 CA ALA A 108 20.039 -2.178 1.368 1.00 2.35 C ATOM 1618 C ALA A 108 21.188 -2.884 2.081 1.00 63.45 C ATOM 1619 O ALA A 108 22.231 -3.149 1.484 1.00 51.45 O ATOM 1620 CB ALA A 108 19.647 -2.940 0.110 1.00 32.14 C ATOM 0 H ALA A 108 20.859 -0.695 0.135 1.00 21.23 H new ATOM 0 HA ALA A 108 19.186 -2.154 2.046 1.00 2.35 H new ATOM 0 HB1 ALA A 108 19.385 -3.965 0.372 1.00 32.14 H new ATOM 0 HB2 ALA A 108 18.790 -2.455 -0.357 1.00 32.14 H new ATOM 0 HB3 ALA A 108 20.485 -2.947 -0.587 1.00 32.14 H new ATOM 1626 N ALA A 109 20.990 -3.184 3.360 1.00 63.22 N ATOM 1627 CA ALA A 109 22.008 -3.860 4.153 1.00 54.44 C ATOM 1628 C ALA A 109 21.431 -5.079 4.864 1.00 42.04 C ATOM 1629 O ALA A 109 20.499 -4.962 5.659 1.00 35.23 O ATOM 1630 CB ALA A 109 22.617 -2.896 5.161 1.00 2.42 C ATOM 0 H ALA A 109 20.133 -2.969 3.869 1.00 63.22 H new ATOM 0 HA ALA A 109 22.791 -4.204 3.477 1.00 54.44 H new ATOM 0 HB1 ALA A 109 23.376 -3.414 5.747 1.00 2.42 H new ATOM 0 HB2 ALA A 109 23.074 -2.059 4.634 1.00 2.42 H new ATOM 0 HB3 ALA A 109 21.837 -2.524 5.825 1.00 2.42 H new ATOM 1636 N MET A 110 21.991 -6.248 4.572 1.00 0.21 N ATOM 1637 CA MET A 110 21.531 -7.489 5.186 1.00 34.20 C ATOM 1638 C MET A 110 22.595 -8.064 6.115 1.00 44.24 C ATOM 1639 O MET A 110 23.737 -8.286 5.706 1.00 31.10 O ATOM 1640 CB MET A 110 21.172 -8.513 4.107 1.00 34.11 C ATOM 1641 CG MET A 110 19.861 -8.215 3.398 1.00 44.03 C ATOM 1642 SD MET A 110 19.246 -9.623 2.453 1.00 11.42 S ATOM 1643 CE MET A 110 18.395 -10.543 3.732 1.00 12.22 C ATOM 0 H MET A 110 22.763 -6.363 3.915 1.00 0.21 H new ATOM 0 HA MET A 110 20.642 -7.266 5.776 1.00 34.20 H new ATOM 0 HB2 MET A 110 21.974 -8.548 3.370 1.00 34.11 H new ATOM 0 HB3 MET A 110 21.113 -9.502 4.562 1.00 34.11 H new ATOM 0 HG2 MET A 110 19.113 -7.922 4.134 1.00 44.03 H new ATOM 0 HG3 MET A 110 19.999 -7.366 2.729 1.00 44.03 H new ATOM 0 HE1 MET A 110 18.804 -11.552 3.788 1.00 12.22 H new ATOM 0 HE2 MET A 110 18.530 -10.043 4.691 1.00 12.22 H new ATOM 0 HE3 MET A 110 17.332 -10.596 3.496 1.00 12.22 H new ATOM 1653 N LEU A 111 22.216 -8.302 7.365 1.00 51.13 N ATOM 1654 CA LEU A 111 23.139 -8.852 8.353 1.00 21.14 C ATOM 1655 C LEU A 111 23.223 -10.370 8.235 1.00 54.03 C ATOM 1656 O LEU A 111 22.787 -11.096 9.128 1.00 63.05 O ATOM 1657 CB LEU A 111 22.697 -8.461 9.764 1.00 12.44 C ATOM 1658 CG LEU A 111 22.586 -6.962 10.043 1.00 10.52 C ATOM 1659 CD1 LEU A 111 23.757 -6.216 9.422 1.00 71.33 C ATOM 1660 CD2 LEU A 111 21.266 -6.419 9.517 1.00 62.42 C ATOM 0 H LEU A 111 21.276 -8.123 7.719 1.00 51.13 H new ATOM 0 HA LEU A 111 24.129 -8.437 8.161 1.00 21.14 H new ATOM 0 HB2 LEU A 111 21.727 -8.919 9.959 1.00 12.44 H new ATOM 0 HB3 LEU A 111 23.402 -8.891 10.476 1.00 12.44 H new ATOM 0 HG LEU A 111 22.615 -6.809 11.122 1.00 10.52 H new ATOM 0 HD11 LEU A 111 23.661 -5.150 9.631 1.00 71.33 H new ATOM 0 HD12 LEU A 111 24.690 -6.586 9.846 1.00 71.33 H new ATOM 0 HD13 LEU A 111 23.760 -6.376 8.344 1.00 71.33 H new ATOM 0 HD21 LEU A 111 21.204 -5.351 9.724 1.00 62.42 H new ATOM 0 HD22 LEU A 111 21.207 -6.584 8.441 1.00 62.42 H new ATOM 0 HD23 LEU A 111 20.440 -6.933 10.008 1.00 62.42 H new ATOM 1672 N SER A 112 23.788 -10.842 7.129 1.00 54.12 N ATOM 1673 CA SER A 112 23.928 -12.274 6.893 1.00 12.24 C ATOM 1674 C SER A 112 24.888 -12.899 7.901 1.00 22.43 C ATOM 1675 O SER A 112 25.699 -12.218 8.530 1.00 1.40 O ATOM 1676 CB SER A 112 24.427 -12.532 5.470 1.00 43.45 C ATOM 1677 OG SER A 112 25.258 -11.476 5.022 1.00 13.22 O ATOM 0 H SER A 112 24.156 -10.254 6.382 1.00 54.12 H new ATOM 0 HA SER A 112 22.948 -12.735 7.016 1.00 12.24 H new ATOM 0 HB2 SER A 112 24.979 -13.471 5.440 1.00 43.45 H new ATOM 0 HB3 SER A 112 23.576 -12.640 4.797 1.00 43.45 H new ATOM 0 HG SER A 112 25.565 -11.666 4.111 1.00 13.22 H new ATOM 1683 N PRO A 113 24.796 -14.228 8.059 1.00 22.02 N ATOM 1684 CA PRO A 113 25.649 -14.975 8.988 1.00 43.14 C ATOM 1685 C PRO A 113 27.100 -15.032 8.526 1.00 2.12 C ATOM 1686 O PRO A 113 27.487 -14.351 7.576 1.00 12.34 O ATOM 1687 CB PRO A 113 25.031 -16.376 8.987 1.00 50.43 C ATOM 1688 CG PRO A 113 24.344 -16.486 7.670 1.00 10.11 C ATOM 1689 CD PRO A 113 23.853 -15.103 7.342 1.00 23.20 C ATOM 0 HA PRO A 113 25.684 -14.510 9.973 1.00 43.14 H new ATOM 0 HB2 PRO A 113 25.795 -17.146 9.101 1.00 50.43 H new ATOM 0 HB3 PRO A 113 24.329 -16.499 9.811 1.00 50.43 H new ATOM 0 HG2 PRO A 113 25.027 -16.850 6.903 1.00 10.11 H new ATOM 0 HG3 PRO A 113 23.516 -17.193 7.720 1.00 10.11 H new ATOM 0 HD2 PRO A 113 23.868 -14.915 6.268 1.00 23.20 H new ATOM 0 HD3 PRO A 113 22.828 -14.950 7.678 1.00 23.20 H new ATOM 1697 N TYR A 114 27.900 -15.849 9.202 1.00 23.50 N ATOM 1698 CA TYR A 114 29.310 -15.993 8.861 1.00 1.14 C ATOM 1699 C TYR A 114 29.494 -16.973 7.706 1.00 43.00 C ATOM 1700 O TYR A 114 30.466 -16.891 6.956 1.00 5.21 O ATOM 1701 CB TYR A 114 30.105 -16.468 10.079 1.00 52.22 C ATOM 1702 CG TYR A 114 31.566 -16.082 10.037 1.00 0.42 C ATOM 1703 CD1 TYR A 114 31.962 -14.764 10.227 1.00 43.22 C ATOM 1704 CD2 TYR A 114 32.551 -17.034 9.805 1.00 13.42 C ATOM 1705 CE1 TYR A 114 33.296 -14.406 10.188 1.00 31.41 C ATOM 1706 CE2 TYR A 114 33.888 -16.685 9.767 1.00 52.31 C ATOM 1707 CZ TYR A 114 34.254 -15.370 9.958 1.00 63.53 C ATOM 1708 OH TYR A 114 35.584 -15.018 9.919 1.00 74.32 O ATOM 0 H TYR A 114 27.596 -16.422 9.989 1.00 23.50 H new ATOM 0 HA TYR A 114 29.684 -15.018 8.549 1.00 1.14 H new ATOM 0 HB2 TYR A 114 29.654 -16.053 10.981 1.00 52.22 H new ATOM 0 HB3 TYR A 114 30.026 -17.553 10.153 1.00 52.22 H new ATOM 0 HD1 TYR A 114 31.214 -14.006 10.408 1.00 43.22 H new ATOM 0 HD2 TYR A 114 32.267 -18.065 9.652 1.00 13.42 H new ATOM 0 HE1 TYR A 114 33.586 -13.377 10.337 1.00 31.41 H new ATOM 0 HE2 TYR A 114 34.641 -17.438 9.589 1.00 52.31 H new ATOM 0 HH TYR A 114 36.128 -15.815 9.748 1.00 74.32 H new ATOM 1718 N SER A 115 28.552 -17.901 7.569 1.00 75.00 N ATOM 1719 CA SER A 115 28.609 -18.899 6.509 1.00 11.22 C ATOM 1720 C SER A 115 28.323 -18.265 5.150 1.00 71.44 C ATOM 1721 O SER A 115 27.245 -17.717 4.924 1.00 23.43 O ATOM 1722 CB SER A 115 27.607 -20.023 6.781 1.00 64.23 C ATOM 1723 OG SER A 115 27.642 -20.418 8.142 1.00 63.14 O ATOM 0 H SER A 115 27.739 -17.982 8.180 1.00 75.00 H new ATOM 0 HA SER A 115 29.616 -19.317 6.492 1.00 11.22 H new ATOM 0 HB2 SER A 115 26.602 -19.690 6.521 1.00 64.23 H new ATOM 0 HB3 SER A 115 27.833 -20.878 6.145 1.00 64.23 H new ATOM 0 HG SER A 115 26.992 -21.136 8.291 1.00 63.14 H new ATOM 1729 N TYR A 116 29.297 -18.347 4.251 1.00 41.15 N ATOM 1730 CA TYR A 116 29.153 -17.780 2.915 1.00 60.33 C ATOM 1731 C TYR A 116 30.179 -18.375 1.956 1.00 73.11 C ATOM 1732 O TYR A 116 31.196 -18.924 2.380 1.00 43.34 O ATOM 1733 CB TYR A 116 29.307 -16.259 2.964 1.00 52.20 C ATOM 1734 CG TYR A 116 28.865 -15.564 1.696 1.00 62.23 C ATOM 1735 CD1 TYR A 116 27.632 -15.841 1.122 1.00 50.21 C ATOM 1736 CD2 TYR A 116 29.683 -14.630 1.072 1.00 64.02 C ATOM 1737 CE1 TYR A 116 27.225 -15.209 -0.037 1.00 70.32 C ATOM 1738 CE2 TYR A 116 29.285 -13.993 -0.087 1.00 12.14 C ATOM 1739 CZ TYR A 116 28.055 -14.285 -0.638 1.00 0.53 C ATOM 1740 OH TYR A 116 27.653 -13.652 -1.791 1.00 30.40 O ATOM 0 H TYR A 116 30.194 -18.800 4.423 1.00 41.15 H new ATOM 0 HA TYR A 116 28.156 -18.026 2.550 1.00 60.33 H new ATOM 0 HB2 TYR A 116 28.728 -15.871 3.802 1.00 52.20 H new ATOM 0 HB3 TYR A 116 30.351 -16.014 3.157 1.00 52.20 H new ATOM 0 HD1 TYR A 116 26.979 -16.563 1.590 1.00 50.21 H new ATOM 0 HD2 TYR A 116 30.647 -14.398 1.501 1.00 64.02 H new ATOM 0 HE1 TYR A 116 26.262 -15.437 -0.470 1.00 70.32 H new ATOM 0 HE2 TYR A 116 29.934 -13.270 -0.559 1.00 12.14 H new ATOM 0 HH TYR A 116 28.352 -13.031 -2.084 1.00 30.40 H new ATOM 1750 N SER A 117 29.904 -18.263 0.661 1.00 25.22 N ATOM 1751 CA SER A 117 30.801 -18.793 -0.360 1.00 25.44 C ATOM 1752 C SER A 117 32.003 -17.873 -0.557 1.00 44.43 C ATOM 1753 O SER A 117 32.027 -17.052 -1.475 1.00 74.44 O ATOM 1754 CB SER A 117 30.055 -18.967 -1.684 1.00 52.34 C ATOM 1755 OG SER A 117 29.394 -17.772 -2.058 1.00 35.54 O ATOM 0 H SER A 117 29.067 -17.810 0.293 1.00 25.22 H new ATOM 0 HA SER A 117 31.161 -19.765 -0.024 1.00 25.44 H new ATOM 0 HB2 SER A 117 30.757 -19.257 -2.465 1.00 52.34 H new ATOM 0 HB3 SER A 117 29.329 -19.775 -1.592 1.00 52.34 H new ATOM 0 HG SER A 117 30.046 -17.043 -2.121 1.00 35.54 H new ATOM 1761 N THR A 118 32.999 -18.017 0.311 1.00 33.43 N ATOM 1762 CA THR A 118 34.203 -17.200 0.234 1.00 53.23 C ATOM 1763 C THR A 118 35.298 -17.747 1.142 1.00 74.11 C ATOM 1764 O THR A 118 35.034 -18.554 2.034 1.00 53.14 O ATOM 1765 CB THR A 118 33.915 -15.737 0.622 1.00 13.15 C ATOM 1766 OG1 THR A 118 35.086 -14.938 0.421 1.00 55.10 O ATOM 1767 CG2 THR A 118 33.471 -15.639 2.073 1.00 63.23 C ATOM 0 H THR A 118 32.995 -18.692 1.076 1.00 33.43 H new ATOM 0 HA THR A 118 34.542 -17.234 -0.801 1.00 53.23 H new ATOM 0 HB THR A 118 33.110 -15.368 -0.013 1.00 13.15 H new ATOM 0 HG1 THR A 118 34.895 -14.009 0.668 1.00 55.10 H new ATOM 0 HG21 THR A 118 33.274 -14.597 2.323 1.00 63.23 H new ATOM 0 HG22 THR A 118 32.563 -16.225 2.216 1.00 63.23 H new ATOM 0 HG23 THR A 118 34.258 -16.025 2.721 1.00 63.23 H new ATOM 1775 N THR A 119 36.530 -17.304 0.910 1.00 11.45 N ATOM 1776 CA THR A 119 37.665 -17.751 1.706 1.00 25.02 C ATOM 1777 C THR A 119 38.498 -16.568 2.188 1.00 41.31 C ATOM 1778 O THR A 119 39.727 -16.597 2.130 1.00 44.13 O ATOM 1779 CB THR A 119 38.569 -18.708 0.908 1.00 11.34 C ATOM 1780 OG1 THR A 119 38.814 -18.178 -0.398 1.00 72.04 O ATOM 1781 CG2 THR A 119 37.930 -20.084 0.790 1.00 25.02 C ATOM 0 H THR A 119 36.766 -16.636 0.177 1.00 11.45 H new ATOM 0 HA THR A 119 37.258 -18.281 2.567 1.00 25.02 H new ATOM 0 HB THR A 119 39.514 -18.807 1.442 1.00 11.34 H new ATOM 0 HG1 THR A 119 39.391 -18.793 -0.897 1.00 72.04 H new ATOM 0 HG21 THR A 119 38.587 -20.743 0.222 1.00 25.02 H new ATOM 0 HG22 THR A 119 37.773 -20.499 1.786 1.00 25.02 H new ATOM 0 HG23 THR A 119 36.972 -19.997 0.277 1.00 25.02 H new ATOM 1789 N ALA A 120 37.821 -15.529 2.666 1.00 13.22 N ATOM 1790 CA ALA A 120 38.499 -14.337 3.160 1.00 52.22 C ATOM 1791 C ALA A 120 37.553 -13.470 3.984 1.00 55.15 C ATOM 1792 O ALA A 120 36.336 -13.519 3.806 1.00 65.21 O ATOM 1793 CB ALA A 120 39.076 -13.539 2.000 1.00 42.50 C ATOM 0 H ALA A 120 36.803 -15.489 2.722 1.00 13.22 H new ATOM 0 HA ALA A 120 39.315 -14.655 3.808 1.00 52.22 H new ATOM 0 HB1 ALA A 120 39.579 -12.652 2.384 1.00 42.50 H new ATOM 0 HB2 ALA A 120 39.791 -14.155 1.455 1.00 42.50 H new ATOM 0 HB3 ALA A 120 38.271 -13.238 1.329 1.00 42.50 H new ATOM 1799 N VAL A 121 38.121 -12.676 4.886 1.00 4.12 N ATOM 1800 CA VAL A 121 37.329 -11.797 5.738 1.00 43.11 C ATOM 1801 C VAL A 121 37.285 -10.381 5.176 1.00 30.44 C ATOM 1802 O VAL A 121 38.300 -9.849 4.725 1.00 24.04 O ATOM 1803 CB VAL A 121 37.887 -11.752 7.173 1.00 72.25 C ATOM 1804 CG1 VAL A 121 39.264 -11.106 7.189 1.00 1.23 C ATOM 1805 CG2 VAL A 121 36.930 -11.010 8.093 1.00 33.31 C ATOM 0 H VAL A 121 39.127 -12.623 5.046 1.00 4.12 H new ATOM 0 HA VAL A 121 36.319 -12.206 5.763 1.00 43.11 H new ATOM 0 HB VAL A 121 37.987 -12.774 7.539 1.00 72.25 H new ATOM 0 HG11 VAL A 121 39.643 -11.083 8.211 1.00 1.23 H new ATOM 0 HG12 VAL A 121 39.944 -11.683 6.563 1.00 1.23 H new ATOM 0 HG13 VAL A 121 39.193 -10.088 6.805 1.00 1.23 H new ATOM 0 HG21 VAL A 121 37.340 -10.988 9.103 1.00 33.31 H new ATOM 0 HG22 VAL A 121 36.797 -9.990 7.733 1.00 33.31 H new ATOM 0 HG23 VAL A 121 35.967 -11.520 8.104 1.00 33.31 H new ATOM 1815 N VAL A 122 36.103 -9.773 5.207 1.00 21.23 N ATOM 1816 CA VAL A 122 35.927 -8.416 4.702 1.00 51.40 C ATOM 1817 C VAL A 122 36.165 -7.386 5.800 1.00 21.04 C ATOM 1818 O VAL A 122 35.222 -6.903 6.429 1.00 52.34 O ATOM 1819 CB VAL A 122 34.516 -8.214 4.120 1.00 74.35 C ATOM 1820 CG1 VAL A 122 34.402 -6.847 3.459 1.00 52.43 C ATOM 1821 CG2 VAL A 122 34.183 -9.322 3.132 1.00 10.13 C ATOM 0 H VAL A 122 35.253 -10.199 5.577 1.00 21.23 H new ATOM 0 HA VAL A 122 36.663 -8.274 3.910 1.00 51.40 H new ATOM 0 HB VAL A 122 33.795 -8.258 4.937 1.00 74.35 H new ATOM 0 HG11 VAL A 122 33.398 -6.722 3.053 1.00 52.43 H new ATOM 0 HG12 VAL A 122 34.595 -6.069 4.197 1.00 52.43 H new ATOM 0 HG13 VAL A 122 35.131 -6.771 2.653 1.00 52.43 H new ATOM 0 HG21 VAL A 122 33.182 -9.163 2.731 1.00 10.13 H new ATOM 0 HG22 VAL A 122 34.907 -9.312 2.317 1.00 10.13 H new ATOM 0 HG23 VAL A 122 34.221 -10.286 3.640 1.00 10.13 H new ATOM 1831 N THR A 123 37.432 -7.054 6.028 1.00 54.15 N ATOM 1832 CA THR A 123 37.795 -6.081 7.051 1.00 30.41 C ATOM 1833 C THR A 123 38.797 -5.066 6.514 1.00 22.22 C ATOM 1834 O THR A 123 39.854 -5.435 6.004 1.00 52.11 O ATOM 1835 CB THR A 123 38.392 -6.769 8.293 1.00 20.34 C ATOM 1836 OG1 THR A 123 37.445 -7.690 8.846 1.00 33.22 O ATOM 1837 CG2 THR A 123 38.782 -5.741 9.345 1.00 21.05 C ATOM 0 H THR A 123 38.224 -7.445 5.518 1.00 54.15 H new ATOM 0 HA THR A 123 36.878 -5.565 7.336 1.00 30.41 H new ATOM 0 HB THR A 123 39.287 -7.310 7.987 1.00 20.34 H new ATOM 0 HG1 THR A 123 37.833 -8.124 9.634 1.00 33.22 H new ATOM 0 HG21 THR A 123 39.201 -6.250 10.213 1.00 21.05 H new ATOM 0 HG22 THR A 123 39.525 -5.060 8.930 1.00 21.05 H new ATOM 0 HG23 THR A 123 37.900 -5.176 9.646 1.00 21.05 H new ATOM 1845 N ASN A 124 38.458 -3.786 6.633 1.00 75.41 N ATOM 1846 CA ASN A 124 39.330 -2.718 6.160 1.00 53.22 C ATOM 1847 C ASN A 124 38.775 -1.351 6.546 1.00 22.31 C ATOM 1848 O ASN A 124 38.279 -0.595 5.711 1.00 32.20 O ATOM 1849 CB ASN A 124 39.496 -2.802 4.641 1.00 13.12 C ATOM 1850 CG ASN A 124 38.201 -3.154 3.937 1.00 63.22 C ATOM 1851 OD1 ASN A 124 37.783 -4.312 3.925 1.00 54.42 O ATOM 1852 ND2 ASN A 124 37.558 -2.155 3.345 1.00 64.04 N ATOM 0 H ASN A 124 37.586 -3.464 7.053 1.00 75.41 H new ATOM 0 HA ASN A 124 40.304 -2.842 6.633 1.00 53.22 H new ATOM 0 HB2 ASN A 124 39.863 -1.847 4.265 1.00 13.12 H new ATOM 0 HB3 ASN A 124 40.252 -3.550 4.402 1.00 13.12 H new ATOM 0 HD21 ASN A 124 36.681 -2.332 2.855 1.00 64.04 H new ATOM 0 HD22 ASN A 124 37.941 -1.210 3.380 1.00 64.04 H new ATOM 1859 N PRO A 125 38.860 -1.023 7.845 1.00 24.52 N ATOM 1860 CA PRO A 125 38.372 0.255 8.372 1.00 24.42 C ATOM 1861 C PRO A 125 39.226 1.434 7.918 1.00 35.53 C ATOM 1862 O PRO A 125 40.143 1.275 7.112 1.00 10.22 O ATOM 1863 CB PRO A 125 38.474 0.074 9.889 1.00 72.35 C ATOM 1864 CG PRO A 125 39.540 -0.949 10.078 1.00 62.25 C ATOM 1865 CD PRO A 125 39.439 -1.875 8.897 1.00 3.25 C ATOM 0 HA PRO A 125 37.365 0.483 8.022 1.00 24.42 H new ATOM 0 HB2 PRO A 125 38.732 1.011 10.383 1.00 72.35 H new ATOM 0 HB3 PRO A 125 37.526 -0.259 10.313 1.00 72.35 H new ATOM 0 HG2 PRO A 125 40.524 -0.483 10.125 1.00 62.25 H new ATOM 0 HG3 PRO A 125 39.399 -1.492 11.013 1.00 62.25 H new ATOM 0 HD2 PRO A 125 40.415 -2.265 8.607 1.00 3.25 H new ATOM 0 HD3 PRO A 125 38.804 -2.734 9.113 1.00 3.25 H new ATOM 1873 N LYS A 126 38.920 2.616 8.442 1.00 63.33 N ATOM 1874 CA LYS A 126 39.660 3.822 8.091 1.00 0.11 C ATOM 1875 C LYS A 126 41.160 3.613 8.277 1.00 52.52 C ATOM 1876 O LYS A 126 41.971 4.228 7.586 1.00 75.10 O ATOM 1877 CB LYS A 126 39.189 5.001 8.946 1.00 43.13 C ATOM 1878 CG LYS A 126 39.688 4.951 10.380 1.00 31.53 C ATOM 1879 CD LYS A 126 38.988 3.862 11.176 1.00 32.21 C ATOM 1880 CE LYS A 126 39.265 3.996 12.666 1.00 52.15 C ATOM 1881 NZ LYS A 126 38.155 3.439 13.488 1.00 22.22 N1+ ATOM 0 H LYS A 126 38.165 2.764 9.111 1.00 63.33 H new ATOM 0 HA LYS A 126 39.469 4.043 7.041 1.00 0.11 H new ATOM 0 HB2 LYS A 126 39.525 5.930 8.485 1.00 43.13 H new ATOM 0 HB3 LYS A 126 38.099 5.023 8.950 1.00 43.13 H new ATOM 0 HG2 LYS A 126 40.763 4.773 10.386 1.00 31.53 H new ATOM 0 HG3 LYS A 126 39.522 5.916 10.858 1.00 31.53 H new ATOM 0 HD2 LYS A 126 37.914 3.913 10.998 1.00 32.21 H new ATOM 0 HD3 LYS A 126 39.322 2.884 10.829 1.00 32.21 H new ATOM 0 HE2 LYS A 126 40.193 3.479 12.911 1.00 52.15 H new ATOM 0 HE3 LYS A 126 39.410 5.047 12.916 1.00 52.15 H new ATOM 0 HZ1 LYS A 126 38.381 3.549 14.497 1.00 22.22 H new ATOM 0 HZ2 LYS A 126 37.274 3.949 13.273 1.00 22.22 H new ATOM 0 HZ3 LYS A 126 38.033 2.430 13.269 1.00 22.22 H new ATOM 1895 N GLU A 127 41.520 2.743 9.215 1.00 3.11 N ATOM 1896 CA GLU A 127 42.922 2.454 9.491 1.00 3.11 C ATOM 1897 C GLU A 127 43.419 1.295 8.630 1.00 14.11 C ATOM 1898 O GLU A 127 42.718 0.302 8.445 1.00 23.13 O ATOM 1899 CB GLU A 127 43.117 2.123 10.971 1.00 11.02 C ATOM 1900 CG GLU A 127 43.378 3.342 11.839 1.00 14.01 C ATOM 1901 CD GLU A 127 44.174 3.011 13.087 1.00 3.05 C ATOM 1902 OE1 GLU A 127 45.420 3.025 13.016 1.00 15.22 O ATOM 1903 OE2 GLU A 127 43.550 2.737 14.133 1.00 25.34 O1- ATOM 0 H GLU A 127 40.860 2.226 9.796 1.00 3.11 H new ATOM 0 HA GLU A 127 43.504 3.343 9.246 1.00 3.11 H new ATOM 0 HB2 GLU A 127 42.229 1.609 11.339 1.00 11.02 H new ATOM 0 HB3 GLU A 127 43.952 1.430 11.072 1.00 11.02 H new ATOM 0 HG2 GLU A 127 43.917 4.089 11.257 1.00 14.01 H new ATOM 0 HG3 GLU A 127 42.426 3.788 12.127 1.00 14.01 H new TER 1910 GLU A 127