USER MOD reduce.3.24.130724 H: found=0, std=0, add=1138, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1135 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 25 HIS : no HD1:sc= 1.54 K(o=2.5,f=-16!) USER MOD Set 1.2: A 120 LYS NZ :NH3+ 141:sc= 0.991 (180deg=-0.0299) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.1 (180deg=0.641) USER MOD Single : A 9 THR OG1 : rot 115:sc= -0.104 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.202 K(o=-0.2,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ -172:sc=-0.00911 (180deg=-0.116) USER MOD Single : A 28 ASN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -120:sc= -0.273 USER MOD Single : A 34 THR OG1 : rot -166:sc= 0.183 USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= 0.326 (180deg=-0.165) USER MOD Single : A 37 LYS NZ :NH3+ -145:sc= 0.952 (180deg=-0.294) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0245) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 153:sc= -0.512 (180deg=-1.27) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.15) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.21) USER MOD Single : A 72 TYR OH : rot -98:sc= 0.311 USER MOD Single : A 74 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.0049) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0.102 (180deg=0.0694) USER MOD Single : A 86 SER OG : rot -170:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.00256 X(o=0.0026,f=-0.12) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -113:sc= 0.987 (180deg=0.0117!) USER MOD Single : A 100 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0302) USER MOD Single : A 101 LYS NZ :NH3+ -113:sc= -0.697 (180deg=-1.09) USER MOD Single : A 102 LYS NZ :NH3+ 171:sc= 0.4 (180deg=0.292) USER MOD Single : A 104 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 107 TYR OH : rot 117:sc= -0.894! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -24:sc= -0.147 USER MOD Single : A 111 ASN :FLIP amide:sc= -0.063 F(o=-2.1!,f=-0.063) USER MOD Single : A 116 LYS NZ :NH3+ -108:sc= 0.226 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.2) USER MOD Single : A 118 LYS NZ :NH3+ 155:sc= 0.19 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 13:sc= 1.18 USER MOD Single : A 128 SER OG : rot -110:sc= -0.0384 USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HE2:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 134 HIS : no HE2:sc= 0.0771 X(o=0.077,f=-0.4) USER MOD Single : A 135 HIS : no HD1:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 136 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.824 -0.409 16.798 1.00 64.22 N ATOM 2 CA MET A 1 4.686 -0.856 15.963 1.00 23.12 C ATOM 3 C MET A 1 5.073 -0.768 14.487 1.00 4.24 C ATOM 4 O MET A 1 5.593 0.261 14.044 1.00 73.43 O ATOM 5 CB MET A 1 3.403 -0.019 16.243 1.00 2.35 C ATOM 6 CG MET A 1 2.885 -0.105 17.687 1.00 34.15 C ATOM 7 SD MET A 1 4.042 0.596 18.893 1.00 51.11 S ATOM 8 CE MET A 1 3.111 0.452 20.418 1.00 23.33 C ATOM 0 H1 MET A 1 5.471 -0.080 17.719 1.00 64.22 H new ATOM 0 H2 MET A 1 6.481 -1.202 16.942 1.00 64.22 H new ATOM 0 H3 MET A 1 6.321 0.370 16.320 1.00 64.22 H new ATOM 0 HA MET A 1 4.458 -1.891 16.219 1.00 23.12 H new ATOM 0 HB2 MET A 1 3.607 1.025 16.006 1.00 2.35 H new ATOM 0 HB3 MET A 1 2.614 -0.351 15.568 1.00 2.35 H new ATOM 0 HG2 MET A 1 1.932 0.419 17.758 1.00 34.15 H new ATOM 0 HG3 MET A 1 2.694 -1.148 17.938 1.00 34.15 H new ATOM 0 HE1 MET A 1 3.703 0.846 21.244 1.00 23.33 H new ATOM 0 HE2 MET A 1 2.184 1.019 20.333 1.00 23.33 H new ATOM 0 HE3 MET A 1 2.879 -0.597 20.605 1.00 23.33 H new ATOM 20 N GLY A 2 4.845 -1.863 13.741 1.00 13.25 N ATOM 21 CA GLY A 2 5.086 -1.892 12.298 1.00 41.20 C ATOM 22 C GLY A 2 3.916 -1.316 11.521 1.00 12.11 C ATOM 23 O GLY A 2 2.805 -1.186 12.055 1.00 75.10 O ATOM 0 H GLY A 2 4.492 -2.741 14.121 1.00 13.25 H new ATOM 0 HA2 GLY A 2 5.989 -1.326 12.069 1.00 41.20 H new ATOM 0 HA3 GLY A 2 5.264 -2.919 11.979 1.00 41.20 H new ATOM 27 N VAL A 3 4.162 -0.967 10.257 1.00 52.12 N ATOM 28 CA VAL A 3 3.161 -0.359 9.360 1.00 32.53 C ATOM 29 C VAL A 3 3.258 -1.040 7.987 1.00 52.20 C ATOM 30 O VAL A 3 4.357 -1.363 7.535 1.00 4.44 O ATOM 31 CB VAL A 3 3.392 1.203 9.238 1.00 51.30 C ATOM 32 CG1 VAL A 3 2.473 1.857 8.180 1.00 13.22 C ATOM 33 CG2 VAL A 3 3.226 1.899 10.613 1.00 41.41 C ATOM 0 H VAL A 3 5.072 -1.098 9.816 1.00 52.12 H new ATOM 0 HA VAL A 3 2.161 -0.506 9.769 1.00 32.53 H new ATOM 0 HB VAL A 3 4.419 1.342 8.899 1.00 51.30 H new ATOM 0 HG11 VAL A 3 2.672 2.928 8.137 1.00 13.22 H new ATOM 0 HG12 VAL A 3 2.668 1.412 7.204 1.00 13.22 H new ATOM 0 HG13 VAL A 3 1.430 1.693 8.452 1.00 13.22 H new ATOM 0 HG21 VAL A 3 3.390 2.971 10.500 1.00 41.41 H new ATOM 0 HG22 VAL A 3 2.219 1.724 10.990 1.00 41.41 H new ATOM 0 HG23 VAL A 3 3.953 1.493 11.317 1.00 41.41 H new ATOM 43 N VAL A 4 2.106 -1.306 7.347 1.00 35.32 N ATOM 44 CA VAL A 4 2.046 -1.889 5.998 1.00 24.23 C ATOM 45 C VAL A 4 1.162 -0.994 5.113 1.00 12.20 C ATOM 46 O VAL A 4 -0.043 -0.863 5.362 1.00 4.11 O ATOM 47 CB VAL A 4 1.493 -3.368 6.023 1.00 74.12 C ATOM 48 CG1 VAL A 4 1.516 -4.006 4.619 1.00 64.34 C ATOM 49 CG2 VAL A 4 2.263 -4.253 7.037 1.00 62.30 C ATOM 0 H VAL A 4 1.189 -1.122 7.753 1.00 35.32 H new ATOM 0 HA VAL A 4 3.056 -1.937 5.590 1.00 24.23 H new ATOM 0 HB VAL A 4 0.455 -3.310 6.351 1.00 74.12 H new ATOM 0 HG11 VAL A 4 1.128 -5.023 4.675 1.00 64.34 H new ATOM 0 HG12 VAL A 4 0.896 -3.418 3.942 1.00 64.34 H new ATOM 0 HG13 VAL A 4 2.540 -4.028 4.246 1.00 64.34 H new ATOM 0 HG21 VAL A 4 1.852 -5.263 7.024 1.00 62.30 H new ATOM 0 HG22 VAL A 4 3.318 -4.287 6.763 1.00 62.30 H new ATOM 0 HG23 VAL A 4 2.161 -3.833 8.038 1.00 62.30 H new ATOM 59 N ILE A 5 1.780 -0.353 4.111 1.00 55.12 N ATOM 60 CA ILE A 5 1.099 0.547 3.172 1.00 14.51 C ATOM 61 C ILE A 5 0.870 -0.207 1.839 1.00 5.21 C ATOM 62 O ILE A 5 1.811 -0.437 1.089 1.00 43.14 O ATOM 63 CB ILE A 5 1.965 1.849 2.931 1.00 41.31 C ATOM 64 CG1 ILE A 5 2.332 2.534 4.294 1.00 45.15 C ATOM 65 CG2 ILE A 5 1.250 2.840 1.975 1.00 61.30 C ATOM 66 CD1 ILE A 5 3.314 3.694 4.189 1.00 64.41 C ATOM 0 H ILE A 5 2.779 -0.447 3.928 1.00 55.12 H new ATOM 0 HA ILE A 5 0.139 0.855 3.587 1.00 14.51 H new ATOM 0 HB ILE A 5 2.893 1.547 2.446 1.00 41.31 H new ATOM 0 HG12 ILE A 5 1.415 2.895 4.760 1.00 45.15 H new ATOM 0 HG13 ILE A 5 2.753 1.781 4.960 1.00 45.15 H new ATOM 0 HG21 ILE A 5 1.874 3.722 1.833 1.00 61.30 H new ATOM 0 HG22 ILE A 5 1.079 2.358 1.013 1.00 61.30 H new ATOM 0 HG23 ILE A 5 0.295 3.137 2.407 1.00 61.30 H new ATOM 0 HD11 ILE A 5 3.504 4.101 5.182 1.00 64.41 H new ATOM 0 HD12 ILE A 5 4.250 3.340 3.756 1.00 64.41 H new ATOM 0 HD13 ILE A 5 2.891 4.472 3.553 1.00 64.41 H new ATOM 78 N LEU A 6 -0.385 -0.582 1.559 1.00 3.43 N ATOM 79 CA LEU A 6 -0.761 -1.303 0.333 1.00 60.54 C ATOM 80 C LEU A 6 -1.258 -0.304 -0.708 1.00 71.41 C ATOM 81 O LEU A 6 -2.370 0.197 -0.598 1.00 62.11 O ATOM 82 CB LEU A 6 -1.885 -2.317 0.650 1.00 73.12 C ATOM 83 CG LEU A 6 -1.631 -3.259 1.846 1.00 54.44 C ATOM 84 CD1 LEU A 6 -2.862 -4.119 2.131 1.00 14.51 C ATOM 85 CD2 LEU A 6 -0.395 -4.120 1.612 1.00 62.40 C ATOM 0 H LEU A 6 -1.173 -0.393 2.179 1.00 3.43 H new ATOM 0 HA LEU A 6 0.107 -1.836 -0.055 1.00 60.54 H new ATOM 0 HB2 LEU A 6 -2.804 -1.763 0.839 1.00 73.12 H new ATOM 0 HB3 LEU A 6 -2.057 -2.927 -0.237 1.00 73.12 H new ATOM 0 HG LEU A 6 -1.442 -2.645 2.727 1.00 54.44 H new ATOM 0 HD11 LEU A 6 -2.660 -4.775 2.978 1.00 14.51 H new ATOM 0 HD12 LEU A 6 -3.709 -3.475 2.365 1.00 14.51 H new ATOM 0 HD13 LEU A 6 -3.096 -4.721 1.253 1.00 14.51 H new ATOM 0 HD21 LEU A 6 -0.239 -4.774 2.470 1.00 62.40 H new ATOM 0 HD22 LEU A 6 -0.537 -4.724 0.716 1.00 62.40 H new ATOM 0 HD23 LEU A 6 0.476 -3.478 1.482 1.00 62.40 H new ATOM 97 N VAL A 7 -0.424 -0.007 -1.704 1.00 12.54 N ATOM 98 CA VAL A 7 -0.777 0.935 -2.766 1.00 1.02 C ATOM 99 C VAL A 7 -1.225 0.149 -4.016 1.00 15.30 C ATOM 100 O VAL A 7 -0.400 -0.426 -4.733 1.00 23.43 O ATOM 101 CB VAL A 7 0.429 1.890 -3.086 1.00 62.15 C ATOM 102 CG1 VAL A 7 0.053 2.941 -4.156 1.00 24.43 C ATOM 103 CG2 VAL A 7 0.937 2.579 -1.799 1.00 62.11 C ATOM 0 H VAL A 7 0.509 -0.409 -1.798 1.00 12.54 H new ATOM 0 HA VAL A 7 -1.604 1.563 -2.435 1.00 1.02 H new ATOM 0 HB VAL A 7 1.235 1.279 -3.493 1.00 62.15 H new ATOM 0 HG11 VAL A 7 0.911 3.584 -4.352 1.00 24.43 H new ATOM 0 HG12 VAL A 7 -0.239 2.435 -5.076 1.00 24.43 H new ATOM 0 HG13 VAL A 7 -0.779 3.546 -3.795 1.00 24.43 H new ATOM 0 HG21 VAL A 7 1.772 3.236 -2.043 1.00 62.11 H new ATOM 0 HG22 VAL A 7 0.131 3.166 -1.358 1.00 62.11 H new ATOM 0 HG23 VAL A 7 1.267 1.822 -1.087 1.00 62.11 H new ATOM 113 N LEU A 8 -2.551 0.145 -4.257 1.00 23.52 N ATOM 114 CA LEU A 8 -3.168 -0.504 -5.418 1.00 63.45 C ATOM 115 C LEU A 8 -3.134 0.505 -6.572 1.00 31.12 C ATOM 116 O LEU A 8 -3.866 1.478 -6.550 1.00 42.21 O ATOM 117 CB LEU A 8 -4.651 -0.923 -5.118 1.00 31.21 C ATOM 118 CG LEU A 8 -4.879 -2.101 -4.104 1.00 13.44 C ATOM 119 CD1 LEU A 8 -4.463 -1.728 -2.669 1.00 73.11 C ATOM 120 CD2 LEU A 8 -6.344 -2.592 -4.148 1.00 22.13 C ATOM 0 H LEU A 8 -3.226 0.599 -3.641 1.00 23.52 H new ATOM 0 HA LEU A 8 -2.621 -1.413 -5.669 1.00 63.45 H new ATOM 0 HB2 LEU A 8 -5.179 -0.047 -4.741 1.00 31.21 H new ATOM 0 HB3 LEU A 8 -5.121 -1.196 -6.063 1.00 31.21 H new ATOM 0 HG LEU A 8 -4.232 -2.920 -4.417 1.00 13.44 H new ATOM 0 HD11 LEU A 8 -4.640 -2.576 -2.007 1.00 73.11 H new ATOM 0 HD12 LEU A 8 -3.404 -1.470 -2.653 1.00 73.11 H new ATOM 0 HD13 LEU A 8 -5.050 -0.874 -2.330 1.00 73.11 H new ATOM 0 HD21 LEU A 8 -6.476 -3.408 -3.437 1.00 22.13 H new ATOM 0 HD22 LEU A 8 -7.011 -1.771 -3.886 1.00 22.13 H new ATOM 0 HD23 LEU A 8 -6.580 -2.944 -5.152 1.00 22.13 H new ATOM 132 N THR A 9 -2.269 0.267 -7.566 1.00 32.13 N ATOM 133 CA THR A 9 -2.049 1.205 -8.675 1.00 62.22 C ATOM 134 C THR A 9 -2.721 0.680 -9.952 1.00 3.03 C ATOM 135 O THR A 9 -2.643 -0.513 -10.265 1.00 14.13 O ATOM 136 CB THR A 9 -0.516 1.411 -8.931 1.00 74.34 C ATOM 137 OG1 THR A 9 0.119 0.139 -9.140 1.00 74.23 O ATOM 138 CG2 THR A 9 0.184 2.141 -7.772 1.00 33.12 C ATOM 0 H THR A 9 -1.703 -0.579 -7.625 1.00 32.13 H new ATOM 0 HA THR A 9 -2.490 2.164 -8.404 1.00 62.22 H new ATOM 0 HB THR A 9 -0.423 2.035 -9.820 1.00 74.34 H new ATOM 0 HG1 THR A 9 0.460 0.090 -10.058 1.00 74.23 H new ATOM 0 HG21 THR A 9 1.243 2.257 -8.002 1.00 33.12 H new ATOM 0 HG22 THR A 9 -0.267 3.124 -7.635 1.00 33.12 H new ATOM 0 HG23 THR A 9 0.073 1.560 -6.856 1.00 33.12 H new ATOM 146 N GLY A 10 -3.366 1.608 -10.688 1.00 33.13 N ATOM 147 CA GLY A 10 -4.088 1.293 -11.929 1.00 54.01 C ATOM 148 C GLY A 10 -3.164 0.941 -13.081 1.00 52.24 C ATOM 149 O GLY A 10 -3.614 0.424 -14.106 1.00 44.32 O ATOM 0 H GLY A 10 -3.399 2.596 -10.435 1.00 33.13 H new ATOM 0 HA2 GLY A 10 -4.766 0.459 -11.747 1.00 54.01 H new ATOM 0 HA3 GLY A 10 -4.703 2.147 -12.212 1.00 54.01 H new ATOM 153 N ASP A 11 -1.866 1.240 -12.910 1.00 25.31 N ATOM 154 CA ASP A 11 -0.800 0.856 -13.841 1.00 34.54 C ATOM 155 C ASP A 11 0.389 0.294 -13.054 1.00 31.33 C ATOM 156 O ASP A 11 0.753 0.832 -11.999 1.00 34.41 O ATOM 157 CB ASP A 11 -0.373 2.068 -14.699 1.00 53.32 C ATOM 158 CG ASP A 11 0.831 1.785 -15.621 1.00 35.22 C ATOM 159 OD1 ASP A 11 0.646 1.190 -16.698 1.00 73.44 O ATOM 160 OD2 ASP A 11 1.971 2.154 -15.269 1.00 0.31 O ATOM 0 H ASP A 11 -1.525 1.765 -12.105 1.00 25.31 H new ATOM 0 HA ASP A 11 -1.170 0.083 -14.515 1.00 34.54 H new ATOM 0 HB2 ASP A 11 -1.219 2.386 -15.309 1.00 53.32 H new ATOM 0 HB3 ASP A 11 -0.126 2.899 -14.039 1.00 53.32 H new ATOM 165 N GLU A 12 1.000 -0.763 -13.605 1.00 72.35 N ATOM 166 CA GLU A 12 2.082 -1.524 -12.957 1.00 2.42 C ATOM 167 C GLU A 12 3.355 -0.666 -12.749 1.00 51.41 C ATOM 168 O GLU A 12 4.019 -0.758 -11.714 1.00 34.14 O ATOM 169 CB GLU A 12 2.428 -2.757 -13.830 1.00 51.32 C ATOM 170 CG GLU A 12 3.451 -3.731 -13.212 1.00 52.35 C ATOM 171 CD GLU A 12 2.872 -4.564 -12.058 1.00 63.44 C ATOM 172 OE1 GLU A 12 2.339 -5.660 -12.322 1.00 11.11 O ATOM 173 OE2 GLU A 12 2.947 -4.139 -10.892 1.00 22.53 O ATOM 0 H GLU A 12 0.754 -1.121 -14.528 1.00 72.35 H new ATOM 0 HA GLU A 12 1.731 -1.835 -11.973 1.00 2.42 H new ATOM 0 HB2 GLU A 12 1.509 -3.304 -14.038 1.00 51.32 H new ATOM 0 HB3 GLU A 12 2.815 -2.408 -14.787 1.00 51.32 H new ATOM 0 HG2 GLU A 12 3.818 -4.403 -13.988 1.00 52.35 H new ATOM 0 HG3 GLU A 12 4.309 -3.165 -12.848 1.00 52.35 H new ATOM 180 N ARG A 13 3.683 0.163 -13.754 1.00 62.22 N ATOM 181 CA ARG A 13 4.942 0.939 -13.782 1.00 63.13 C ATOM 182 C ARG A 13 4.853 2.161 -12.838 1.00 64.51 C ATOM 183 O ARG A 13 5.872 2.588 -12.285 1.00 62.14 O ATOM 184 CB ARG A 13 5.265 1.329 -15.255 1.00 41.12 C ATOM 185 CG ARG A 13 6.698 1.871 -15.528 1.00 21.05 C ATOM 186 CD ARG A 13 6.859 3.384 -15.304 1.00 74.01 C ATOM 187 NE ARG A 13 8.235 3.844 -15.554 1.00 31.40 N ATOM 188 CZ ARG A 13 8.586 5.109 -15.842 1.00 62.31 C ATOM 189 NH1 ARG A 13 7.677 6.080 -15.927 1.00 25.14 N ATOM 190 NH2 ARG A 13 9.861 5.394 -16.037 1.00 20.13 N ATOM 0 H ARG A 13 3.088 0.316 -14.568 1.00 62.22 H new ATOM 0 HA ARG A 13 5.767 0.332 -13.410 1.00 63.13 H new ATOM 0 HB2 ARG A 13 5.105 0.453 -15.883 1.00 41.12 H new ATOM 0 HB3 ARG A 13 4.547 2.085 -15.574 1.00 41.12 H new ATOM 0 HG2 ARG A 13 7.401 1.344 -14.883 1.00 21.05 H new ATOM 0 HG3 ARG A 13 6.972 1.637 -16.557 1.00 21.05 H new ATOM 0 HD2 ARG A 13 6.174 3.921 -15.960 1.00 74.01 H new ATOM 0 HD3 ARG A 13 6.577 3.629 -14.280 1.00 74.01 H new ATOM 0 HE ARG A 13 8.980 3.149 -15.505 1.00 31.40 H new ATOM 0 HH11 ARG A 13 6.691 5.870 -15.772 1.00 25.14 H new ATOM 0 HH12 ARG A 13 7.967 7.033 -16.147 1.00 25.14 H new ATOM 0 HH21 ARG A 13 10.564 4.658 -15.968 1.00 20.13 H new ATOM 0 HH22 ARG A 13 10.142 6.350 -16.256 1.00 20.13 H new ATOM 204 N ILE A 14 3.624 2.698 -12.649 1.00 42.32 N ATOM 205 CA ILE A 14 3.358 3.791 -11.677 1.00 71.30 C ATOM 206 C ILE A 14 3.749 3.346 -10.251 1.00 55.10 C ATOM 207 O ILE A 14 4.275 4.143 -9.472 1.00 72.20 O ATOM 208 CB ILE A 14 1.849 4.283 -11.728 1.00 32.22 C ATOM 209 CG1 ILE A 14 1.548 4.951 -13.115 1.00 52.15 C ATOM 210 CG2 ILE A 14 1.493 5.248 -10.555 1.00 23.42 C ATOM 211 CD1 ILE A 14 0.131 5.473 -13.291 1.00 42.13 C ATOM 0 H ILE A 14 2.796 2.391 -13.159 1.00 42.32 H new ATOM 0 HA ILE A 14 3.976 4.643 -11.961 1.00 71.30 H new ATOM 0 HB ILE A 14 1.215 3.405 -11.608 1.00 32.22 H new ATOM 0 HG12 ILE A 14 2.243 5.778 -13.260 1.00 52.15 H new ATOM 0 HG13 ILE A 14 1.750 4.224 -13.901 1.00 52.15 H new ATOM 0 HG21 ILE A 14 0.450 5.553 -10.639 1.00 23.42 H new ATOM 0 HG22 ILE A 14 1.646 4.737 -9.604 1.00 23.42 H new ATOM 0 HG23 ILE A 14 2.134 6.129 -10.601 1.00 23.42 H new ATOM 0 HD11 ILE A 14 0.027 5.915 -14.282 1.00 42.13 H new ATOM 0 HD12 ILE A 14 -0.576 4.650 -13.185 1.00 42.13 H new ATOM 0 HD13 ILE A 14 -0.075 6.229 -12.533 1.00 42.13 H new ATOM 223 N ALA A 15 3.533 2.050 -9.956 1.00 72.40 N ATOM 224 CA ALA A 15 3.937 1.430 -8.680 1.00 74.02 C ATOM 225 C ALA A 15 5.463 1.579 -8.427 1.00 20.11 C ATOM 226 O ALA A 15 5.888 1.830 -7.295 1.00 12.00 O ATOM 227 CB ALA A 15 3.518 -0.044 -8.664 1.00 14.53 C ATOM 0 H ALA A 15 3.073 1.403 -10.596 1.00 72.40 H new ATOM 0 HA ALA A 15 3.428 1.952 -7.870 1.00 74.02 H new ATOM 0 HB1 ALA A 15 3.819 -0.497 -7.720 1.00 14.53 H new ATOM 0 HB2 ALA A 15 2.436 -0.116 -8.773 1.00 14.53 H new ATOM 0 HB3 ALA A 15 4.001 -0.569 -9.488 1.00 14.53 H new ATOM 233 N GLU A 16 6.263 1.444 -9.505 1.00 32.22 N ATOM 234 CA GLU A 16 7.731 1.617 -9.469 1.00 10.02 C ATOM 235 C GLU A 16 8.121 3.106 -9.280 1.00 62.15 C ATOM 236 O GLU A 16 9.067 3.407 -8.552 1.00 55.23 O ATOM 237 CB GLU A 16 8.364 1.060 -10.774 1.00 23.11 C ATOM 238 CG GLU A 16 9.889 1.270 -10.883 1.00 43.12 C ATOM 239 CD GLU A 16 10.471 0.793 -12.220 1.00 54.31 C ATOM 240 OE1 GLU A 16 10.206 1.442 -13.257 1.00 2.14 O ATOM 241 OE2 GLU A 16 11.203 -0.228 -12.248 1.00 13.43 O ATOM 0 H GLU A 16 5.906 1.210 -10.432 1.00 32.22 H new ATOM 0 HA GLU A 16 8.115 1.059 -8.615 1.00 10.02 H new ATOM 0 HB2 GLU A 16 8.151 -0.007 -10.840 1.00 23.11 H new ATOM 0 HB3 GLU A 16 7.882 1.535 -11.629 1.00 23.11 H new ATOM 0 HG2 GLU A 16 10.114 2.329 -10.754 1.00 43.12 H new ATOM 0 HG3 GLU A 16 10.382 0.738 -10.069 1.00 43.12 H new ATOM 248 N GLU A 17 7.383 4.016 -9.945 1.00 0.14 N ATOM 249 CA GLU A 17 7.654 5.476 -9.899 1.00 61.30 C ATOM 250 C GLU A 17 7.459 6.024 -8.474 1.00 33.51 C ATOM 251 O GLU A 17 8.267 6.828 -7.983 1.00 60.31 O ATOM 252 CB GLU A 17 6.729 6.216 -10.890 1.00 52.31 C ATOM 253 CG GLU A 17 6.913 5.777 -12.351 1.00 33.00 C ATOM 254 CD GLU A 17 5.967 6.502 -13.310 1.00 14.32 C ATOM 255 OE1 GLU A 17 6.231 7.674 -13.632 1.00 45.15 O ATOM 256 OE2 GLU A 17 4.957 5.919 -13.753 1.00 4.24 O ATOM 0 H GLU A 17 6.584 3.767 -10.528 1.00 0.14 H new ATOM 0 HA GLU A 17 8.691 5.645 -10.188 1.00 61.30 H new ATOM 0 HB2 GLU A 17 5.692 6.051 -10.598 1.00 52.31 H new ATOM 0 HB3 GLU A 17 6.914 7.288 -10.816 1.00 52.31 H new ATOM 0 HG2 GLU A 17 7.943 5.962 -12.655 1.00 33.00 H new ATOM 0 HG3 GLU A 17 6.747 4.702 -12.427 1.00 33.00 H new ATOM 263 N LEU A 18 6.383 5.553 -7.824 1.00 43.13 N ATOM 264 CA LEU A 18 6.077 5.871 -6.422 1.00 65.44 C ATOM 265 C LEU A 18 7.163 5.287 -5.505 1.00 54.22 C ATOM 266 O LEU A 18 7.636 5.970 -4.600 1.00 3.12 O ATOM 267 CB LEU A 18 4.686 5.307 -6.029 1.00 44.13 C ATOM 268 CG LEU A 18 3.475 5.828 -6.861 1.00 43.15 C ATOM 269 CD1 LEU A 18 2.175 5.124 -6.428 1.00 1.45 C ATOM 270 CD2 LEU A 18 3.353 7.365 -6.780 1.00 22.25 C ATOM 0 H LEU A 18 5.697 4.937 -8.260 1.00 43.13 H new ATOM 0 HA LEU A 18 6.056 6.954 -6.305 1.00 65.44 H new ATOM 0 HB2 LEU A 18 4.719 4.221 -6.115 1.00 44.13 H new ATOM 0 HB3 LEU A 18 4.506 5.538 -4.979 1.00 44.13 H new ATOM 0 HG LEU A 18 3.651 5.581 -7.908 1.00 43.15 H new ATOM 0 HD11 LEU A 18 1.342 5.502 -7.021 1.00 1.45 H new ATOM 0 HD12 LEU A 18 2.274 4.050 -6.584 1.00 1.45 H new ATOM 0 HD13 LEU A 18 1.988 5.322 -5.372 1.00 1.45 H new ATOM 0 HD21 LEU A 18 2.498 7.694 -7.371 1.00 22.25 H new ATOM 0 HD22 LEU A 18 3.212 7.665 -5.741 1.00 22.25 H new ATOM 0 HD23 LEU A 18 4.262 7.823 -7.170 1.00 22.25 H new ATOM 282 N ARG A 19 7.559 4.028 -5.805 1.00 22.42 N ATOM 283 CA ARG A 19 8.589 3.276 -5.055 1.00 23.10 C ATOM 284 C ARG A 19 9.903 4.056 -4.959 1.00 30.44 C ATOM 285 O ARG A 19 10.467 4.195 -3.874 1.00 25.11 O ATOM 286 CB ARG A 19 8.861 1.912 -5.738 1.00 71.44 C ATOM 287 CG ARG A 19 9.892 1.039 -5.004 1.00 23.22 C ATOM 288 CD ARG A 19 10.274 -0.231 -5.772 1.00 23.32 C ATOM 289 NE ARG A 19 11.195 0.051 -6.895 1.00 61.54 N ATOM 290 CZ ARG A 19 12.286 -0.679 -7.189 1.00 24.44 C ATOM 291 NH1 ARG A 19 12.608 -1.747 -6.465 1.00 63.22 N ATOM 292 NH2 ARG A 19 13.059 -0.333 -8.201 1.00 52.44 N ATOM 0 H ARG A 19 7.166 3.500 -6.585 1.00 22.42 H new ATOM 0 HA ARG A 19 8.205 3.119 -4.047 1.00 23.10 H new ATOM 0 HB2 ARG A 19 7.923 1.362 -5.814 1.00 71.44 H new ATOM 0 HB3 ARG A 19 9.210 2.090 -6.755 1.00 71.44 H new ATOM 0 HG2 ARG A 19 10.791 1.628 -4.821 1.00 23.22 H new ATOM 0 HG3 ARG A 19 9.491 0.758 -4.030 1.00 23.22 H new ATOM 0 HD2 ARG A 19 10.743 -0.939 -5.089 1.00 23.32 H new ATOM 0 HD3 ARG A 19 9.372 -0.707 -6.155 1.00 23.32 H new ATOM 0 HE ARG A 19 10.988 0.855 -7.488 1.00 61.54 H new ATOM 0 HH11 ARG A 19 12.025 -2.022 -5.675 1.00 63.22 H new ATOM 0 HH12 ARG A 19 13.438 -2.291 -6.700 1.00 63.22 H new ATOM 0 HH21 ARG A 19 12.829 0.488 -8.761 1.00 52.44 H new ATOM 0 HH22 ARG A 19 13.886 -0.887 -8.424 1.00 52.44 H new ATOM 306 N LYS A 20 10.349 4.566 -6.120 1.00 62.20 N ATOM 307 CA LYS A 20 11.596 5.331 -6.249 1.00 52.10 C ATOM 308 C LYS A 20 11.587 6.545 -5.309 1.00 33.23 C ATOM 309 O LYS A 20 12.600 6.860 -4.684 1.00 73.54 O ATOM 310 CB LYS A 20 11.788 5.799 -7.710 1.00 62.53 C ATOM 311 CG LYS A 20 12.019 4.669 -8.741 1.00 12.42 C ATOM 312 CD LYS A 20 12.097 5.211 -10.191 1.00 42.24 C ATOM 313 CE LYS A 20 13.224 6.249 -10.389 1.00 31.30 C ATOM 314 NZ LYS A 20 13.255 6.797 -11.774 1.00 71.43 N ATOM 0 H LYS A 20 9.848 4.456 -7.002 1.00 62.20 H new ATOM 0 HA LYS A 20 12.426 4.681 -5.971 1.00 52.10 H new ATOM 0 HB2 LYS A 20 10.908 6.368 -8.010 1.00 62.53 H new ATOM 0 HB3 LYS A 20 12.637 6.481 -7.747 1.00 62.53 H new ATOM 0 HG2 LYS A 20 12.943 4.143 -8.501 1.00 12.42 H new ATOM 0 HG3 LYS A 20 11.210 3.942 -8.669 1.00 12.42 H new ATOM 0 HD2 LYS A 20 12.254 4.378 -10.876 1.00 42.24 H new ATOM 0 HD3 LYS A 20 11.142 5.665 -10.455 1.00 42.24 H new ATOM 0 HE2 LYS A 20 13.090 7.067 -9.681 1.00 31.30 H new ATOM 0 HE3 LYS A 20 14.184 5.786 -10.163 1.00 31.30 H new ATOM 0 HZ1 LYS A 20 14.027 7.488 -11.857 1.00 71.43 H new ATOM 0 HZ2 LYS A 20 13.410 6.022 -12.450 1.00 71.43 H new ATOM 0 HZ3 LYS A 20 12.349 7.263 -11.983 1.00 71.43 H new ATOM 328 N GLU A 21 10.413 7.186 -5.206 1.00 53.10 N ATOM 329 CA GLU A 21 10.228 8.396 -4.399 1.00 21.32 C ATOM 330 C GLU A 21 10.189 8.032 -2.891 1.00 73.52 C ATOM 331 O GLU A 21 10.726 8.771 -2.071 1.00 12.20 O ATOM 332 CB GLU A 21 8.954 9.160 -4.873 1.00 53.15 C ATOM 333 CG GLU A 21 8.931 10.676 -4.557 1.00 14.01 C ATOM 334 CD GLU A 21 8.878 11.026 -3.064 1.00 52.45 C ATOM 335 OE1 GLU A 21 7.972 10.533 -2.376 1.00 4.13 O ATOM 336 OE2 GLU A 21 9.739 11.788 -2.568 1.00 10.31 O ATOM 0 H GLU A 21 9.565 6.877 -5.682 1.00 53.10 H new ATOM 0 HA GLU A 21 11.074 9.069 -4.538 1.00 21.32 H new ATOM 0 HB2 GLU A 21 8.853 9.029 -5.950 1.00 53.15 H new ATOM 0 HB3 GLU A 21 8.081 8.697 -4.412 1.00 53.15 H new ATOM 0 HG2 GLU A 21 9.819 11.136 -4.991 1.00 14.01 H new ATOM 0 HG3 GLU A 21 8.067 11.122 -5.050 1.00 14.01 H new ATOM 343 N VAL A 22 9.579 6.874 -2.549 1.00 63.32 N ATOM 344 CA VAL A 22 9.564 6.337 -1.162 1.00 53.31 C ATOM 345 C VAL A 22 11.007 6.160 -0.631 1.00 62.23 C ATOM 346 O VAL A 22 11.292 6.444 0.533 1.00 34.33 O ATOM 347 CB VAL A 22 8.800 4.958 -1.106 1.00 32.01 C ATOM 348 CG1 VAL A 22 8.858 4.310 0.296 1.00 51.42 C ATOM 349 CG2 VAL A 22 7.338 5.119 -1.559 1.00 22.02 C ATOM 0 H VAL A 22 9.085 6.286 -3.220 1.00 63.32 H new ATOM 0 HA VAL A 22 9.041 7.054 -0.529 1.00 53.31 H new ATOM 0 HB VAL A 22 9.312 4.288 -1.797 1.00 32.01 H new ATOM 0 HG11 VAL A 22 8.318 3.363 0.282 1.00 51.42 H new ATOM 0 HG12 VAL A 22 9.897 4.131 0.571 1.00 51.42 H new ATOM 0 HG13 VAL A 22 8.400 4.978 1.025 1.00 51.42 H new ATOM 0 HG21 VAL A 22 6.834 4.154 -1.511 1.00 22.02 H new ATOM 0 HG22 VAL A 22 6.830 5.827 -0.904 1.00 22.02 H new ATOM 0 HG23 VAL A 22 7.313 5.491 -2.583 1.00 22.02 H new ATOM 359 N GLN A 23 11.895 5.719 -1.536 1.00 12.31 N ATOM 360 CA GLN A 23 13.329 5.512 -1.255 1.00 43.43 C ATOM 361 C GLN A 23 14.056 6.864 -1.039 1.00 60.55 C ATOM 362 O GLN A 23 15.030 6.941 -0.281 1.00 65.31 O ATOM 363 CB GLN A 23 13.959 4.703 -2.424 1.00 20.02 C ATOM 364 CG GLN A 23 13.282 3.331 -2.661 1.00 24.23 C ATOM 365 CD GLN A 23 13.713 2.608 -3.946 1.00 72.44 C ATOM 366 OE1 GLN A 23 14.075 3.232 -4.942 1.00 24.43 O ATOM 367 NE2 GLN A 23 13.659 1.281 -3.938 1.00 12.23 N ATOM 0 H GLN A 23 11.636 5.493 -2.496 1.00 12.31 H new ATOM 0 HA GLN A 23 13.441 4.945 -0.331 1.00 43.43 H new ATOM 0 HB2 GLN A 23 13.897 5.293 -3.339 1.00 20.02 H new ATOM 0 HB3 GLN A 23 15.018 4.546 -2.218 1.00 20.02 H new ATOM 0 HG2 GLN A 23 13.496 2.685 -1.809 1.00 24.23 H new ATOM 0 HG3 GLN A 23 12.202 3.475 -2.688 1.00 24.23 H new ATOM 0 HE21 GLN A 23 13.355 0.788 -3.098 1.00 12.23 H new ATOM 0 HE22 GLN A 23 13.921 0.755 -4.771 1.00 12.23 H new ATOM 376 N LYS A 24 13.558 7.926 -1.711 1.00 63.31 N ATOM 377 CA LYS A 24 14.090 9.304 -1.584 1.00 53.41 C ATOM 378 C LYS A 24 13.615 9.955 -0.272 1.00 74.43 C ATOM 379 O LYS A 24 14.370 10.697 0.376 1.00 71.05 O ATOM 380 CB LYS A 24 13.629 10.168 -2.790 1.00 75.43 C ATOM 381 CG LYS A 24 14.108 9.654 -4.162 1.00 42.55 C ATOM 382 CD LYS A 24 13.536 10.472 -5.345 1.00 74.24 C ATOM 383 CE LYS A 24 13.993 9.931 -6.706 1.00 73.02 C ATOM 384 NZ LYS A 24 15.476 9.980 -6.852 1.00 13.11 N ATOM 0 H LYS A 24 12.774 7.853 -2.359 1.00 63.31 H new ATOM 0 HA LYS A 24 15.179 9.248 -1.573 1.00 53.41 H new ATOM 0 HB2 LYS A 24 12.540 10.214 -2.793 1.00 75.43 H new ATOM 0 HB3 LYS A 24 13.991 11.187 -2.651 1.00 75.43 H new ATOM 0 HG2 LYS A 24 15.197 9.687 -4.197 1.00 42.55 H new ATOM 0 HG3 LYS A 24 13.817 8.610 -4.275 1.00 42.55 H new ATOM 0 HD2 LYS A 24 12.447 10.459 -5.299 1.00 74.24 H new ATOM 0 HD3 LYS A 24 13.847 11.512 -5.248 1.00 74.24 H new ATOM 0 HE2 LYS A 24 13.650 8.903 -6.822 1.00 73.02 H new ATOM 0 HE3 LYS A 24 13.530 10.513 -7.503 1.00 73.02 H new ATOM 0 HZ1 LYS A 24 15.737 9.735 -7.829 1.00 13.11 H new ATOM 0 HZ2 LYS A 24 15.815 10.938 -6.633 1.00 13.11 H new ATOM 0 HZ3 LYS A 24 15.912 9.300 -6.197 1.00 13.11 H new ATOM 398 N HIS A 25 12.360 9.662 0.107 1.00 50.35 N ATOM 399 CA HIS A 25 11.732 10.204 1.323 1.00 33.14 C ATOM 400 C HIS A 25 12.386 9.581 2.568 1.00 23.25 C ATOM 401 O HIS A 25 12.796 10.287 3.488 1.00 32.00 O ATOM 402 CB HIS A 25 10.197 9.943 1.296 1.00 65.44 C ATOM 403 CG HIS A 25 9.419 10.565 2.441 1.00 55.35 C ATOM 404 ND1 HIS A 25 8.708 11.725 2.270 1.00 42.31 N ATOM 405 CD2 HIS A 25 9.253 10.145 3.722 1.00 61.11 C ATOM 406 CE1 HIS A 25 8.131 11.982 3.422 1.00 11.51 C ATOM 407 NE2 HIS A 25 8.429 11.053 4.333 1.00 63.03 N ATOM 0 H HIS A 25 11.750 9.040 -0.424 1.00 50.35 H new ATOM 0 HA HIS A 25 11.885 11.282 1.362 1.00 33.14 H new ATOM 0 HB2 HIS A 25 9.796 10.322 0.356 1.00 65.44 H new ATOM 0 HB3 HIS A 25 10.027 8.866 1.304 1.00 65.44 H new ATOM 0 HD2 HIS A 25 9.687 9.265 4.172 1.00 61.11 H new ATOM 0 HE1 HIS A 25 7.497 12.836 3.608 1.00 11.51 H new ATOM 0 HE2 HIS A 25 8.105 11.025 5.300 1.00 63.03 H new ATOM 415 N ASP A 26 12.499 8.248 2.569 1.00 4.11 N ATOM 416 CA ASP A 26 13.053 7.502 3.706 1.00 21.14 C ATOM 417 C ASP A 26 13.775 6.234 3.197 1.00 1.20 C ATOM 418 O ASP A 26 13.178 5.444 2.451 1.00 21.44 O ATOM 419 CB ASP A 26 11.924 7.146 4.705 1.00 41.33 C ATOM 420 CG ASP A 26 12.451 6.505 6.002 1.00 15.35 C ATOM 421 OD1 ASP A 26 12.589 5.282 6.066 1.00 13.01 O ATOM 422 OD2 ASP A 26 12.731 7.223 6.968 1.00 4.42 O ATOM 0 H ASP A 26 12.211 7.659 1.788 1.00 4.11 H new ATOM 0 HA ASP A 26 13.782 8.121 4.229 1.00 21.14 H new ATOM 0 HB2 ASP A 26 11.367 8.050 4.953 1.00 41.33 H new ATOM 0 HB3 ASP A 26 11.224 6.461 4.226 1.00 41.33 H new ATOM 427 N PRO A 27 15.072 6.021 3.583 1.00 45.13 N ATOM 428 CA PRO A 27 15.878 4.879 3.092 1.00 30.12 C ATOM 429 C PRO A 27 15.646 3.577 3.891 1.00 0.34 C ATOM 430 O PRO A 27 16.072 2.508 3.451 1.00 3.51 O ATOM 431 CB PRO A 27 17.321 5.415 3.255 1.00 3.32 C ATOM 432 CG PRO A 27 17.269 6.284 4.481 1.00 30.10 C ATOM 433 CD PRO A 27 15.865 6.878 4.523 1.00 21.21 C ATOM 0 HA PRO A 27 15.624 4.586 2.073 1.00 30.12 H new ATOM 0 HB2 PRO A 27 18.035 4.600 3.377 1.00 3.32 H new ATOM 0 HB3 PRO A 27 17.633 5.984 2.379 1.00 3.32 H new ATOM 0 HG2 PRO A 27 17.472 5.702 5.380 1.00 30.10 H new ATOM 0 HG3 PRO A 27 18.023 7.070 4.433 1.00 30.10 H new ATOM 0 HD2 PRO A 27 15.451 6.851 5.531 1.00 21.21 H new ATOM 0 HD3 PRO A 27 15.865 7.921 4.207 1.00 21.21 H new ATOM 441 N ASN A 28 14.963 3.680 5.051 1.00 52.54 N ATOM 442 CA ASN A 28 14.729 2.539 5.968 1.00 31.24 C ATOM 443 C ASN A 28 13.510 1.729 5.500 1.00 32.13 C ATOM 444 O ASN A 28 13.458 0.505 5.692 1.00 23.22 O ATOM 445 CB ASN A 28 14.501 3.020 7.430 1.00 1.44 C ATOM 446 CG ASN A 28 15.533 4.047 7.906 1.00 42.21 C ATOM 447 OD1 ASN A 28 16.602 3.699 8.408 1.00 22.32 O ATOM 448 ND2 ASN A 28 15.212 5.322 7.759 1.00 32.11 N ATOM 0 H ASN A 28 14.557 4.556 5.380 1.00 52.54 H new ATOM 0 HA ASN A 28 15.620 1.911 5.949 1.00 31.24 H new ATOM 0 HB2 ASN A 28 13.505 3.455 7.509 1.00 1.44 H new ATOM 0 HB3 ASN A 28 14.526 2.157 8.096 1.00 1.44 H new ATOM 0 HD21 ASN A 28 15.858 6.049 8.065 1.00 32.11 H new ATOM 0 HD22 ASN A 28 14.318 5.578 7.339 1.00 32.11 H new ATOM 455 N VAL A 29 12.524 2.436 4.902 1.00 71.24 N ATOM 456 CA VAL A 29 11.319 1.813 4.324 1.00 25.43 C ATOM 457 C VAL A 29 11.715 0.881 3.174 1.00 61.40 C ATOM 458 O VAL A 29 12.554 1.237 2.339 1.00 73.25 O ATOM 459 CB VAL A 29 10.285 2.871 3.770 1.00 22.50 C ATOM 460 CG1 VAL A 29 9.004 2.188 3.228 1.00 45.32 C ATOM 461 CG2 VAL A 29 9.915 3.904 4.836 1.00 62.23 C ATOM 0 H VAL A 29 12.544 3.452 4.808 1.00 71.24 H new ATOM 0 HA VAL A 29 10.839 1.261 5.132 1.00 25.43 H new ATOM 0 HB VAL A 29 10.775 3.386 2.944 1.00 22.50 H new ATOM 0 HG11 VAL A 29 8.316 2.947 2.856 1.00 45.32 H new ATOM 0 HG12 VAL A 29 9.269 1.509 2.417 1.00 45.32 H new ATOM 0 HG13 VAL A 29 8.524 1.626 4.029 1.00 45.32 H new ATOM 0 HG21 VAL A 29 9.202 4.616 4.421 1.00 62.23 H new ATOM 0 HG22 VAL A 29 9.467 3.399 5.692 1.00 62.23 H new ATOM 0 HG23 VAL A 29 10.812 4.434 5.156 1.00 62.23 H new ATOM 471 N LYS A 30 11.126 -0.315 3.157 1.00 41.14 N ATOM 472 CA LYS A 30 11.248 -1.256 2.040 1.00 12.22 C ATOM 473 C LYS A 30 9.920 -1.416 1.337 1.00 65.01 C ATOM 474 O LYS A 30 8.860 -1.115 1.891 1.00 61.35 O ATOM 475 CB LYS A 30 11.816 -2.613 2.485 1.00 54.42 C ATOM 476 CG LYS A 30 13.338 -2.567 2.664 1.00 65.02 C ATOM 477 CD LYS A 30 13.978 -3.952 2.720 1.00 62.30 C ATOM 478 CE LYS A 30 13.641 -4.724 3.998 1.00 75.55 C ATOM 479 NZ LYS A 30 14.232 -6.086 3.984 1.00 34.35 N ATOM 0 H LYS A 30 10.547 -0.662 3.922 1.00 41.14 H new ATOM 0 HA LYS A 30 11.963 -0.837 1.332 1.00 12.22 H new ATOM 0 HB2 LYS A 30 11.349 -2.911 3.424 1.00 54.42 H new ATOM 0 HB3 LYS A 30 11.560 -3.373 1.746 1.00 54.42 H new ATOM 0 HG2 LYS A 30 13.777 -2.004 1.841 1.00 65.02 H new ATOM 0 HG3 LYS A 30 13.574 -2.027 3.581 1.00 65.02 H new ATOM 0 HD2 LYS A 30 13.650 -4.531 1.857 1.00 62.30 H new ATOM 0 HD3 LYS A 30 15.060 -3.848 2.641 1.00 62.30 H new ATOM 0 HE2 LYS A 30 14.011 -4.175 4.864 1.00 75.55 H new ATOM 0 HE3 LYS A 30 12.559 -4.797 4.105 1.00 75.55 H new ATOM 0 HZ1 LYS A 30 13.984 -6.581 4.864 1.00 34.35 H new ATOM 0 HZ2 LYS A 30 13.860 -6.618 3.171 1.00 34.35 H new ATOM 0 HZ3 LYS A 30 15.267 -6.015 3.907 1.00 34.35 H new ATOM 493 N THR A 31 9.998 -1.890 0.105 1.00 74.12 N ATOM 494 CA THR A 31 8.862 -1.943 -0.816 1.00 31.13 C ATOM 495 C THR A 31 8.815 -3.309 -1.503 1.00 14.00 C ATOM 496 O THR A 31 9.863 -3.901 -1.786 1.00 74.04 O ATOM 497 CB THR A 31 8.975 -0.796 -1.870 1.00 3.41 C ATOM 498 OG1 THR A 31 10.314 -0.765 -2.386 1.00 1.33 O ATOM 499 CG2 THR A 31 8.631 0.592 -1.292 1.00 13.02 C ATOM 0 H THR A 31 10.862 -2.255 -0.295 1.00 74.12 H new ATOM 0 HA THR A 31 7.937 -1.805 -0.257 1.00 31.13 H new ATOM 0 HB THR A 31 8.250 -1.009 -2.655 1.00 3.41 H new ATOM 0 HG1 THR A 31 10.716 0.109 -2.199 1.00 1.33 H new ATOM 0 HG21 THR A 31 8.728 1.346 -2.073 1.00 13.02 H new ATOM 0 HG22 THR A 31 7.607 0.587 -0.918 1.00 13.02 H new ATOM 0 HG23 THR A 31 9.314 0.826 -0.475 1.00 13.02 H new ATOM 507 N VAL A 32 7.593 -3.818 -1.744 1.00 71.13 N ATOM 508 CA VAL A 32 7.370 -5.140 -2.348 1.00 64.02 C ATOM 509 C VAL A 32 6.444 -4.998 -3.576 1.00 22.21 C ATOM 510 O VAL A 32 5.279 -4.622 -3.422 1.00 72.42 O ATOM 511 CB VAL A 32 6.743 -6.148 -1.307 1.00 44.31 C ATOM 512 CG1 VAL A 32 6.499 -7.533 -1.937 1.00 61.33 C ATOM 513 CG2 VAL A 32 7.623 -6.278 -0.043 1.00 50.22 C ATOM 0 H VAL A 32 6.730 -3.320 -1.524 1.00 71.13 H new ATOM 0 HA VAL A 32 8.333 -5.542 -2.662 1.00 64.02 H new ATOM 0 HB VAL A 32 5.779 -5.737 -1.008 1.00 44.31 H new ATOM 0 HG11 VAL A 32 6.067 -8.201 -1.192 1.00 61.33 H new ATOM 0 HG12 VAL A 32 5.812 -7.434 -2.778 1.00 61.33 H new ATOM 0 HG13 VAL A 32 7.445 -7.945 -2.288 1.00 61.33 H new ATOM 0 HG21 VAL A 32 7.161 -6.980 0.651 1.00 50.22 H new ATOM 0 HG22 VAL A 32 8.611 -6.643 -0.324 1.00 50.22 H new ATOM 0 HG23 VAL A 32 7.718 -5.303 0.436 1.00 50.22 H new ATOM 523 N PRO A 33 6.959 -5.251 -4.825 1.00 74.31 N ATOM 524 CA PRO A 33 6.120 -5.270 -6.051 1.00 64.22 C ATOM 525 C PRO A 33 5.162 -6.488 -6.112 1.00 40.13 C ATOM 526 O PRO A 33 5.261 -7.421 -5.304 1.00 31.41 O ATOM 527 CB PRO A 33 7.168 -5.308 -7.196 1.00 75.22 C ATOM 528 CG PRO A 33 8.381 -5.941 -6.583 1.00 34.34 C ATOM 529 CD PRO A 33 8.399 -5.490 -5.139 1.00 61.23 C ATOM 0 HA PRO A 33 5.450 -4.412 -6.103 1.00 64.22 H new ATOM 0 HB2 PRO A 33 6.806 -5.888 -8.045 1.00 75.22 H new ATOM 0 HB3 PRO A 33 7.388 -4.306 -7.565 1.00 75.22 H new ATOM 0 HG2 PRO A 33 8.332 -7.028 -6.652 1.00 34.34 H new ATOM 0 HG3 PRO A 33 9.288 -5.629 -7.101 1.00 34.34 H new ATOM 0 HD2 PRO A 33 8.830 -6.250 -4.487 1.00 61.23 H new ATOM 0 HD3 PRO A 33 8.993 -4.585 -5.009 1.00 61.23 H new ATOM 537 N THR A 34 4.270 -6.467 -7.118 1.00 51.23 N ATOM 538 CA THR A 34 3.187 -7.461 -7.282 1.00 13.14 C ATOM 539 C THR A 34 3.721 -8.871 -7.617 1.00 13.51 C ATOM 540 O THR A 34 3.110 -9.882 -7.248 1.00 73.01 O ATOM 541 CB THR A 34 2.207 -7.012 -8.409 1.00 44.31 C ATOM 542 OG1 THR A 34 2.898 -7.007 -9.667 1.00 2.24 O ATOM 543 CG2 THR A 34 1.638 -5.611 -8.152 1.00 30.24 C ATOM 0 H THR A 34 4.278 -5.755 -7.848 1.00 51.23 H new ATOM 0 HA THR A 34 2.668 -7.515 -6.325 1.00 13.14 H new ATOM 0 HB THR A 34 1.377 -7.718 -8.424 1.00 44.31 H new ATOM 0 HG1 THR A 34 2.369 -6.515 -10.329 1.00 2.24 H new ATOM 0 HG21 THR A 34 0.961 -5.339 -8.962 1.00 30.24 H new ATOM 0 HG22 THR A 34 1.094 -5.607 -7.207 1.00 30.24 H new ATOM 0 HG23 THR A 34 2.454 -4.890 -8.104 1.00 30.24 H new ATOM 551 N LYS A 35 4.854 -8.918 -8.348 1.00 74.25 N ATOM 552 CA LYS A 35 5.502 -10.185 -8.762 1.00 25.52 C ATOM 553 C LYS A 35 6.055 -10.954 -7.548 1.00 31.14 C ATOM 554 O LYS A 35 6.228 -12.176 -7.600 1.00 33.01 O ATOM 555 CB LYS A 35 6.581 -9.910 -9.866 1.00 63.42 C ATOM 556 CG LYS A 35 7.736 -8.931 -9.502 1.00 25.33 C ATOM 557 CD LYS A 35 8.893 -9.601 -8.721 1.00 3.52 C ATOM 558 CE LYS A 35 10.078 -8.660 -8.479 1.00 71.03 C ATOM 559 NZ LYS A 35 11.143 -9.306 -7.671 1.00 20.40 N ATOM 0 H LYS A 35 5.346 -8.084 -8.668 1.00 74.25 H new ATOM 0 HA LYS A 35 4.752 -10.838 -9.209 1.00 25.52 H new ATOM 0 HB2 LYS A 35 7.024 -10.864 -10.151 1.00 63.42 H new ATOM 0 HB3 LYS A 35 6.072 -9.519 -10.747 1.00 63.42 H new ATOM 0 HG2 LYS A 35 8.133 -8.494 -10.418 1.00 25.33 H new ATOM 0 HG3 LYS A 35 7.333 -8.112 -8.906 1.00 25.33 H new ATOM 0 HD2 LYS A 35 8.518 -9.957 -7.762 1.00 3.52 H new ATOM 0 HD3 LYS A 35 9.238 -10.475 -9.273 1.00 3.52 H new ATOM 0 HE2 LYS A 35 10.491 -8.343 -9.437 1.00 71.03 H new ATOM 0 HE3 LYS A 35 9.730 -7.762 -7.969 1.00 71.03 H new ATOM 0 HZ1 LYS A 35 11.630 -8.586 -7.100 1.00 20.40 H new ATOM 0 HZ2 LYS A 35 10.718 -10.017 -7.042 1.00 20.40 H new ATOM 0 HZ3 LYS A 35 11.827 -9.768 -8.304 1.00 20.40 H new ATOM 573 N ASP A 36 6.294 -10.227 -6.442 1.00 62.53 N ATOM 574 CA ASP A 36 6.706 -10.815 -5.155 1.00 50.02 C ATOM 575 C ASP A 36 5.469 -11.112 -4.282 1.00 40.45 C ATOM 576 O ASP A 36 5.520 -10.973 -3.061 1.00 1.34 O ATOM 577 CB ASP A 36 7.687 -9.867 -4.410 1.00 25.33 C ATOM 578 CG ASP A 36 9.092 -9.793 -5.017 1.00 65.23 C ATOM 579 OD1 ASP A 36 9.613 -10.826 -5.490 1.00 52.14 O ATOM 580 OD2 ASP A 36 9.697 -8.702 -5.034 1.00 42.13 O ATOM 0 H ASP A 36 6.206 -9.211 -6.416 1.00 62.53 H new ATOM 0 HA ASP A 36 7.224 -11.754 -5.353 1.00 50.02 H new ATOM 0 HB2 ASP A 36 7.260 -8.864 -4.394 1.00 25.33 H new ATOM 0 HB3 ASP A 36 7.771 -10.195 -3.374 1.00 25.33 H new ATOM 585 N LYS A 37 4.383 -11.589 -4.926 1.00 53.10 N ATOM 586 CA LYS A 37 3.081 -11.851 -4.279 1.00 4.42 C ATOM 587 C LYS A 37 3.197 -12.833 -3.088 1.00 51.01 C ATOM 588 O LYS A 37 2.687 -12.556 -1.999 1.00 15.24 O ATOM 589 CB LYS A 37 2.072 -12.398 -5.328 1.00 43.43 C ATOM 590 CG LYS A 37 0.645 -12.758 -4.817 1.00 2.05 C ATOM 591 CD LYS A 37 -0.242 -11.548 -4.381 1.00 2.43 C ATOM 592 CE LYS A 37 0.039 -11.026 -2.965 1.00 54.14 C ATOM 593 NZ LYS A 37 -0.072 -12.099 -1.934 1.00 34.24 N ATOM 0 H LYS A 37 4.386 -11.806 -5.923 1.00 53.10 H new ATOM 0 HA LYS A 37 2.721 -10.904 -3.877 1.00 4.42 H new ATOM 0 HB2 LYS A 37 1.971 -11.656 -6.120 1.00 43.43 H new ATOM 0 HB3 LYS A 37 2.505 -13.290 -5.781 1.00 43.43 H new ATOM 0 HG2 LYS A 37 0.124 -13.303 -5.604 1.00 2.05 H new ATOM 0 HG3 LYS A 37 0.743 -13.437 -3.970 1.00 2.05 H new ATOM 0 HD2 LYS A 37 -0.096 -10.733 -5.090 1.00 2.43 H new ATOM 0 HD3 LYS A 37 -1.290 -11.841 -4.444 1.00 2.43 H new ATOM 0 HE2 LYS A 37 1.039 -10.595 -2.931 1.00 54.14 H new ATOM 0 HE3 LYS A 37 -0.662 -10.225 -2.730 1.00 54.14 H new ATOM 0 HZ1 LYS A 37 -0.460 -11.698 -1.056 1.00 34.24 H new ATOM 0 HZ2 LYS A 37 -0.703 -12.850 -2.281 1.00 34.24 H new ATOM 0 HZ3 LYS A 37 0.870 -12.498 -1.745 1.00 34.24 H new ATOM 607 N GLU A 38 3.888 -13.958 -3.307 1.00 1.43 N ATOM 608 CA GLU A 38 4.077 -14.996 -2.274 1.00 4.25 C ATOM 609 C GLU A 38 4.980 -14.453 -1.161 1.00 24.32 C ATOM 610 O GLU A 38 4.785 -14.731 0.026 1.00 12.12 O ATOM 611 CB GLU A 38 4.723 -16.250 -2.908 1.00 13.13 C ATOM 612 CG GLU A 38 3.956 -16.797 -4.129 1.00 61.13 C ATOM 613 CD GLU A 38 4.548 -18.097 -4.687 1.00 73.02 C ATOM 614 OE1 GLU A 38 4.255 -19.177 -4.139 1.00 22.52 O ATOM 615 OE2 GLU A 38 5.316 -18.048 -5.667 1.00 45.23 O ATOM 0 H GLU A 38 4.332 -14.178 -4.199 1.00 1.43 H new ATOM 0 HA GLU A 38 3.109 -15.267 -1.852 1.00 4.25 H new ATOM 0 HB2 GLU A 38 5.742 -16.009 -3.210 1.00 13.13 H new ATOM 0 HB3 GLU A 38 4.791 -17.033 -2.153 1.00 13.13 H new ATOM 0 HG2 GLU A 38 2.917 -16.971 -3.848 1.00 61.13 H new ATOM 0 HG3 GLU A 38 3.952 -16.042 -4.915 1.00 61.13 H new ATOM 622 N LYS A 39 5.942 -13.634 -1.603 1.00 3.20 N ATOM 623 CA LYS A 39 7.009 -13.082 -0.777 1.00 41.02 C ATOM 624 C LYS A 39 6.486 -11.988 0.186 1.00 61.22 C ATOM 625 O LYS A 39 7.096 -11.771 1.229 1.00 4.12 O ATOM 626 CB LYS A 39 8.108 -12.506 -1.715 1.00 52.02 C ATOM 627 CG LYS A 39 9.487 -12.370 -1.064 1.00 53.42 C ATOM 628 CD LYS A 39 10.458 -11.471 -1.869 1.00 60.21 C ATOM 629 CE LYS A 39 11.845 -11.338 -1.213 1.00 64.32 C ATOM 630 NZ LYS A 39 12.567 -12.635 -1.157 1.00 43.43 N ATOM 0 H LYS A 39 5.996 -13.331 -2.576 1.00 3.20 H new ATOM 0 HA LYS A 39 7.422 -13.876 -0.154 1.00 41.02 H new ATOM 0 HB2 LYS A 39 8.195 -13.149 -2.591 1.00 52.02 H new ATOM 0 HB3 LYS A 39 7.789 -11.526 -2.070 1.00 52.02 H new ATOM 0 HG2 LYS A 39 9.369 -11.959 -0.061 1.00 53.42 H new ATOM 0 HG3 LYS A 39 9.928 -13.361 -0.952 1.00 53.42 H new ATOM 0 HD2 LYS A 39 10.575 -11.881 -2.872 1.00 60.21 H new ATOM 0 HD3 LYS A 39 10.018 -10.480 -1.979 1.00 60.21 H new ATOM 0 HE2 LYS A 39 12.441 -10.616 -1.771 1.00 64.32 H new ATOM 0 HE3 LYS A 39 11.731 -10.944 -0.203 1.00 64.32 H new ATOM 0 HZ1 LYS A 39 13.527 -12.482 -0.786 1.00 43.43 H new ATOM 0 HZ2 LYS A 39 12.055 -13.291 -0.533 1.00 43.43 H new ATOM 0 HZ3 LYS A 39 12.626 -13.041 -2.113 1.00 43.43 H new ATOM 644 N VAL A 40 5.339 -11.349 -0.168 1.00 65.22 N ATOM 645 CA VAL A 40 4.775 -10.191 0.577 1.00 41.34 C ATOM 646 C VAL A 40 4.645 -10.495 2.082 1.00 51.23 C ATOM 647 O VAL A 40 5.216 -9.785 2.911 1.00 52.11 O ATOM 648 CB VAL A 40 3.348 -9.776 0.033 1.00 33.24 C ATOM 649 CG1 VAL A 40 2.727 -8.654 0.891 1.00 32.33 C ATOM 650 CG2 VAL A 40 3.391 -9.343 -1.446 1.00 2.21 C ATOM 0 H VAL A 40 4.780 -11.622 -0.977 1.00 65.22 H new ATOM 0 HA VAL A 40 5.474 -9.369 0.425 1.00 41.34 H new ATOM 0 HB VAL A 40 2.720 -10.664 0.104 1.00 33.24 H new ATOM 0 HG11 VAL A 40 1.747 -8.391 0.492 1.00 32.33 H new ATOM 0 HG12 VAL A 40 2.619 -8.999 1.919 1.00 32.33 H new ATOM 0 HG13 VAL A 40 3.375 -7.778 0.869 1.00 32.33 H new ATOM 0 HG21 VAL A 40 2.389 -9.068 -1.774 1.00 2.21 H new ATOM 0 HG22 VAL A 40 4.056 -8.487 -1.555 1.00 2.21 H new ATOM 0 HG23 VAL A 40 3.758 -10.168 -2.056 1.00 2.21 H new ATOM 660 N LYS A 41 3.916 -11.579 2.396 1.00 33.32 N ATOM 661 CA LYS A 41 3.599 -11.985 3.771 1.00 63.23 C ATOM 662 C LYS A 41 4.870 -12.310 4.571 1.00 0.10 C ATOM 663 O LYS A 41 4.978 -11.988 5.764 1.00 70.54 O ATOM 664 CB LYS A 41 2.653 -13.209 3.728 1.00 54.34 C ATOM 665 CG LYS A 41 2.151 -13.647 5.109 1.00 3.45 C ATOM 666 CD LYS A 41 0.960 -14.617 5.052 1.00 1.25 C ATOM 667 CE LYS A 41 1.307 -16.014 4.526 1.00 1.25 C ATOM 668 NZ LYS A 41 0.095 -16.882 4.507 1.00 2.21 N ATOM 0 H LYS A 41 3.526 -12.205 1.691 1.00 33.32 H new ATOM 0 HA LYS A 41 3.106 -11.156 4.278 1.00 63.23 H new ATOM 0 HB2 LYS A 41 1.796 -12.973 3.097 1.00 54.34 H new ATOM 0 HB3 LYS A 41 3.174 -14.044 3.259 1.00 54.34 H new ATOM 0 HG2 LYS A 41 2.970 -14.121 5.650 1.00 3.45 H new ATOM 0 HG3 LYS A 41 1.862 -12.763 5.678 1.00 3.45 H new ATOM 0 HD2 LYS A 41 0.537 -14.713 6.052 1.00 1.25 H new ATOM 0 HD3 LYS A 41 0.185 -14.185 4.418 1.00 1.25 H new ATOM 0 HE2 LYS A 41 1.722 -15.938 3.521 1.00 1.25 H new ATOM 0 HE3 LYS A 41 2.075 -16.465 5.155 1.00 1.25 H new ATOM 0 HZ1 LYS A 41 0.349 -17.825 4.148 1.00 2.21 H new ATOM 0 HZ2 LYS A 41 -0.285 -16.969 5.471 1.00 2.21 H new ATOM 0 HZ3 LYS A 41 -0.626 -16.458 3.888 1.00 2.21 H new ATOM 682 N GLU A 42 5.825 -12.934 3.875 1.00 4.12 N ATOM 683 CA GLU A 42 7.142 -13.269 4.414 1.00 33.13 C ATOM 684 C GLU A 42 7.923 -11.981 4.785 1.00 44.51 C ATOM 685 O GLU A 42 8.595 -11.935 5.821 1.00 0.33 O ATOM 686 CB GLU A 42 7.895 -14.120 3.360 1.00 10.44 C ATOM 687 CG GLU A 42 9.355 -14.468 3.692 1.00 10.11 C ATOM 688 CD GLU A 42 9.546 -15.230 5.015 1.00 13.33 C ATOM 689 OE1 GLU A 42 9.260 -16.445 5.063 1.00 64.51 O ATOM 690 OE2 GLU A 42 10.002 -14.621 6.010 1.00 23.22 O ATOM 0 H GLU A 42 5.700 -13.224 2.905 1.00 4.12 H new ATOM 0 HA GLU A 42 7.042 -13.848 5.332 1.00 33.13 H new ATOM 0 HB2 GLU A 42 7.345 -15.050 3.213 1.00 10.44 H new ATOM 0 HB3 GLU A 42 7.877 -13.585 2.410 1.00 10.44 H new ATOM 0 HG2 GLU A 42 9.766 -15.068 2.880 1.00 10.11 H new ATOM 0 HG3 GLU A 42 9.935 -13.546 3.732 1.00 10.11 H new ATOM 697 N GLU A 43 7.798 -10.931 3.948 1.00 42.43 N ATOM 698 CA GLU A 43 8.484 -9.645 4.170 1.00 53.51 C ATOM 699 C GLU A 43 7.848 -8.869 5.340 1.00 21.41 C ATOM 700 O GLU A 43 8.556 -8.185 6.090 1.00 55.42 O ATOM 701 CB GLU A 43 8.497 -8.792 2.876 1.00 51.12 C ATOM 702 CG GLU A 43 9.216 -9.454 1.682 1.00 53.15 C ATOM 703 CD GLU A 43 10.615 -9.990 2.034 1.00 31.32 C ATOM 704 OE1 GLU A 43 11.533 -9.176 2.242 1.00 13.10 O ATOM 705 OE2 GLU A 43 10.798 -11.223 2.142 1.00 55.53 O ATOM 0 H GLU A 43 7.223 -10.951 3.106 1.00 42.43 H new ATOM 0 HA GLU A 43 9.518 -9.861 4.439 1.00 53.51 H new ATOM 0 HB2 GLU A 43 7.468 -8.574 2.589 1.00 51.12 H new ATOM 0 HB3 GLU A 43 8.978 -7.837 3.090 1.00 51.12 H new ATOM 0 HG2 GLU A 43 8.604 -10.275 1.308 1.00 53.15 H new ATOM 0 HG3 GLU A 43 9.305 -8.729 0.873 1.00 53.15 H new ATOM 712 N ILE A 44 6.512 -9.008 5.480 1.00 11.33 N ATOM 713 CA ILE A 44 5.731 -8.403 6.578 1.00 5.23 C ATOM 714 C ILE A 44 6.179 -8.971 7.951 1.00 33.33 C ATOM 715 O ILE A 44 6.156 -8.253 8.949 1.00 21.11 O ATOM 716 CB ILE A 44 4.174 -8.624 6.380 1.00 34.23 C ATOM 717 CG1 ILE A 44 3.668 -7.936 5.069 1.00 74.31 C ATOM 718 CG2 ILE A 44 3.357 -8.124 7.600 1.00 30.35 C ATOM 719 CD1 ILE A 44 2.191 -8.163 4.759 1.00 61.21 C ATOM 0 H ILE A 44 5.942 -9.548 4.829 1.00 11.33 H new ATOM 0 HA ILE A 44 5.924 -7.330 6.559 1.00 5.23 H new ATOM 0 HB ILE A 44 4.016 -9.699 6.292 1.00 34.23 H new ATOM 0 HG12 ILE A 44 3.849 -6.864 5.144 1.00 74.31 H new ATOM 0 HG13 ILE A 44 4.261 -8.301 4.231 1.00 74.31 H new ATOM 0 HG21 ILE A 44 2.295 -8.295 7.422 1.00 30.35 H new ATOM 0 HG22 ILE A 44 3.667 -8.667 8.493 1.00 30.35 H new ATOM 0 HG23 ILE A 44 3.534 -7.058 7.744 1.00 30.35 H new ATOM 0 HD11 ILE A 44 1.930 -7.650 3.834 1.00 61.21 H new ATOM 0 HD12 ILE A 44 2.003 -9.231 4.647 1.00 61.21 H new ATOM 0 HD13 ILE A 44 1.584 -7.771 5.575 1.00 61.21 H new ATOM 731 N GLU A 45 6.596 -10.259 7.974 1.00 14.31 N ATOM 732 CA GLU A 45 6.981 -10.971 9.212 1.00 22.01 C ATOM 733 C GLU A 45 8.110 -10.220 9.967 1.00 2.14 C ATOM 734 O GLU A 45 7.950 -9.858 11.138 1.00 73.54 O ATOM 735 CB GLU A 45 7.399 -12.438 8.852 1.00 52.30 C ATOM 736 CG GLU A 45 7.650 -13.403 10.049 1.00 55.05 C ATOM 737 CD GLU A 45 9.004 -13.210 10.776 1.00 44.34 C ATOM 738 OE1 GLU A 45 10.059 -13.292 10.117 1.00 3.22 O ATOM 739 OE2 GLU A 45 9.018 -12.980 12.003 1.00 4.32 O ATOM 0 H GLU A 45 6.674 -10.832 7.134 1.00 14.31 H new ATOM 0 HA GLU A 45 6.126 -11.005 9.888 1.00 22.01 H new ATOM 0 HB2 GLU A 45 6.621 -12.870 8.223 1.00 52.30 H new ATOM 0 HB3 GLU A 45 8.308 -12.396 8.251 1.00 52.30 H new ATOM 0 HG2 GLU A 45 6.845 -13.276 10.773 1.00 55.05 H new ATOM 0 HG3 GLU A 45 7.593 -14.429 9.686 1.00 55.05 H new ATOM 746 N LYS A 46 9.236 -9.966 9.278 1.00 32.25 N ATOM 747 CA LYS A 46 10.371 -9.229 9.873 1.00 2.14 C ATOM 748 C LYS A 46 10.099 -7.713 9.931 1.00 4.44 C ATOM 749 O LYS A 46 10.601 -7.056 10.833 1.00 11.42 O ATOM 750 CB LYS A 46 11.745 -9.537 9.199 1.00 40.35 C ATOM 751 CG LYS A 46 11.797 -9.490 7.650 1.00 35.33 C ATOM 752 CD LYS A 46 11.460 -10.851 6.998 1.00 52.52 C ATOM 753 CE LYS A 46 11.750 -10.877 5.493 1.00 63.31 C ATOM 754 NZ LYS A 46 11.470 -12.209 4.901 1.00 63.50 N ATOM 0 H LYS A 46 9.387 -10.258 8.312 1.00 32.25 H new ATOM 0 HA LYS A 46 10.453 -9.598 10.895 1.00 2.14 H new ATOM 0 HB2 LYS A 46 12.477 -8.827 9.584 1.00 40.35 H new ATOM 0 HB3 LYS A 46 12.064 -10.529 9.518 1.00 40.35 H new ATOM 0 HG2 LYS A 46 11.096 -8.736 7.290 1.00 35.33 H new ATOM 0 HG3 LYS A 46 12.792 -9.177 7.334 1.00 35.33 H new ATOM 0 HD2 LYS A 46 12.036 -11.636 7.488 1.00 52.52 H new ATOM 0 HD3 LYS A 46 10.407 -11.078 7.164 1.00 52.52 H new ATOM 0 HE2 LYS A 46 11.143 -10.122 4.993 1.00 63.31 H new ATOM 0 HE3 LYS A 46 12.793 -10.614 5.319 1.00 63.31 H new ATOM 0 HZ1 LYS A 46 11.229 -12.098 3.895 1.00 63.50 H new ATOM 0 HZ2 LYS A 46 12.312 -12.813 4.991 1.00 63.50 H new ATOM 0 HZ3 LYS A 46 10.672 -12.651 5.401 1.00 63.50 H new ATOM 768 N ALA A 47 9.313 -7.165 8.973 1.00 24.22 N ATOM 769 CA ALA A 47 8.923 -5.729 8.985 1.00 3.01 C ATOM 770 C ALA A 47 8.123 -5.373 10.265 1.00 1.25 C ATOM 771 O ALA A 47 8.245 -4.265 10.809 1.00 51.34 O ATOM 772 CB ALA A 47 8.110 -5.385 7.728 1.00 53.42 C ATOM 0 H ALA A 47 8.937 -7.691 8.184 1.00 24.22 H new ATOM 0 HA ALA A 47 9.836 -5.133 8.986 1.00 3.01 H new ATOM 0 HB1 ALA A 47 7.832 -4.331 7.751 1.00 53.42 H new ATOM 0 HB2 ALA A 47 8.711 -5.582 6.841 1.00 53.42 H new ATOM 0 HB3 ALA A 47 7.209 -5.997 7.699 1.00 53.42 H new ATOM 778 N ARG A 48 7.327 -6.357 10.728 1.00 21.21 N ATOM 779 CA ARG A 48 6.568 -6.306 11.990 1.00 33.32 C ATOM 780 C ARG A 48 7.531 -6.218 13.182 1.00 53.10 C ATOM 781 O ARG A 48 7.411 -5.343 14.047 1.00 75.41 O ATOM 782 CB ARG A 48 5.730 -7.606 12.111 1.00 40.44 C ATOM 783 CG ARG A 48 4.904 -7.757 13.411 1.00 54.40 C ATOM 784 CD ARG A 48 4.522 -9.220 13.684 1.00 2.11 C ATOM 785 NE ARG A 48 5.702 -10.037 14.025 1.00 43.54 N ATOM 786 CZ ARG A 48 6.155 -11.101 13.347 1.00 61.45 C ATOM 787 NH1 ARG A 48 5.542 -11.539 12.253 1.00 53.51 N ATOM 788 NH2 ARG A 48 7.235 -11.710 13.781 1.00 21.32 N ATOM 0 H ARG A 48 7.192 -7.231 10.220 1.00 21.21 H new ATOM 0 HA ARG A 48 5.920 -5.429 11.992 1.00 33.32 H new ATOM 0 HB2 ARG A 48 5.048 -7.657 11.262 1.00 40.44 H new ATOM 0 HB3 ARG A 48 6.404 -8.459 12.030 1.00 40.44 H new ATOM 0 HG2 ARG A 48 5.478 -7.369 14.252 1.00 54.40 H new ATOM 0 HG3 ARG A 48 3.999 -7.154 13.338 1.00 54.40 H new ATOM 0 HD2 ARG A 48 3.802 -9.262 14.501 1.00 2.11 H new ATOM 0 HD3 ARG A 48 4.031 -9.638 12.805 1.00 2.11 H new ATOM 0 HE ARG A 48 6.224 -9.766 14.858 1.00 43.54 H new ATOM 0 HH11 ARG A 48 4.707 -11.063 11.911 1.00 53.51 H new ATOM 0 HH12 ARG A 48 5.906 -12.351 11.755 1.00 53.51 H new ATOM 0 HH21 ARG A 48 7.710 -11.371 14.617 1.00 21.32 H new ATOM 0 HH22 ARG A 48 7.598 -12.522 13.282 1.00 21.32 H new ATOM 802 N LYS A 49 8.492 -7.153 13.174 1.00 3.31 N ATOM 803 CA LYS A 49 9.526 -7.304 14.210 1.00 3.31 C ATOM 804 C LYS A 49 10.422 -6.050 14.301 1.00 52.43 C ATOM 805 O LYS A 49 10.841 -5.650 15.391 1.00 31.13 O ATOM 806 CB LYS A 49 10.378 -8.549 13.863 1.00 62.42 C ATOM 807 CG LYS A 49 11.519 -8.872 14.853 1.00 65.04 C ATOM 808 CD LYS A 49 12.389 -10.040 14.349 1.00 64.31 C ATOM 809 CE LYS A 49 13.524 -10.427 15.305 1.00 22.32 C ATOM 810 NZ LYS A 49 14.335 -11.550 14.751 1.00 33.20 N ATOM 0 H LYS A 49 8.574 -7.843 12.428 1.00 3.31 H new ATOM 0 HA LYS A 49 9.048 -7.428 15.182 1.00 3.31 H new ATOM 0 HB2 LYS A 49 9.718 -9.414 13.802 1.00 62.42 H new ATOM 0 HB3 LYS A 49 10.810 -8.407 12.872 1.00 62.42 H new ATOM 0 HG2 LYS A 49 12.141 -7.988 14.994 1.00 65.04 H new ATOM 0 HG3 LYS A 49 11.098 -9.124 15.826 1.00 65.04 H new ATOM 0 HD2 LYS A 49 11.753 -10.910 14.185 1.00 64.31 H new ATOM 0 HD3 LYS A 49 12.817 -9.771 13.383 1.00 64.31 H new ATOM 0 HE2 LYS A 49 14.166 -9.564 15.481 1.00 22.32 H new ATOM 0 HE3 LYS A 49 13.108 -10.717 16.270 1.00 22.32 H new ATOM 0 HZ1 LYS A 49 15.096 -11.791 15.418 1.00 33.20 H new ATOM 0 HZ2 LYS A 49 13.725 -12.380 14.606 1.00 33.20 H new ATOM 0 HZ3 LYS A 49 14.750 -11.263 13.842 1.00 33.20 H new ATOM 824 N GLN A 50 10.687 -5.442 13.133 1.00 2.50 N ATOM 825 CA GLN A 50 11.534 -4.243 13.018 1.00 61.05 C ATOM 826 C GLN A 50 10.745 -2.979 13.378 1.00 52.52 C ATOM 827 O GLN A 50 11.347 -1.940 13.661 1.00 31.32 O ATOM 828 CB GLN A 50 12.098 -4.121 11.575 1.00 4.53 C ATOM 829 CG GLN A 50 13.103 -5.216 11.157 1.00 73.14 C ATOM 830 CD GLN A 50 14.277 -5.370 12.123 1.00 5.40 C ATOM 831 OE1 GLN A 50 15.300 -4.692 11.994 1.00 25.43 O ATOM 832 NE2 GLN A 50 14.139 -6.272 13.086 1.00 2.33 N ATOM 0 H GLN A 50 10.319 -5.769 12.240 1.00 2.50 H new ATOM 0 HA GLN A 50 12.362 -4.344 13.719 1.00 61.05 H new ATOM 0 HB2 GLN A 50 11.262 -4.134 10.875 1.00 4.53 H new ATOM 0 HB3 GLN A 50 12.583 -3.150 11.475 1.00 4.53 H new ATOM 0 HG2 GLN A 50 12.579 -6.169 11.081 1.00 73.14 H new ATOM 0 HG3 GLN A 50 13.488 -4.984 10.164 1.00 73.14 H new ATOM 0 HE21 GLN A 50 13.277 -6.812 13.159 1.00 2.33 H new ATOM 0 HE22 GLN A 50 14.895 -6.425 13.754 1.00 2.33 H new ATOM 841 N GLY A 51 9.402 -3.088 13.371 1.00 72.34 N ATOM 842 CA GLY A 51 8.516 -1.963 13.660 1.00 64.24 C ATOM 843 C GLY A 51 8.616 -0.839 12.642 1.00 60.32 C ATOM 844 O GLY A 51 8.516 0.336 12.996 1.00 11.33 O ATOM 0 H GLY A 51 8.911 -3.958 13.165 1.00 72.34 H new ATOM 0 HA2 GLY A 51 7.487 -2.320 13.696 1.00 64.24 H new ATOM 0 HA3 GLY A 51 8.751 -1.570 14.649 1.00 64.24 H new ATOM 848 N ARG A 52 8.807 -1.212 11.369 1.00 60.55 N ATOM 849 CA ARG A 52 9.039 -0.262 10.266 1.00 40.34 C ATOM 850 C ARG A 52 7.922 -0.369 9.204 1.00 2.12 C ATOM 851 O ARG A 52 7.333 -1.446 9.029 1.00 64.12 O ATOM 852 CB ARG A 52 10.436 -0.517 9.624 1.00 71.15 C ATOM 853 CG ARG A 52 11.623 -0.136 10.538 1.00 2.40 C ATOM 854 CD ARG A 52 12.996 -0.391 9.890 1.00 4.20 C ATOM 855 NE ARG A 52 14.099 0.119 10.735 1.00 55.13 N ATOM 856 CZ ARG A 52 14.712 -0.557 11.720 1.00 10.15 C ATOM 857 NH1 ARG A 52 14.355 -1.796 12.024 1.00 72.30 N ATOM 858 NH2 ARG A 52 15.692 0.026 12.400 1.00 31.32 N ATOM 0 H ARG A 52 8.805 -2.188 11.071 1.00 60.55 H new ATOM 0 HA ARG A 52 9.021 0.750 10.671 1.00 40.34 H new ATOM 0 HB2 ARG A 52 10.517 -1.571 9.360 1.00 71.15 H new ATOM 0 HB3 ARG A 52 10.508 0.050 8.696 1.00 71.15 H new ATOM 0 HG2 ARG A 52 11.544 0.918 10.804 1.00 2.40 H new ATOM 0 HG3 ARG A 52 11.555 -0.704 11.466 1.00 2.40 H new ATOM 0 HD2 ARG A 52 13.128 -1.460 9.724 1.00 4.20 H new ATOM 0 HD3 ARG A 52 13.033 0.090 8.913 1.00 4.20 H new ATOM 0 HE ARG A 52 14.422 1.069 10.553 1.00 55.13 H new ATOM 0 HH11 ARG A 52 13.603 -2.252 11.507 1.00 72.30 H new ATOM 0 HH12 ARG A 52 14.832 -2.294 12.775 1.00 72.30 H new ATOM 0 HH21 ARG A 52 15.973 0.980 12.173 1.00 31.32 H new ATOM 0 HH22 ARG A 52 16.163 -0.480 13.150 1.00 31.32 H new ATOM 872 N PRO A 53 7.597 0.771 8.509 1.00 22.34 N ATOM 873 CA PRO A 53 6.690 0.765 7.341 1.00 63.15 C ATOM 874 C PRO A 53 7.267 -0.029 6.150 1.00 34.34 C ATOM 875 O PRO A 53 8.459 0.073 5.826 1.00 41.23 O ATOM 876 CB PRO A 53 6.512 2.270 7.004 1.00 24.24 C ATOM 877 CG PRO A 53 7.711 2.937 7.597 1.00 40.12 C ATOM 878 CD PRO A 53 8.037 2.154 8.845 1.00 53.42 C ATOM 0 HA PRO A 53 5.744 0.268 7.557 1.00 63.15 H new ATOM 0 HB2 PRO A 53 6.461 2.431 5.927 1.00 24.24 H new ATOM 0 HB3 PRO A 53 5.589 2.664 7.429 1.00 24.24 H new ATOM 0 HG2 PRO A 53 8.549 2.929 6.900 1.00 40.12 H new ATOM 0 HG3 PRO A 53 7.502 3.981 7.833 1.00 40.12 H new ATOM 0 HD2 PRO A 53 9.101 2.192 9.077 1.00 53.42 H new ATOM 0 HD3 PRO A 53 7.507 2.544 9.714 1.00 53.42 H new ATOM 886 N ILE A 54 6.399 -0.833 5.527 1.00 0.54 N ATOM 887 CA ILE A 54 6.703 -1.585 4.312 1.00 10.54 C ATOM 888 C ILE A 54 5.577 -1.321 3.298 1.00 21.15 C ATOM 889 O ILE A 54 4.396 -1.565 3.583 1.00 53.14 O ATOM 890 CB ILE A 54 6.872 -3.128 4.624 1.00 10.42 C ATOM 891 CG1 ILE A 54 7.141 -3.940 3.320 1.00 52.52 C ATOM 892 CG2 ILE A 54 5.669 -3.701 5.415 1.00 44.41 C ATOM 893 CD1 ILE A 54 7.349 -5.429 3.533 1.00 44.44 C ATOM 0 H ILE A 54 5.447 -0.980 5.863 1.00 0.54 H new ATOM 0 HA ILE A 54 7.653 -1.256 3.891 1.00 10.54 H new ATOM 0 HB ILE A 54 7.746 -3.231 5.267 1.00 10.42 H new ATOM 0 HG12 ILE A 54 6.301 -3.798 2.640 1.00 52.52 H new ATOM 0 HG13 ILE A 54 8.023 -3.530 2.828 1.00 52.52 H new ATOM 0 HG21 ILE A 54 5.831 -4.762 5.605 1.00 44.41 H new ATOM 0 HG22 ILE A 54 5.573 -3.173 6.364 1.00 44.41 H new ATOM 0 HG23 ILE A 54 4.756 -3.572 4.833 1.00 44.41 H new ATOM 0 HD11 ILE A 54 7.529 -5.912 2.573 1.00 44.44 H new ATOM 0 HD12 ILE A 54 8.208 -5.587 4.185 1.00 44.44 H new ATOM 0 HD13 ILE A 54 6.459 -5.858 3.994 1.00 44.44 H new ATOM 905 N VAL A 55 5.940 -0.779 2.127 1.00 60.14 N ATOM 906 CA VAL A 55 4.967 -0.373 1.109 1.00 64.31 C ATOM 907 C VAL A 55 4.841 -1.479 0.052 1.00 74.13 C ATOM 908 O VAL A 55 5.729 -1.662 -0.785 1.00 74.14 O ATOM 909 CB VAL A 55 5.364 0.991 0.436 1.00 11.42 C ATOM 910 CG1 VAL A 55 4.277 1.460 -0.554 1.00 74.24 C ATOM 911 CG2 VAL A 55 5.666 2.073 1.500 1.00 2.00 C ATOM 0 H VAL A 55 6.911 -0.611 1.862 1.00 60.14 H new ATOM 0 HA VAL A 55 4.004 -0.223 1.596 1.00 64.31 H new ATOM 0 HB VAL A 55 6.279 0.828 -0.134 1.00 11.42 H new ATOM 0 HG11 VAL A 55 4.579 2.406 -1.004 1.00 74.24 H new ATOM 0 HG12 VAL A 55 4.149 0.711 -1.335 1.00 74.24 H new ATOM 0 HG13 VAL A 55 3.335 1.595 -0.023 1.00 74.24 H new ATOM 0 HG21 VAL A 55 5.938 3.005 1.004 1.00 2.00 H new ATOM 0 HG22 VAL A 55 4.782 2.234 2.116 1.00 2.00 H new ATOM 0 HG23 VAL A 55 6.492 1.743 2.130 1.00 2.00 H new ATOM 921 N VAL A 56 3.731 -2.216 0.109 1.00 35.23 N ATOM 922 CA VAL A 56 3.422 -3.293 -0.829 1.00 64.44 C ATOM 923 C VAL A 56 2.557 -2.739 -1.962 1.00 73.42 C ATOM 924 O VAL A 56 1.429 -2.298 -1.729 1.00 74.50 O ATOM 925 CB VAL A 56 2.664 -4.469 -0.119 1.00 11.11 C ATOM 926 CG1 VAL A 56 2.364 -5.626 -1.106 1.00 12.22 C ATOM 927 CG2 VAL A 56 3.457 -4.961 1.120 1.00 32.10 C ATOM 0 H VAL A 56 3.012 -2.079 0.819 1.00 35.23 H new ATOM 0 HA VAL A 56 4.359 -3.684 -1.225 1.00 64.44 H new ATOM 0 HB VAL A 56 1.703 -4.092 0.230 1.00 11.11 H new ATOM 0 HG11 VAL A 56 1.838 -6.424 -0.582 1.00 12.22 H new ATOM 0 HG12 VAL A 56 1.742 -5.257 -1.922 1.00 12.22 H new ATOM 0 HG13 VAL A 56 3.300 -6.012 -1.510 1.00 12.22 H new ATOM 0 HG21 VAL A 56 2.915 -5.777 1.599 1.00 32.10 H new ATOM 0 HG22 VAL A 56 4.440 -5.313 0.807 1.00 32.10 H new ATOM 0 HG23 VAL A 56 3.574 -4.139 1.827 1.00 32.10 H new ATOM 937 N PHE A 57 3.099 -2.741 -3.173 1.00 40.21 N ATOM 938 CA PHE A 57 2.379 -2.313 -4.363 1.00 5.03 C ATOM 939 C PHE A 57 1.561 -3.483 -4.908 1.00 40.44 C ATOM 940 O PHE A 57 2.107 -4.548 -5.215 1.00 64.14 O ATOM 941 CB PHE A 57 3.378 -1.781 -5.406 1.00 24.24 C ATOM 942 CG PHE A 57 4.119 -0.535 -4.920 1.00 41.30 C ATOM 943 CD1 PHE A 57 3.485 0.706 -4.906 1.00 41.44 C ATOM 944 CD2 PHE A 57 5.426 -0.613 -4.434 1.00 53.23 C ATOM 945 CE1 PHE A 57 4.135 1.833 -4.440 1.00 73.43 C ATOM 946 CE2 PHE A 57 6.072 0.515 -3.975 1.00 54.25 C ATOM 947 CZ PHE A 57 5.424 1.737 -3.968 1.00 52.14 C ATOM 0 H PHE A 57 4.056 -3.042 -3.357 1.00 40.21 H new ATOM 0 HA PHE A 57 1.690 -1.505 -4.118 1.00 5.03 H new ATOM 0 HB2 PHE A 57 4.101 -2.561 -5.643 1.00 24.24 H new ATOM 0 HB3 PHE A 57 2.846 -1.548 -6.329 1.00 24.24 H new ATOM 0 HD1 PHE A 57 2.470 0.788 -5.265 1.00 41.44 H new ATOM 0 HD2 PHE A 57 5.935 -1.565 -4.418 1.00 53.23 H new ATOM 0 HE1 PHE A 57 3.632 2.788 -4.446 1.00 73.43 H new ATOM 0 HE2 PHE A 57 7.089 0.444 -3.619 1.00 54.25 H new ATOM 0 HZ PHE A 57 5.929 2.615 -3.593 1.00 52.14 H new ATOM 957 N VAL A 58 0.241 -3.287 -4.950 1.00 15.21 N ATOM 958 CA VAL A 58 -0.715 -4.226 -5.539 1.00 2.23 C ATOM 959 C VAL A 58 -1.185 -3.651 -6.890 1.00 55.12 C ATOM 960 O VAL A 58 -1.284 -2.441 -7.049 1.00 2.20 O ATOM 961 CB VAL A 58 -1.939 -4.464 -4.573 1.00 40.24 C ATOM 962 CG1 VAL A 58 -2.963 -5.452 -5.181 1.00 52.02 C ATOM 963 CG2 VAL A 58 -1.462 -4.944 -3.177 1.00 51.23 C ATOM 0 H VAL A 58 -0.202 -2.452 -4.567 1.00 15.21 H new ATOM 0 HA VAL A 58 -0.236 -5.193 -5.694 1.00 2.23 H new ATOM 0 HB VAL A 58 -2.445 -3.507 -4.446 1.00 40.24 H new ATOM 0 HG11 VAL A 58 -3.792 -5.591 -4.486 1.00 52.02 H new ATOM 0 HG12 VAL A 58 -3.341 -5.051 -6.122 1.00 52.02 H new ATOM 0 HG13 VAL A 58 -2.479 -6.411 -5.364 1.00 52.02 H new ATOM 0 HG21 VAL A 58 -2.326 -5.100 -2.531 1.00 51.23 H new ATOM 0 HG22 VAL A 58 -0.913 -5.880 -3.282 1.00 51.23 H new ATOM 0 HG23 VAL A 58 -0.811 -4.189 -2.736 1.00 51.23 H new ATOM 973 N ARG A 59 -1.421 -4.529 -7.862 1.00 1.20 N ATOM 974 CA ARG A 59 -1.893 -4.153 -9.203 1.00 32.43 C ATOM 975 C ARG A 59 -3.428 -3.997 -9.177 1.00 1.13 C ATOM 976 O ARG A 59 -4.113 -4.731 -8.445 1.00 61.24 O ATOM 977 CB ARG A 59 -1.429 -5.255 -10.183 1.00 3.21 C ATOM 978 CG ARG A 59 -1.814 -5.085 -11.666 1.00 24.12 C ATOM 979 CD ARG A 59 -1.155 -6.176 -12.546 1.00 44.11 C ATOM 980 NE ARG A 59 -1.328 -7.527 -11.970 1.00 14.00 N ATOM 981 CZ ARG A 59 -0.337 -8.386 -11.669 1.00 50.22 C ATOM 982 NH1 ARG A 59 0.938 -8.091 -11.902 1.00 5.11 N ATOM 983 NH2 ARG A 59 -0.634 -9.509 -11.044 1.00 71.35 N ATOM 0 H ARG A 59 -1.290 -5.534 -7.745 1.00 1.20 H new ATOM 0 HA ARG A 59 -1.481 -3.197 -9.528 1.00 32.43 H new ATOM 0 HB2 ARG A 59 -0.343 -5.326 -10.122 1.00 3.21 H new ATOM 0 HB3 ARG A 59 -1.831 -6.207 -9.836 1.00 3.21 H new ATOM 0 HG2 ARG A 59 -2.898 -5.135 -11.771 1.00 24.12 H new ATOM 0 HG3 ARG A 59 -1.506 -4.099 -12.013 1.00 24.12 H new ATOM 0 HD2 ARG A 59 -1.590 -6.149 -13.545 1.00 44.11 H new ATOM 0 HD3 ARG A 59 -0.092 -5.961 -12.655 1.00 44.11 H new ATOM 0 HE ARG A 59 -2.283 -7.835 -11.785 1.00 14.00 H new ATOM 0 HH11 ARG A 59 1.186 -7.194 -12.319 1.00 5.11 H new ATOM 0 HH12 ARG A 59 1.668 -8.762 -11.663 1.00 5.11 H new ATOM 0 HH21 ARG A 59 -1.602 -9.714 -10.797 1.00 71.35 H new ATOM 0 HH22 ARG A 59 0.104 -10.172 -10.808 1.00 71.35 H new ATOM 997 N GLY A 60 -3.938 -3.022 -9.952 1.00 22.43 N ATOM 998 CA GLY A 60 -5.369 -2.722 -10.031 1.00 24.21 C ATOM 999 C GLY A 60 -6.165 -3.848 -10.688 1.00 51.03 C ATOM 1000 O GLY A 60 -6.443 -3.810 -11.891 1.00 12.45 O ATOM 0 H GLY A 60 -3.362 -2.421 -10.541 1.00 22.43 H new ATOM 0 HA2 GLY A 60 -5.756 -2.545 -9.028 1.00 24.21 H new ATOM 0 HA3 GLY A 60 -5.514 -1.801 -10.596 1.00 24.21 H new ATOM 1004 N GLY A 61 -6.504 -4.862 -9.881 1.00 12.42 N ATOM 1005 CA GLY A 61 -7.212 -6.060 -10.341 1.00 14.20 C ATOM 1006 C GLY A 61 -6.944 -7.245 -9.420 1.00 64.33 C ATOM 1007 O GLY A 61 -7.769 -8.158 -9.306 1.00 33.11 O ATOM 0 H GLY A 61 -6.292 -4.872 -8.883 1.00 12.42 H new ATOM 0 HA2 GLY A 61 -8.283 -5.861 -10.380 1.00 14.20 H new ATOM 0 HA3 GLY A 61 -6.897 -6.305 -11.355 1.00 14.20 H new ATOM 1011 N ASP A 62 -5.786 -7.215 -8.731 1.00 61.04 N ATOM 1012 CA ASP A 62 -5.423 -8.191 -7.672 1.00 42.44 C ATOM 1013 C ASP A 62 -5.998 -7.743 -6.312 1.00 10.35 C ATOM 1014 O ASP A 62 -5.393 -7.962 -5.254 1.00 64.23 O ATOM 1015 CB ASP A 62 -3.879 -8.336 -7.610 1.00 12.21 C ATOM 1016 CG ASP A 62 -3.289 -8.993 -8.867 1.00 32.22 C ATOM 1017 OD1 ASP A 62 -3.245 -8.337 -9.924 1.00 61.54 O ATOM 1018 OD2 ASP A 62 -2.877 -10.173 -8.813 1.00 50.50 O ATOM 0 H ASP A 62 -5.067 -6.509 -8.891 1.00 61.04 H new ATOM 0 HA ASP A 62 -5.853 -9.164 -7.909 1.00 42.44 H new ATOM 0 HB2 ASP A 62 -3.432 -7.351 -7.477 1.00 12.21 H new ATOM 0 HB3 ASP A 62 -3.610 -8.929 -6.736 1.00 12.21 H new ATOM 1023 N ASP A 63 -7.208 -7.165 -6.372 1.00 33.23 N ATOM 1024 CA ASP A 63 -7.975 -6.645 -5.225 1.00 32.12 C ATOM 1025 C ASP A 63 -8.381 -7.791 -4.275 1.00 61.31 C ATOM 1026 O ASP A 63 -8.427 -7.624 -3.047 1.00 70.34 O ATOM 1027 CB ASP A 63 -9.231 -5.921 -5.780 1.00 3.21 C ATOM 1028 CG ASP A 63 -9.996 -5.116 -4.722 1.00 51.21 C ATOM 1029 OD1 ASP A 63 -10.883 -5.682 -4.035 1.00 50.34 O ATOM 1030 OD2 ASP A 63 -9.722 -3.902 -4.575 1.00 13.01 O ATOM 0 H ASP A 63 -7.700 -7.041 -7.257 1.00 33.23 H new ATOM 0 HA ASP A 63 -7.364 -5.949 -4.650 1.00 32.12 H new ATOM 0 HB2 ASP A 63 -8.928 -5.251 -6.584 1.00 3.21 H new ATOM 0 HB3 ASP A 63 -9.902 -6.660 -6.217 1.00 3.21 H new ATOM 1035 N GLU A 64 -8.668 -8.946 -4.894 1.00 31.33 N ATOM 1036 CA GLU A 64 -8.967 -10.215 -4.219 1.00 12.11 C ATOM 1037 C GLU A 64 -7.828 -10.629 -3.257 1.00 40.01 C ATOM 1038 O GLU A 64 -8.085 -11.097 -2.162 1.00 31.20 O ATOM 1039 CB GLU A 64 -9.163 -11.299 -5.314 1.00 53.53 C ATOM 1040 CG GLU A 64 -9.479 -12.727 -4.815 1.00 65.54 C ATOM 1041 CD GLU A 64 -10.865 -12.873 -4.163 1.00 41.21 C ATOM 1042 OE1 GLU A 64 -11.869 -12.982 -4.892 1.00 71.54 O ATOM 1043 OE2 GLU A 64 -10.952 -12.903 -2.931 1.00 5.15 O ATOM 0 H GLU A 64 -8.699 -9.023 -5.911 1.00 31.33 H new ATOM 0 HA GLU A 64 -9.869 -10.103 -3.617 1.00 12.11 H new ATOM 0 HB2 GLU A 64 -9.972 -10.979 -5.971 1.00 53.53 H new ATOM 0 HB3 GLU A 64 -8.258 -11.341 -5.920 1.00 53.53 H new ATOM 0 HG2 GLU A 64 -9.410 -13.417 -5.656 1.00 65.54 H new ATOM 0 HG3 GLU A 64 -8.717 -13.025 -4.095 1.00 65.54 H new ATOM 1050 N ARG A 65 -6.580 -10.474 -3.724 1.00 11.40 N ATOM 1051 CA ARG A 65 -5.352 -10.812 -2.964 1.00 45.10 C ATOM 1052 C ARG A 65 -4.991 -9.700 -1.960 1.00 33.31 C ATOM 1053 O ARG A 65 -4.427 -9.972 -0.894 1.00 53.40 O ATOM 1054 CB ARG A 65 -4.193 -11.033 -3.968 1.00 31.23 C ATOM 1055 CG ARG A 65 -4.487 -12.108 -5.042 1.00 61.13 C ATOM 1056 CD ARG A 65 -3.376 -12.215 -6.098 1.00 63.12 C ATOM 1057 NE ARG A 65 -3.677 -13.212 -7.140 1.00 71.21 N ATOM 1058 CZ ARG A 65 -2.759 -13.769 -7.951 1.00 32.15 C ATOM 1059 NH1 ARG A 65 -1.471 -13.432 -7.851 1.00 45.13 N ATOM 1060 NH2 ARG A 65 -3.137 -14.661 -8.860 1.00 23.14 N ATOM 0 H ARG A 65 -6.385 -10.105 -4.655 1.00 11.40 H new ATOM 0 HA ARG A 65 -5.526 -11.722 -2.390 1.00 45.10 H new ATOM 0 HB2 ARG A 65 -3.972 -10.089 -4.465 1.00 31.23 H new ATOM 0 HB3 ARG A 65 -3.298 -11.320 -3.416 1.00 31.23 H new ATOM 0 HG2 ARG A 65 -4.614 -13.075 -4.556 1.00 61.13 H new ATOM 0 HG3 ARG A 65 -5.430 -11.873 -5.536 1.00 61.13 H new ATOM 0 HD2 ARG A 65 -3.229 -11.241 -6.564 1.00 63.12 H new ATOM 0 HD3 ARG A 65 -2.439 -12.479 -5.608 1.00 63.12 H new ATOM 0 HE ARG A 65 -4.649 -13.500 -7.255 1.00 71.21 H new ATOM 0 HH11 ARG A 65 -1.176 -12.747 -7.155 1.00 45.13 H new ATOM 0 HH12 ARG A 65 -0.782 -13.860 -8.470 1.00 45.13 H new ATOM 0 HH21 ARG A 65 -4.120 -14.921 -8.941 1.00 23.14 H new ATOM 0 HH22 ARG A 65 -2.444 -15.086 -9.477 1.00 23.14 H new ATOM 1074 N ALA A 66 -5.314 -8.445 -2.330 1.00 21.24 N ATOM 1075 CA ALA A 66 -4.997 -7.244 -1.526 1.00 75.12 C ATOM 1076 C ALA A 66 -5.669 -7.293 -0.141 1.00 63.42 C ATOM 1077 O ALA A 66 -5.098 -6.815 0.845 1.00 2.24 O ATOM 1078 CB ALA A 66 -5.415 -5.972 -2.281 1.00 74.53 C ATOM 0 H ALA A 66 -5.804 -8.233 -3.199 1.00 21.24 H new ATOM 0 HA ALA A 66 -3.919 -7.225 -1.368 1.00 75.12 H new ATOM 0 HB1 ALA A 66 -5.176 -5.096 -1.678 1.00 74.53 H new ATOM 0 HB2 ALA A 66 -4.878 -5.918 -3.228 1.00 74.53 H new ATOM 0 HB3 ALA A 66 -6.488 -5.999 -2.473 1.00 74.53 H new ATOM 1084 N LYS A 67 -6.875 -7.894 -0.092 1.00 13.41 N ATOM 1085 CA LYS A 67 -7.660 -8.036 1.152 1.00 73.31 C ATOM 1086 C LYS A 67 -6.966 -9.006 2.145 1.00 3.21 C ATOM 1087 O LYS A 67 -7.085 -8.841 3.360 1.00 42.13 O ATOM 1088 CB LYS A 67 -9.111 -8.522 0.822 1.00 21.11 C ATOM 1089 CG LYS A 67 -9.247 -10.047 0.596 1.00 14.03 C ATOM 1090 CD LYS A 67 -10.636 -10.509 0.097 1.00 61.54 C ATOM 1091 CE LYS A 67 -10.815 -12.034 0.266 1.00 41.11 C ATOM 1092 NZ LYS A 67 -9.724 -12.808 -0.391 1.00 33.33 N ATOM 0 H LYS A 67 -7.332 -8.294 -0.912 1.00 13.41 H new ATOM 0 HA LYS A 67 -7.720 -7.059 1.632 1.00 73.31 H new ATOM 0 HB2 LYS A 67 -9.772 -8.229 1.638 1.00 21.11 H new ATOM 0 HB3 LYS A 67 -9.459 -8.004 -0.072 1.00 21.11 H new ATOM 0 HG2 LYS A 67 -8.494 -10.361 -0.127 1.00 14.03 H new ATOM 0 HG3 LYS A 67 -9.024 -10.560 1.532 1.00 14.03 H new ATOM 0 HD2 LYS A 67 -11.416 -9.986 0.650 1.00 61.54 H new ATOM 0 HD3 LYS A 67 -10.755 -10.241 -0.953 1.00 61.54 H new ATOM 0 HE2 LYS A 67 -10.842 -12.279 1.328 1.00 41.11 H new ATOM 0 HE3 LYS A 67 -11.775 -12.334 -0.155 1.00 41.11 H new ATOM 0 HZ1 LYS A 67 -9.840 -13.820 -0.180 1.00 33.33 H new ATOM 0 HZ2 LYS A 67 -9.766 -12.662 -1.420 1.00 33.33 H new ATOM 0 HZ3 LYS A 67 -8.803 -12.483 -0.033 1.00 33.33 H new ATOM 1106 N ASP A 68 -6.267 -10.024 1.594 1.00 71.20 N ATOM 1107 CA ASP A 68 -5.539 -11.053 2.376 1.00 40.30 C ATOM 1108 C ASP A 68 -4.317 -10.445 3.061 1.00 72.11 C ATOM 1109 O ASP A 68 -4.043 -10.730 4.230 1.00 45.34 O ATOM 1110 CB ASP A 68 -5.088 -12.218 1.455 1.00 44.54 C ATOM 1111 CG ASP A 68 -6.249 -13.013 0.847 1.00 71.22 C ATOM 1112 OD1 ASP A 68 -6.873 -12.505 -0.088 1.00 71.22 O ATOM 1113 OD2 ASP A 68 -6.538 -14.141 1.296 1.00 22.53 O ATOM 0 H ASP A 68 -6.191 -10.157 0.586 1.00 71.20 H new ATOM 0 HA ASP A 68 -6.218 -11.439 3.136 1.00 40.30 H new ATOM 0 HB2 ASP A 68 -4.475 -11.815 0.649 1.00 44.54 H new ATOM 0 HB3 ASP A 68 -4.456 -12.897 2.027 1.00 44.54 H new ATOM 1118 N ILE A 69 -3.592 -9.603 2.299 1.00 33.42 N ATOM 1119 CA ILE A 69 -2.401 -8.897 2.787 1.00 0.42 C ATOM 1120 C ILE A 69 -2.814 -7.901 3.888 1.00 24.15 C ATOM 1121 O ILE A 69 -2.169 -7.808 4.929 1.00 35.13 O ATOM 1122 CB ILE A 69 -1.678 -8.101 1.639 1.00 23.22 C ATOM 1123 CG1 ILE A 69 -1.421 -8.981 0.372 1.00 33.23 C ATOM 1124 CG2 ILE A 69 -0.357 -7.502 2.164 1.00 41.04 C ATOM 1125 CD1 ILE A 69 -0.871 -8.204 -0.820 1.00 12.13 C ATOM 0 H ILE A 69 -3.820 -9.396 1.327 1.00 33.42 H new ATOM 0 HA ILE A 69 -1.710 -9.646 3.175 1.00 0.42 H new ATOM 0 HB ILE A 69 -2.343 -7.294 1.331 1.00 23.22 H new ATOM 0 HG12 ILE A 69 -0.721 -9.775 0.630 1.00 33.23 H new ATOM 0 HG13 ILE A 69 -2.355 -9.462 0.080 1.00 33.23 H new ATOM 0 HG21 ILE A 69 0.137 -6.953 1.363 1.00 41.04 H new ATOM 0 HG22 ILE A 69 -0.568 -6.825 2.992 1.00 41.04 H new ATOM 0 HG23 ILE A 69 0.295 -8.305 2.509 1.00 41.04 H new ATOM 0 HD11 ILE A 69 -0.719 -8.884 -1.659 1.00 12.13 H new ATOM 0 HD12 ILE A 69 -1.580 -7.427 -1.106 1.00 12.13 H new ATOM 0 HD13 ILE A 69 0.080 -7.746 -0.548 1.00 12.13 H new ATOM 1137 N ALA A 70 -3.915 -7.175 3.611 1.00 5.11 N ATOM 1138 CA ALA A 70 -4.489 -6.169 4.516 1.00 60.34 C ATOM 1139 C ALA A 70 -4.932 -6.798 5.842 1.00 11.20 C ATOM 1140 O ALA A 70 -4.709 -6.219 6.915 1.00 73.52 O ATOM 1141 CB ALA A 70 -5.665 -5.468 3.824 1.00 71.03 C ATOM 0 H ALA A 70 -4.435 -7.275 2.739 1.00 5.11 H new ATOM 0 HA ALA A 70 -3.720 -5.432 4.749 1.00 60.34 H new ATOM 0 HB1 ALA A 70 -6.090 -4.722 4.496 1.00 71.03 H new ATOM 0 HB2 ALA A 70 -5.314 -4.980 2.915 1.00 71.03 H new ATOM 0 HB3 ALA A 70 -6.428 -6.203 3.569 1.00 71.03 H new ATOM 1147 N GLU A 71 -5.559 -7.986 5.743 1.00 32.12 N ATOM 1148 CA GLU A 71 -6.042 -8.739 6.908 1.00 20.22 C ATOM 1149 C GLU A 71 -4.865 -9.221 7.754 1.00 40.13 C ATOM 1150 O GLU A 71 -4.889 -9.089 8.973 1.00 14.50 O ATOM 1151 CB GLU A 71 -6.901 -9.950 6.466 1.00 74.43 C ATOM 1152 CG GLU A 71 -7.525 -10.729 7.644 1.00 25.45 C ATOM 1153 CD GLU A 71 -8.143 -12.071 7.243 1.00 21.01 C ATOM 1154 OE1 GLU A 71 -9.259 -12.086 6.685 1.00 22.32 O ATOM 1155 OE2 GLU A 71 -7.506 -13.125 7.475 1.00 22.13 O ATOM 0 H GLU A 71 -5.743 -8.447 4.852 1.00 32.12 H new ATOM 0 HA GLU A 71 -6.663 -8.072 7.506 1.00 20.22 H new ATOM 0 HB2 GLU A 71 -7.698 -9.599 5.811 1.00 74.43 H new ATOM 0 HB3 GLU A 71 -6.282 -10.629 5.880 1.00 74.43 H new ATOM 0 HG2 GLU A 71 -6.757 -10.905 8.398 1.00 25.45 H new ATOM 0 HG3 GLU A 71 -8.293 -10.111 8.109 1.00 25.45 H new ATOM 1162 N TYR A 72 -3.838 -9.768 7.075 1.00 51.32 N ATOM 1163 CA TYR A 72 -2.637 -10.300 7.731 1.00 75.22 C ATOM 1164 C TYR A 72 -1.888 -9.182 8.469 1.00 73.20 C ATOM 1165 O TYR A 72 -1.466 -9.371 9.606 1.00 10.32 O ATOM 1166 CB TYR A 72 -1.697 -10.992 6.710 1.00 33.51 C ATOM 1167 CG TYR A 72 -0.434 -11.587 7.359 1.00 51.33 C ATOM 1168 CD1 TYR A 72 -0.490 -12.787 8.074 1.00 0.12 C ATOM 1169 CD2 TYR A 72 0.803 -10.931 7.297 1.00 31.41 C ATOM 1170 CE1 TYR A 72 0.632 -13.306 8.695 1.00 44.03 C ATOM 1171 CE2 TYR A 72 1.927 -11.455 7.914 1.00 41.12 C ATOM 1172 CZ TYR A 72 1.835 -12.640 8.610 1.00 32.35 C ATOM 1173 OH TYR A 72 2.951 -13.150 9.242 1.00 54.21 O ATOM 0 H TYR A 72 -3.822 -9.851 6.059 1.00 51.32 H new ATOM 0 HA TYR A 72 -2.958 -11.048 8.456 1.00 75.22 H new ATOM 0 HB2 TYR A 72 -2.244 -11.785 6.201 1.00 33.51 H new ATOM 0 HB3 TYR A 72 -1.401 -10.269 5.949 1.00 33.51 H new ATOM 0 HD1 TYR A 72 -1.427 -13.319 8.143 1.00 0.12 H new ATOM 0 HD2 TYR A 72 0.881 -9.999 6.758 1.00 31.41 H new ATOM 0 HE1 TYR A 72 0.565 -14.232 9.246 1.00 44.03 H new ATOM 0 HE2 TYR A 72 2.872 -10.936 7.850 1.00 41.12 H new ATOM 0 HH TYR A 72 3.077 -12.696 10.101 1.00 54.21 H new ATOM 1183 N ALA A 73 -1.755 -8.030 7.807 1.00 33.21 N ATOM 1184 CA ALA A 73 -1.096 -6.848 8.370 1.00 42.21 C ATOM 1185 C ALA A 73 -1.806 -6.400 9.665 1.00 24.31 C ATOM 1186 O ALA A 73 -1.166 -6.214 10.700 1.00 41.00 O ATOM 1187 CB ALA A 73 -1.090 -5.727 7.330 1.00 72.04 C ATOM 0 H ALA A 73 -2.104 -7.890 6.859 1.00 33.21 H new ATOM 0 HA ALA A 73 -0.066 -7.095 8.626 1.00 42.21 H new ATOM 0 HB1 ALA A 73 -0.600 -4.847 7.747 1.00 72.04 H new ATOM 0 HB2 ALA A 73 -0.550 -6.057 6.443 1.00 72.04 H new ATOM 0 HB3 ALA A 73 -2.116 -5.477 7.058 1.00 72.04 H new ATOM 1193 N GLN A 74 -3.146 -6.309 9.587 1.00 71.21 N ATOM 1194 CA GLN A 74 -4.006 -5.939 10.727 1.00 51.24 C ATOM 1195 C GLN A 74 -3.963 -7.028 11.829 1.00 74.30 C ATOM 1196 O GLN A 74 -4.064 -6.723 13.021 1.00 3.54 O ATOM 1197 CB GLN A 74 -5.458 -5.721 10.224 1.00 42.41 C ATOM 1198 CG GLN A 74 -6.425 -5.142 11.270 1.00 45.13 C ATOM 1199 CD GLN A 74 -7.830 -4.911 10.718 1.00 22.53 C ATOM 1200 OE1 GLN A 74 -8.693 -5.783 10.788 1.00 1.24 O ATOM 1201 NE2 GLN A 74 -8.072 -3.740 10.155 1.00 33.34 N ATOM 0 H GLN A 74 -3.665 -6.491 8.728 1.00 71.21 H new ATOM 0 HA GLN A 74 -3.636 -5.013 11.167 1.00 51.24 H new ATOM 0 HB2 GLN A 74 -5.433 -5.052 9.364 1.00 42.41 H new ATOM 0 HB3 GLN A 74 -5.853 -6.675 9.874 1.00 42.41 H new ATOM 0 HG2 GLN A 74 -6.482 -5.822 12.120 1.00 45.13 H new ATOM 0 HG3 GLN A 74 -6.027 -4.198 11.642 1.00 45.13 H new ATOM 0 HE21 GLN A 74 -7.337 -3.034 10.110 1.00 33.34 H new ATOM 0 HE22 GLN A 74 -8.994 -3.542 9.765 1.00 33.34 H new ATOM 1210 N LYS A 75 -3.773 -8.288 11.394 1.00 24.35 N ATOM 1211 CA LYS A 75 -3.712 -9.477 12.275 1.00 54.05 C ATOM 1212 C LYS A 75 -2.439 -9.447 13.135 1.00 23.13 C ATOM 1213 O LYS A 75 -2.440 -9.886 14.288 1.00 1.45 O ATOM 1214 CB LYS A 75 -3.758 -10.761 11.413 1.00 31.11 C ATOM 1215 CG LYS A 75 -4.097 -12.064 12.174 1.00 63.11 C ATOM 1216 CD LYS A 75 -4.192 -13.282 11.224 1.00 1.40 C ATOM 1217 CE LYS A 75 -5.168 -13.051 10.052 1.00 12.22 C ATOM 1218 NZ LYS A 75 -6.576 -12.832 10.495 1.00 30.41 N ATOM 0 H LYS A 75 -3.655 -8.515 10.407 1.00 24.35 H new ATOM 0 HA LYS A 75 -4.571 -9.468 12.946 1.00 54.05 H new ATOM 0 HB2 LYS A 75 -4.495 -10.620 10.623 1.00 31.11 H new ATOM 0 HB3 LYS A 75 -2.790 -10.886 10.927 1.00 31.11 H new ATOM 0 HG2 LYS A 75 -3.334 -12.252 12.929 1.00 63.11 H new ATOM 0 HG3 LYS A 75 -5.043 -11.940 12.701 1.00 63.11 H new ATOM 0 HD2 LYS A 75 -3.202 -13.506 10.827 1.00 1.40 H new ATOM 0 HD3 LYS A 75 -4.513 -14.156 11.791 1.00 1.40 H new ATOM 0 HE2 LYS A 75 -4.836 -12.187 9.476 1.00 12.22 H new ATOM 0 HE3 LYS A 75 -5.134 -13.912 9.384 1.00 12.22 H new ATOM 0 HZ1 LYS A 75 -7.209 -12.869 9.671 1.00 30.41 H new ATOM 0 HZ2 LYS A 75 -6.846 -13.573 11.172 1.00 30.41 H new ATOM 0 HZ3 LYS A 75 -6.656 -11.901 10.951 1.00 30.41 H new ATOM 1232 N GLU A 76 -1.357 -8.908 12.547 1.00 72.51 N ATOM 1233 CA GLU A 76 -0.072 -8.702 13.235 1.00 63.13 C ATOM 1234 C GLU A 76 -0.124 -7.436 14.124 1.00 54.11 C ATOM 1235 O GLU A 76 0.814 -7.166 14.875 1.00 64.43 O ATOM 1236 CB GLU A 76 1.062 -8.582 12.181 1.00 22.32 C ATOM 1237 CG GLU A 76 1.188 -9.766 11.198 1.00 73.54 C ATOM 1238 CD GLU A 76 1.607 -11.095 11.847 1.00 21.13 C ATOM 1239 OE1 GLU A 76 0.750 -11.797 12.423 1.00 44.53 O ATOM 1240 OE2 GLU A 76 2.793 -11.460 11.767 1.00 70.41 O ATOM 0 H GLU A 76 -1.350 -8.601 11.574 1.00 72.51 H new ATOM 0 HA GLU A 76 0.127 -9.556 13.882 1.00 63.13 H new ATOM 0 HB2 GLU A 76 0.903 -7.670 11.605 1.00 22.32 H new ATOM 0 HB3 GLU A 76 2.010 -8.466 12.706 1.00 22.32 H new ATOM 0 HG2 GLU A 76 0.231 -9.908 10.696 1.00 73.54 H new ATOM 0 HG3 GLU A 76 1.916 -9.507 10.429 1.00 73.54 H new ATOM 1247 N GLY A 77 -1.233 -6.669 14.014 1.00 0.22 N ATOM 1248 CA GLY A 77 -1.438 -5.438 14.784 1.00 1.24 C ATOM 1249 C GLY A 77 -0.818 -4.217 14.120 1.00 60.42 C ATOM 1250 O GLY A 77 -0.715 -3.150 14.739 1.00 40.41 O ATOM 0 H GLY A 77 -2.006 -6.893 13.387 1.00 0.22 H new ATOM 0 HA2 GLY A 77 -2.507 -5.271 14.915 1.00 1.24 H new ATOM 0 HA3 GLY A 77 -1.010 -5.562 15.779 1.00 1.24 H new ATOM 1254 N LEU A 78 -0.414 -4.380 12.847 1.00 73.41 N ATOM 1255 CA LEU A 78 0.303 -3.353 12.070 1.00 62.01 C ATOM 1256 C LEU A 78 -0.692 -2.373 11.443 1.00 23.23 C ATOM 1257 O LEU A 78 -1.783 -2.778 11.021 1.00 40.14 O ATOM 1258 CB LEU A 78 1.174 -4.013 10.963 1.00 73.44 C ATOM 1259 CG LEU A 78 2.111 -5.166 11.434 1.00 2.24 C ATOM 1260 CD1 LEU A 78 3.013 -5.666 10.294 1.00 12.43 C ATOM 1261 CD2 LEU A 78 2.937 -4.759 12.667 1.00 34.32 C ATOM 0 H LEU A 78 -0.578 -5.239 12.323 1.00 73.41 H new ATOM 0 HA LEU A 78 0.959 -2.805 12.746 1.00 62.01 H new ATOM 0 HB2 LEU A 78 0.512 -4.402 10.190 1.00 73.44 H new ATOM 0 HB3 LEU A 78 1.786 -3.239 10.499 1.00 73.44 H new ATOM 0 HG LEU A 78 1.472 -5.997 11.731 1.00 2.24 H new ATOM 0 HD11 LEU A 78 3.652 -6.469 10.661 1.00 12.43 H new ATOM 0 HD12 LEU A 78 2.395 -6.038 9.477 1.00 12.43 H new ATOM 0 HD13 LEU A 78 3.633 -4.845 9.934 1.00 12.43 H new ATOM 0 HD21 LEU A 78 3.578 -5.589 12.966 1.00 34.32 H new ATOM 0 HD22 LEU A 78 3.553 -3.894 12.423 1.00 34.32 H new ATOM 0 HD23 LEU A 78 2.265 -4.506 13.487 1.00 34.32 H new ATOM 1273 N ARG A 79 -0.295 -1.097 11.381 1.00 31.45 N ATOM 1274 CA ARG A 79 -1.137 -0.012 10.869 1.00 13.12 C ATOM 1275 C ARG A 79 -1.260 -0.147 9.330 1.00 70.23 C ATOM 1276 O ARG A 79 -0.268 -0.004 8.610 1.00 24.33 O ATOM 1277 CB ARG A 79 -0.526 1.366 11.306 1.00 13.31 C ATOM 1278 CG ARG A 79 -1.556 2.450 11.699 1.00 11.12 C ATOM 1279 CD ARG A 79 -2.499 2.837 10.553 1.00 4.22 C ATOM 1280 NE ARG A 79 -3.451 3.886 10.948 1.00 54.10 N ATOM 1281 CZ ARG A 79 -3.803 4.939 10.188 1.00 53.43 C ATOM 1282 NH1 ARG A 79 -3.282 5.110 8.978 1.00 53.32 N ATOM 1283 NH2 ARG A 79 -4.692 5.802 10.651 1.00 52.32 N ATOM 0 H ARG A 79 0.627 -0.787 11.687 1.00 31.45 H new ATOM 0 HA ARG A 79 -2.143 -0.070 11.285 1.00 13.12 H new ATOM 0 HB2 ARG A 79 0.140 1.197 12.152 1.00 13.31 H new ATOM 0 HB3 ARG A 79 0.086 1.749 10.489 1.00 13.31 H new ATOM 0 HG2 ARG A 79 -2.148 2.091 12.541 1.00 11.12 H new ATOM 0 HG3 ARG A 79 -1.025 3.339 12.039 1.00 11.12 H new ATOM 0 HD2 ARG A 79 -1.912 3.183 9.702 1.00 4.22 H new ATOM 0 HD3 ARG A 79 -3.049 1.955 10.223 1.00 4.22 H new ATOM 0 HE ARG A 79 -3.878 3.809 11.871 1.00 54.10 H new ATOM 0 HH11 ARG A 79 -2.606 4.438 8.614 1.00 53.32 H new ATOM 0 HH12 ARG A 79 -3.558 5.913 8.413 1.00 53.32 H new ATOM 0 HH21 ARG A 79 -5.102 5.665 11.575 1.00 52.32 H new ATOM 0 HH22 ARG A 79 -4.967 6.604 10.084 1.00 52.32 H new ATOM 1297 N VAL A 80 -2.483 -0.439 8.848 1.00 52.44 N ATOM 1298 CA VAL A 80 -2.754 -0.713 7.426 1.00 54.44 C ATOM 1299 C VAL A 80 -3.237 0.568 6.720 1.00 11.35 C ATOM 1300 O VAL A 80 -4.244 1.168 7.122 1.00 61.43 O ATOM 1301 CB VAL A 80 -3.835 -1.848 7.254 1.00 11.41 C ATOM 1302 CG1 VAL A 80 -3.979 -2.270 5.771 1.00 72.55 C ATOM 1303 CG2 VAL A 80 -3.513 -3.062 8.151 1.00 60.32 C ATOM 0 H VAL A 80 -3.314 -0.491 9.438 1.00 52.44 H new ATOM 0 HA VAL A 80 -1.823 -1.053 6.972 1.00 54.44 H new ATOM 0 HB VAL A 80 -4.794 -1.442 7.574 1.00 11.41 H new ATOM 0 HG11 VAL A 80 -4.732 -3.054 5.687 1.00 72.55 H new ATOM 0 HG12 VAL A 80 -4.284 -1.409 5.176 1.00 72.55 H new ATOM 0 HG13 VAL A 80 -3.023 -2.644 5.405 1.00 72.55 H new ATOM 0 HG21 VAL A 80 -4.275 -3.829 8.012 1.00 60.32 H new ATOM 0 HG22 VAL A 80 -2.537 -3.466 7.880 1.00 60.32 H new ATOM 0 HG23 VAL A 80 -3.499 -2.749 9.195 1.00 60.32 H new ATOM 1313 N ILE A 81 -2.489 0.989 5.686 1.00 3.24 N ATOM 1314 CA ILE A 81 -2.836 2.129 4.825 1.00 25.33 C ATOM 1315 C ILE A 81 -3.060 1.590 3.401 1.00 50.53 C ATOM 1316 O ILE A 81 -2.125 1.107 2.785 1.00 62.23 O ATOM 1317 CB ILE A 81 -1.703 3.242 4.801 1.00 34.11 C ATOM 1318 CG1 ILE A 81 -1.533 3.974 6.181 1.00 42.32 C ATOM 1319 CG2 ILE A 81 -1.955 4.266 3.678 1.00 50.45 C ATOM 1320 CD1 ILE A 81 -0.774 3.193 7.241 1.00 1.13 C ATOM 0 H ILE A 81 -1.613 0.539 5.422 1.00 3.24 H new ATOM 0 HA ILE A 81 -3.734 2.604 5.221 1.00 25.33 H new ATOM 0 HB ILE A 81 -0.768 2.719 4.601 1.00 34.11 H new ATOM 0 HG12 ILE A 81 -1.018 4.919 6.011 1.00 42.32 H new ATOM 0 HG13 ILE A 81 -2.522 4.216 6.570 1.00 42.32 H new ATOM 0 HG21 ILE A 81 -1.164 5.016 3.685 1.00 50.45 H new ATOM 0 HG22 ILE A 81 -1.962 3.755 2.715 1.00 50.45 H new ATOM 0 HG23 ILE A 81 -2.917 4.752 3.838 1.00 50.45 H new ATOM 0 HD11 ILE A 81 -0.712 3.785 8.154 1.00 1.13 H new ATOM 0 HD12 ILE A 81 -1.296 2.259 7.449 1.00 1.13 H new ATOM 0 HD13 ILE A 81 0.231 2.974 6.881 1.00 1.13 H new ATOM 1332 N VAL A 82 -4.293 1.664 2.893 1.00 2.32 N ATOM 1333 CA VAL A 82 -4.644 1.181 1.543 1.00 63.10 C ATOM 1334 C VAL A 82 -4.842 2.399 0.614 1.00 54.14 C ATOM 1335 O VAL A 82 -5.714 3.203 0.865 1.00 10.14 O ATOM 1336 CB VAL A 82 -5.951 0.292 1.599 1.00 34.33 C ATOM 1337 CG1 VAL A 82 -6.332 -0.251 0.207 1.00 74.12 C ATOM 1338 CG2 VAL A 82 -5.799 -0.866 2.620 1.00 5.34 C ATOM 0 H VAL A 82 -5.082 2.061 3.403 1.00 2.32 H new ATOM 0 HA VAL A 82 -3.839 0.559 1.152 1.00 63.10 H new ATOM 0 HB VAL A 82 -6.764 0.936 1.935 1.00 34.33 H new ATOM 0 HG11 VAL A 82 -7.235 -0.857 0.287 1.00 74.12 H new ATOM 0 HG12 VAL A 82 -6.513 0.583 -0.472 1.00 74.12 H new ATOM 0 HG13 VAL A 82 -5.518 -0.863 -0.180 1.00 74.12 H new ATOM 0 HG21 VAL A 82 -6.713 -1.459 2.636 1.00 5.34 H new ATOM 0 HG22 VAL A 82 -4.961 -1.499 2.330 1.00 5.34 H new ATOM 0 HG23 VAL A 82 -5.616 -0.454 3.613 1.00 5.34 H new ATOM 1348 N ILE A 83 -4.001 2.565 -0.426 1.00 74.30 N ATOM 1349 CA ILE A 83 -4.073 3.720 -1.357 1.00 62.32 C ATOM 1350 C ILE A 83 -4.387 3.228 -2.782 1.00 53.20 C ATOM 1351 O ILE A 83 -3.550 2.589 -3.410 1.00 2.43 O ATOM 1352 CB ILE A 83 -2.721 4.543 -1.365 1.00 22.24 C ATOM 1353 CG1 ILE A 83 -2.330 4.965 0.089 1.00 71.03 C ATOM 1354 CG2 ILE A 83 -2.822 5.781 -2.298 1.00 41.30 C ATOM 1355 CD1 ILE A 83 -0.981 5.649 0.226 1.00 14.50 C ATOM 0 H ILE A 83 -3.254 1.907 -0.648 1.00 74.30 H new ATOM 0 HA ILE A 83 -4.870 4.378 -1.011 1.00 62.32 H new ATOM 0 HB ILE A 83 -1.934 3.900 -1.758 1.00 22.24 H new ATOM 0 HG12 ILE A 83 -3.099 5.634 0.475 1.00 71.03 H new ATOM 0 HG13 ILE A 83 -2.334 4.077 0.721 1.00 71.03 H new ATOM 0 HG21 ILE A 83 -1.878 6.326 -2.283 1.00 41.30 H new ATOM 0 HG22 ILE A 83 -3.035 5.453 -3.316 1.00 41.30 H new ATOM 0 HG23 ILE A 83 -3.624 6.433 -1.951 1.00 41.30 H new ATOM 0 HD11 ILE A 83 -0.805 5.901 1.272 1.00 14.50 H new ATOM 0 HD12 ILE A 83 -0.196 4.978 -0.123 1.00 14.50 H new ATOM 0 HD13 ILE A 83 -0.972 6.560 -0.373 1.00 14.50 H new ATOM 1367 N ILE A 84 -5.603 3.516 -3.277 1.00 70.04 N ATOM 1368 CA ILE A 84 -6.012 3.155 -4.648 1.00 71.44 C ATOM 1369 C ILE A 84 -5.668 4.335 -5.579 1.00 3.33 C ATOM 1370 O ILE A 84 -5.990 5.483 -5.266 1.00 52.24 O ATOM 1371 CB ILE A 84 -7.552 2.787 -4.770 1.00 75.34 C ATOM 1372 CG1 ILE A 84 -7.926 1.528 -3.913 1.00 15.44 C ATOM 1373 CG2 ILE A 84 -7.952 2.548 -6.252 1.00 4.32 C ATOM 1374 CD1 ILE A 84 -7.926 1.729 -2.408 1.00 62.51 C ATOM 0 H ILE A 84 -6.325 4.001 -2.745 1.00 70.04 H new ATOM 0 HA ILE A 84 -5.469 2.255 -4.936 1.00 71.44 H new ATOM 0 HB ILE A 84 -8.109 3.639 -4.381 1.00 75.34 H new ATOM 0 HG12 ILE A 84 -8.916 1.188 -4.215 1.00 15.44 H new ATOM 0 HG13 ILE A 84 -7.227 0.727 -4.154 1.00 15.44 H new ATOM 0 HG21 ILE A 84 -9.011 2.298 -6.307 1.00 4.32 H new ATOM 0 HG22 ILE A 84 -7.762 3.452 -6.830 1.00 4.32 H new ATOM 0 HG23 ILE A 84 -7.363 1.726 -6.660 1.00 4.32 H new ATOM 0 HD11 ILE A 84 -8.198 0.795 -1.916 1.00 62.51 H new ATOM 0 HD12 ILE A 84 -6.932 2.035 -2.082 1.00 62.51 H new ATOM 0 HD13 ILE A 84 -8.648 2.502 -2.144 1.00 62.51 H new ATOM 1386 N VAL A 85 -4.996 4.026 -6.702 1.00 3.41 N ATOM 1387 CA VAL A 85 -4.524 4.998 -7.691 1.00 15.23 C ATOM 1388 C VAL A 85 -5.221 4.681 -9.023 1.00 53.43 C ATOM 1389 O VAL A 85 -4.853 3.714 -9.690 1.00 43.03 O ATOM 1390 CB VAL A 85 -2.958 4.887 -7.879 1.00 64.44 C ATOM 1391 CG1 VAL A 85 -2.411 6.022 -8.778 1.00 31.41 C ATOM 1392 CG2 VAL A 85 -2.231 4.810 -6.512 1.00 14.12 C ATOM 0 H VAL A 85 -4.762 3.064 -6.949 1.00 3.41 H new ATOM 0 HA VAL A 85 -4.755 6.009 -7.357 1.00 15.23 H new ATOM 0 HB VAL A 85 -2.750 3.952 -8.400 1.00 64.44 H new ATOM 0 HG11 VAL A 85 -1.332 5.913 -8.885 1.00 31.41 H new ATOM 0 HG12 VAL A 85 -2.880 5.966 -9.760 1.00 31.41 H new ATOM 0 HG13 VAL A 85 -2.635 6.987 -8.323 1.00 31.41 H new ATOM 0 HG21 VAL A 85 -1.156 4.734 -6.675 1.00 14.12 H new ATOM 0 HG22 VAL A 85 -2.448 5.708 -5.933 1.00 14.12 H new ATOM 0 HG23 VAL A 85 -2.577 3.933 -5.965 1.00 14.12 H new ATOM 1402 N SER A 86 -6.247 5.455 -9.386 1.00 34.32 N ATOM 1403 CA SER A 86 -7.037 5.213 -10.607 1.00 63.23 C ATOM 1404 C SER A 86 -7.602 6.535 -11.139 1.00 21.13 C ATOM 1405 O SER A 86 -8.051 7.389 -10.364 1.00 63.20 O ATOM 1406 CB SER A 86 -8.205 4.228 -10.325 1.00 22.22 C ATOM 1407 OG SER A 86 -7.752 2.942 -9.916 1.00 20.52 O ATOM 0 H SER A 86 -6.556 6.265 -8.848 1.00 34.32 H new ATOM 0 HA SER A 86 -6.378 4.770 -11.354 1.00 63.23 H new ATOM 0 HB2 SER A 86 -8.848 4.646 -9.550 1.00 22.22 H new ATOM 0 HB3 SER A 86 -8.814 4.126 -11.223 1.00 22.22 H new ATOM 0 HG SER A 86 -8.507 2.318 -9.904 1.00 20.52 H new ATOM 1413 N GLN A 87 -7.561 6.682 -12.476 1.00 22.24 N ATOM 1414 CA GLN A 87 -8.209 7.786 -13.207 1.00 14.54 C ATOM 1415 C GLN A 87 -9.735 7.819 -12.945 1.00 22.44 C ATOM 1416 O GLN A 87 -10.341 8.892 -12.848 1.00 71.30 O ATOM 1417 CB GLN A 87 -7.912 7.641 -14.727 1.00 71.42 C ATOM 1418 CG GLN A 87 -8.329 6.275 -15.324 1.00 55.22 C ATOM 1419 CD GLN A 87 -8.134 6.132 -16.836 1.00 60.13 C ATOM 1420 OE1 GLN A 87 -7.232 6.731 -17.432 1.00 0.02 O ATOM 1421 NE2 GLN A 87 -8.987 5.332 -17.468 1.00 42.41 N ATOM 0 H GLN A 87 -7.070 6.029 -13.087 1.00 22.24 H new ATOM 0 HA GLN A 87 -7.801 8.731 -12.848 1.00 14.54 H new ATOM 0 HB2 GLN A 87 -8.431 8.434 -15.265 1.00 71.42 H new ATOM 0 HB3 GLN A 87 -6.845 7.788 -14.894 1.00 71.42 H new ATOM 0 HG2 GLN A 87 -7.759 5.491 -14.826 1.00 55.22 H new ATOM 0 HG3 GLN A 87 -9.380 6.102 -15.092 1.00 55.22 H new ATOM 0 HE21 GLN A 87 -9.720 4.853 -16.945 1.00 42.41 H new ATOM 0 HE22 GLN A 87 -8.909 5.197 -18.476 1.00 42.41 H new ATOM 1430 N ASP A 88 -10.333 6.624 -12.825 1.00 62.13 N ATOM 1431 CA ASP A 88 -11.762 6.451 -12.547 1.00 32.32 C ATOM 1432 C ASP A 88 -12.027 6.599 -11.047 1.00 44.14 C ATOM 1433 O ASP A 88 -11.459 5.856 -10.234 1.00 11.15 O ATOM 1434 CB ASP A 88 -12.243 5.063 -13.032 1.00 71.41 C ATOM 1435 CG ASP A 88 -12.216 4.931 -14.561 1.00 30.15 C ATOM 1436 OD1 ASP A 88 -13.224 5.274 -15.213 1.00 34.14 O ATOM 1437 OD2 ASP A 88 -11.190 4.490 -15.121 1.00 44.15 O ATOM 0 H ASP A 88 -9.830 5.742 -12.920 1.00 62.13 H new ATOM 0 HA ASP A 88 -12.315 7.221 -13.085 1.00 32.32 H new ATOM 0 HB2 ASP A 88 -11.612 4.290 -12.593 1.00 71.41 H new ATOM 0 HB3 ASP A 88 -13.257 4.888 -12.674 1.00 71.41 H new ATOM 1442 N GLU A 89 -12.905 7.548 -10.709 1.00 1.14 N ATOM 1443 CA GLU A 89 -13.331 7.823 -9.327 1.00 65.41 C ATOM 1444 C GLU A 89 -14.194 6.678 -8.767 1.00 12.21 C ATOM 1445 O GLU A 89 -14.319 6.545 -7.562 1.00 60.32 O ATOM 1446 CB GLU A 89 -14.082 9.171 -9.265 1.00 11.40 C ATOM 1447 CG GLU A 89 -13.262 10.366 -9.800 1.00 51.12 C ATOM 1448 CD GLU A 89 -14.027 11.697 -9.752 1.00 23.41 C ATOM 1449 OE1 GLU A 89 -15.113 11.779 -10.363 1.00 71.34 O ATOM 1450 OE2 GLU A 89 -13.542 12.664 -9.122 1.00 73.41 O ATOM 0 H GLU A 89 -13.348 8.158 -11.396 1.00 1.14 H new ATOM 0 HA GLU A 89 -12.442 7.891 -8.700 1.00 65.41 H new ATOM 0 HB2 GLU A 89 -15.005 9.089 -9.839 1.00 11.40 H new ATOM 0 HB3 GLU A 89 -14.366 9.371 -8.232 1.00 11.40 H new ATOM 0 HG2 GLU A 89 -12.346 10.460 -9.216 1.00 51.12 H new ATOM 0 HG3 GLU A 89 -12.965 10.162 -10.829 1.00 51.12 H new ATOM 1457 N GLU A 90 -14.803 5.872 -9.660 1.00 43.31 N ATOM 1458 CA GLU A 90 -15.541 4.655 -9.264 1.00 33.21 C ATOM 1459 C GLU A 90 -14.593 3.559 -8.747 1.00 51.05 C ATOM 1460 O GLU A 90 -14.930 2.850 -7.798 1.00 31.52 O ATOM 1461 CB GLU A 90 -16.391 4.113 -10.437 1.00 0.40 C ATOM 1462 CG GLU A 90 -17.596 4.994 -10.807 1.00 42.22 C ATOM 1463 CD GLU A 90 -18.593 5.184 -9.645 1.00 31.34 C ATOM 1464 OE1 GLU A 90 -19.330 4.228 -9.323 1.00 44.30 O ATOM 1465 OE2 GLU A 90 -18.639 6.276 -9.039 1.00 32.02 O ATOM 0 H GLU A 90 -14.798 6.043 -10.666 1.00 43.31 H new ATOM 0 HA GLU A 90 -16.209 4.937 -8.450 1.00 33.21 H new ATOM 0 HB2 GLU A 90 -15.752 4.005 -11.314 1.00 0.40 H new ATOM 0 HB3 GLU A 90 -16.750 3.116 -10.180 1.00 0.40 H new ATOM 0 HG2 GLU A 90 -17.237 5.971 -11.132 1.00 42.22 H new ATOM 0 HG3 GLU A 90 -18.117 4.548 -11.654 1.00 42.22 H new ATOM 1472 N ALA A 91 -13.420 3.420 -9.384 1.00 54.55 N ATOM 1473 CA ALA A 91 -12.389 2.457 -8.954 1.00 14.12 C ATOM 1474 C ALA A 91 -11.788 2.883 -7.597 1.00 12.04 C ATOM 1475 O ALA A 91 -11.477 2.041 -6.746 1.00 11.24 O ATOM 1476 CB ALA A 91 -11.311 2.329 -10.034 1.00 43.54 C ATOM 0 H ALA A 91 -13.159 3.966 -10.205 1.00 54.55 H new ATOM 0 HA ALA A 91 -12.846 1.477 -8.817 1.00 14.12 H new ATOM 0 HB1 ALA A 91 -10.553 1.616 -9.709 1.00 43.54 H new ATOM 0 HB2 ALA A 91 -11.765 1.979 -10.961 1.00 43.54 H new ATOM 0 HB3 ALA A 91 -10.847 3.301 -10.202 1.00 43.54 H new ATOM 1482 N LEU A 92 -11.660 4.217 -7.419 1.00 43.12 N ATOM 1483 CA LEU A 92 -11.260 4.833 -6.139 1.00 2.42 C ATOM 1484 C LEU A 92 -12.320 4.562 -5.052 1.00 33.35 C ATOM 1485 O LEU A 92 -11.990 4.161 -3.940 1.00 11.24 O ATOM 1486 CB LEU A 92 -11.078 6.372 -6.314 1.00 34.44 C ATOM 1487 CG LEU A 92 -9.993 6.831 -7.333 1.00 21.04 C ATOM 1488 CD1 LEU A 92 -9.875 8.371 -7.383 1.00 24.40 C ATOM 1489 CD2 LEU A 92 -8.641 6.179 -7.021 1.00 71.12 C ATOM 0 H LEU A 92 -11.832 4.895 -8.161 1.00 43.12 H new ATOM 0 HA LEU A 92 -10.313 4.390 -5.830 1.00 2.42 H new ATOM 0 HB2 LEU A 92 -12.034 6.796 -6.619 1.00 34.44 H new ATOM 0 HB3 LEU A 92 -10.836 6.800 -5.341 1.00 34.44 H new ATOM 0 HG LEU A 92 -10.307 6.499 -8.323 1.00 21.04 H new ATOM 0 HD11 LEU A 92 -9.109 8.654 -8.104 1.00 24.40 H new ATOM 0 HD12 LEU A 92 -10.831 8.800 -7.683 1.00 24.40 H new ATOM 0 HD13 LEU A 92 -9.602 8.747 -6.397 1.00 24.40 H new ATOM 0 HD21 LEU A 92 -7.899 6.515 -7.746 1.00 71.12 H new ATOM 0 HD22 LEU A 92 -8.323 6.463 -6.018 1.00 71.12 H new ATOM 0 HD23 LEU A 92 -8.738 5.095 -7.077 1.00 71.12 H new ATOM 1501 N ARG A 93 -13.586 4.767 -5.443 1.00 73.41 N ATOM 1502 CA ARG A 93 -14.773 4.685 -4.568 1.00 33.21 C ATOM 1503 C ARG A 93 -14.950 3.273 -3.977 1.00 73.14 C ATOM 1504 O ARG A 93 -15.194 3.131 -2.774 1.00 44.43 O ATOM 1505 CB ARG A 93 -16.011 5.097 -5.403 1.00 32.22 C ATOM 1506 CG ARG A 93 -17.367 5.055 -4.685 1.00 32.12 C ATOM 1507 CD ARG A 93 -18.527 5.417 -5.632 1.00 13.43 C ATOM 1508 NE ARG A 93 -19.851 5.208 -5.018 1.00 1.25 N ATOM 1509 CZ ARG A 93 -20.990 5.018 -5.710 1.00 10.33 C ATOM 1510 NH1 ARG A 93 -20.987 5.000 -7.042 1.00 63.30 N ATOM 1511 NH2 ARG A 93 -22.133 4.850 -5.060 1.00 10.25 N ATOM 0 H ARG A 93 -13.824 5.002 -6.407 1.00 73.41 H new ATOM 0 HA ARG A 93 -14.648 5.359 -3.721 1.00 33.21 H new ATOM 0 HB2 ARG A 93 -15.852 6.110 -5.772 1.00 32.22 H new ATOM 0 HB3 ARG A 93 -16.066 4.445 -6.275 1.00 32.22 H new ATOM 0 HG2 ARG A 93 -17.530 4.059 -4.275 1.00 32.12 H new ATOM 0 HG3 ARG A 93 -17.355 5.748 -3.844 1.00 32.12 H new ATOM 0 HD2 ARG A 93 -18.432 6.460 -5.934 1.00 13.43 H new ATOM 0 HD3 ARG A 93 -18.452 4.815 -6.538 1.00 13.43 H new ATOM 0 HE ARG A 93 -19.908 5.207 -4.000 1.00 1.25 H new ATOM 0 HH11 ARG A 93 -20.113 5.131 -7.552 1.00 63.30 H new ATOM 0 HH12 ARG A 93 -21.858 4.855 -7.552 1.00 63.30 H new ATOM 0 HH21 ARG A 93 -22.147 4.865 -4.040 1.00 10.25 H new ATOM 0 HH22 ARG A 93 -22.999 4.706 -5.580 1.00 10.25 H new ATOM 1525 N LYS A 94 -14.798 2.244 -4.837 1.00 12.45 N ATOM 1526 CA LYS A 94 -14.924 0.831 -4.427 1.00 23.03 C ATOM 1527 C LYS A 94 -13.863 0.492 -3.376 1.00 51.54 C ATOM 1528 O LYS A 94 -14.193 0.051 -2.279 1.00 53.35 O ATOM 1529 CB LYS A 94 -14.743 -0.107 -5.648 1.00 51.23 C ATOM 1530 CG LYS A 94 -15.874 -0.061 -6.691 1.00 54.25 C ATOM 1531 CD LYS A 94 -15.563 -0.945 -7.924 1.00 23.13 C ATOM 1532 CE LYS A 94 -15.304 -2.422 -7.564 1.00 51.14 C ATOM 1533 NZ LYS A 94 -14.960 -3.240 -8.760 1.00 4.23 N ATOM 0 H LYS A 94 -14.586 2.368 -5.827 1.00 12.45 H new ATOM 0 HA LYS A 94 -15.919 0.686 -4.006 1.00 23.03 H new ATOM 0 HB2 LYS A 94 -13.805 0.146 -6.143 1.00 51.23 H new ATOM 0 HB3 LYS A 94 -14.647 -1.131 -5.287 1.00 51.23 H new ATOM 0 HG2 LYS A 94 -16.805 -0.394 -6.232 1.00 54.25 H new ATOM 0 HG3 LYS A 94 -16.028 0.969 -7.013 1.00 54.25 H new ATOM 0 HD2 LYS A 94 -16.398 -0.889 -8.623 1.00 23.13 H new ATOM 0 HD3 LYS A 94 -14.689 -0.545 -8.439 1.00 23.13 H new ATOM 0 HE2 LYS A 94 -14.492 -2.481 -6.840 1.00 51.14 H new ATOM 0 HE3 LYS A 94 -16.190 -2.838 -7.084 1.00 51.14 H new ATOM 0 HZ1 LYS A 94 -14.794 -4.225 -8.471 1.00 4.23 H new ATOM 0 HZ2 LYS A 94 -15.745 -3.206 -9.441 1.00 4.23 H new ATOM 0 HZ3 LYS A 94 -14.100 -2.860 -9.205 1.00 4.23 H new ATOM 1547 N GLY A 95 -12.593 0.784 -3.719 1.00 61.43 N ATOM 1548 CA GLY A 95 -11.458 0.463 -2.858 1.00 11.51 C ATOM 1549 C GLY A 95 -11.455 1.256 -1.562 1.00 13.51 C ATOM 1550 O GLY A 95 -10.934 0.790 -0.539 1.00 21.10 O ATOM 0 H GLY A 95 -12.336 1.244 -4.592 1.00 61.43 H new ATOM 0 HA2 GLY A 95 -11.474 -0.602 -2.626 1.00 11.51 H new ATOM 0 HA3 GLY A 95 -10.532 0.657 -3.399 1.00 11.51 H new ATOM 1554 N TYR A 96 -12.039 2.467 -1.619 1.00 53.33 N ATOM 1555 CA TYR A 96 -12.125 3.361 -0.460 1.00 21.32 C ATOM 1556 C TYR A 96 -13.083 2.790 0.577 1.00 44.24 C ATOM 1557 O TYR A 96 -12.669 2.463 1.683 1.00 72.40 O ATOM 1558 CB TYR A 96 -12.568 4.778 -0.901 1.00 32.21 C ATOM 1559 CG TYR A 96 -12.676 5.815 0.232 1.00 31.34 C ATOM 1560 CD1 TYR A 96 -11.548 6.213 0.961 1.00 21.42 C ATOM 1561 CD2 TYR A 96 -13.902 6.404 0.560 1.00 4.54 C ATOM 1562 CE1 TYR A 96 -11.648 7.148 1.977 1.00 41.11 C ATOM 1563 CE2 TYR A 96 -14.001 7.339 1.572 1.00 60.44 C ATOM 1564 CZ TYR A 96 -12.875 7.714 2.272 1.00 40.12 C ATOM 1565 OH TYR A 96 -12.980 8.650 3.282 1.00 11.43 O ATOM 0 H TYR A 96 -12.461 2.847 -2.466 1.00 53.33 H new ATOM 0 HA TYR A 96 -11.138 3.441 -0.005 1.00 21.32 H new ATOM 0 HB2 TYR A 96 -11.861 5.147 -1.643 1.00 32.21 H new ATOM 0 HB3 TYR A 96 -13.537 4.701 -1.395 1.00 32.21 H new ATOM 0 HD1 TYR A 96 -10.585 5.784 0.727 1.00 21.42 H new ATOM 0 HD2 TYR A 96 -14.788 6.122 0.011 1.00 4.54 H new ATOM 0 HE1 TYR A 96 -10.771 7.435 2.538 1.00 41.11 H new ATOM 0 HE2 TYR A 96 -14.959 7.775 1.814 1.00 60.44 H new ATOM 0 HH TYR A 96 -13.911 8.947 3.357 1.00 11.43 H new ATOM 1575 N GLU A 97 -14.338 2.592 0.170 1.00 40.24 N ATOM 1576 CA GLU A 97 -15.431 2.250 1.091 1.00 32.14 C ATOM 1577 C GLU A 97 -15.336 0.794 1.579 1.00 63.05 C ATOM 1578 O GLU A 97 -15.671 0.507 2.728 1.00 43.12 O ATOM 1579 CB GLU A 97 -16.792 2.506 0.403 1.00 13.24 C ATOM 1580 CG GLU A 97 -16.952 3.935 -0.146 1.00 1.02 C ATOM 1581 CD GLU A 97 -18.323 4.175 -0.790 1.00 0.22 C ATOM 1582 OE1 GLU A 97 -18.546 3.707 -1.924 1.00 43.14 O ATOM 1583 OE2 GLU A 97 -19.194 4.813 -0.157 1.00 3.23 O ATOM 0 H GLU A 97 -14.628 2.663 -0.805 1.00 40.24 H new ATOM 0 HA GLU A 97 -15.344 2.889 1.970 1.00 32.14 H new ATOM 0 HB2 GLU A 97 -16.914 1.797 -0.416 1.00 13.24 H new ATOM 0 HB3 GLU A 97 -17.592 2.309 1.117 1.00 13.24 H new ATOM 0 HG2 GLU A 97 -16.807 4.649 0.665 1.00 1.02 H new ATOM 0 HG3 GLU A 97 -16.171 4.126 -0.883 1.00 1.02 H new ATOM 1590 N ASP A 98 -14.863 -0.098 0.692 1.00 55.10 N ATOM 1591 CA ASP A 98 -14.796 -1.553 0.956 1.00 72.45 C ATOM 1592 C ASP A 98 -13.823 -1.864 2.107 1.00 15.31 C ATOM 1593 O ASP A 98 -14.194 -2.529 3.074 1.00 71.24 O ATOM 1594 CB ASP A 98 -14.374 -2.307 -0.336 1.00 11.44 C ATOM 1595 CG ASP A 98 -14.314 -3.837 -0.180 1.00 1.14 C ATOM 1596 OD1 ASP A 98 -15.318 -4.443 0.247 1.00 45.30 O ATOM 1597 OD2 ASP A 98 -13.276 -4.451 -0.511 1.00 4.33 O ATOM 0 H ASP A 98 -14.515 0.166 -0.230 1.00 55.10 H new ATOM 0 HA ASP A 98 -15.786 -1.894 1.258 1.00 72.45 H new ATOM 0 HB2 ASP A 98 -15.076 -2.061 -1.133 1.00 11.44 H new ATOM 0 HB3 ASP A 98 -13.395 -1.946 -0.651 1.00 11.44 H new ATOM 1602 N LYS A 99 -12.590 -1.340 1.996 1.00 61.45 N ATOM 1603 CA LYS A 99 -11.503 -1.597 2.969 1.00 74.12 C ATOM 1604 C LYS A 99 -11.694 -0.770 4.257 1.00 32.02 C ATOM 1605 O LYS A 99 -11.288 -1.197 5.343 1.00 2.45 O ATOM 1606 CB LYS A 99 -10.104 -1.296 2.341 1.00 24.42 C ATOM 1607 CG LYS A 99 -9.590 -2.340 1.314 1.00 21.34 C ATOM 1608 CD LYS A 99 -10.445 -2.382 0.037 1.00 71.23 C ATOM 1609 CE LYS A 99 -10.005 -3.444 -0.961 1.00 40.24 C ATOM 1610 NZ LYS A 99 -10.963 -3.521 -2.089 1.00 43.33 N ATOM 0 H LYS A 99 -12.314 -0.725 1.230 1.00 61.45 H new ATOM 0 HA LYS A 99 -11.547 -2.654 3.231 1.00 74.12 H new ATOM 0 HB2 LYS A 99 -10.147 -0.323 1.852 1.00 24.42 H new ATOM 0 HB3 LYS A 99 -9.374 -1.216 3.146 1.00 24.42 H new ATOM 0 HG2 LYS A 99 -8.559 -2.107 1.049 1.00 21.34 H new ATOM 0 HG3 LYS A 99 -9.585 -3.327 1.776 1.00 21.34 H new ATOM 0 HD2 LYS A 99 -11.484 -2.563 0.312 1.00 71.23 H new ATOM 0 HD3 LYS A 99 -10.409 -1.405 -0.446 1.00 71.23 H new ATOM 0 HE2 LYS A 99 -9.009 -3.209 -1.337 1.00 40.24 H new ATOM 0 HE3 LYS A 99 -9.938 -4.413 -0.465 1.00 40.24 H new ATOM 0 HZ1 LYS A 99 -11.456 -4.437 -2.064 1.00 43.33 H new ATOM 0 HZ2 LYS A 99 -11.658 -2.751 -2.007 1.00 43.33 H new ATOM 0 HZ3 LYS A 99 -10.449 -3.429 -2.988 1.00 43.33 H new ATOM 1624 N LYS A 100 -12.319 0.412 4.114 1.00 74.34 N ATOM 1625 CA LYS A 100 -12.561 1.357 5.232 1.00 51.13 C ATOM 1626 C LYS A 100 -13.536 0.763 6.277 1.00 11.33 C ATOM 1627 O LYS A 100 -13.453 1.079 7.472 1.00 40.15 O ATOM 1628 CB LYS A 100 -13.093 2.683 4.643 1.00 42.21 C ATOM 1629 CG LYS A 100 -13.141 3.883 5.601 1.00 61.15 C ATOM 1630 CD LYS A 100 -13.596 5.176 4.883 1.00 53.53 C ATOM 1631 CE LYS A 100 -13.678 6.388 5.823 1.00 41.51 C ATOM 1632 NZ LYS A 100 -14.690 6.211 6.899 1.00 30.44 N ATOM 0 H LYS A 100 -12.674 0.745 3.218 1.00 74.34 H new ATOM 0 HA LYS A 100 -11.627 1.544 5.761 1.00 51.13 H new ATOM 0 HB2 LYS A 100 -12.471 2.952 3.789 1.00 42.21 H new ATOM 0 HB3 LYS A 100 -14.099 2.509 4.262 1.00 42.21 H new ATOM 0 HG2 LYS A 100 -13.823 3.665 6.423 1.00 61.15 H new ATOM 0 HG3 LYS A 100 -12.155 4.038 6.038 1.00 61.15 H new ATOM 0 HD2 LYS A 100 -12.902 5.398 4.072 1.00 53.53 H new ATOM 0 HD3 LYS A 100 -14.573 5.008 4.429 1.00 53.53 H new ATOM 0 HE2 LYS A 100 -12.701 6.560 6.274 1.00 41.51 H new ATOM 0 HE3 LYS A 100 -13.922 7.277 5.242 1.00 41.51 H new ATOM 0 HZ1 LYS A 100 -14.777 7.094 7.442 1.00 30.44 H new ATOM 0 HZ2 LYS A 100 -15.609 5.973 6.475 1.00 30.44 H new ATOM 0 HZ3 LYS A 100 -14.392 5.443 7.533 1.00 30.44 H new ATOM 1646 N LYS A 101 -14.442 -0.110 5.802 1.00 23.55 N ATOM 1647 CA LYS A 101 -15.386 -0.858 6.662 1.00 65.41 C ATOM 1648 C LYS A 101 -14.680 -2.018 7.395 1.00 23.30 C ATOM 1649 O LYS A 101 -15.118 -2.439 8.470 1.00 42.25 O ATOM 1650 CB LYS A 101 -16.561 -1.406 5.809 1.00 43.22 C ATOM 1651 CG LYS A 101 -17.464 -0.316 5.201 1.00 4.40 C ATOM 1652 CD LYS A 101 -18.599 -0.902 4.338 1.00 50.15 C ATOM 1653 CE LYS A 101 -19.489 0.190 3.730 1.00 25.31 C ATOM 1654 NZ LYS A 101 -18.725 1.104 2.841 1.00 60.33 N ATOM 0 H LYS A 101 -14.543 -0.320 4.809 1.00 23.55 H new ATOM 0 HA LYS A 101 -15.774 -0.171 7.414 1.00 65.41 H new ATOM 0 HB2 LYS A 101 -16.155 -2.017 5.003 1.00 43.22 H new ATOM 0 HB3 LYS A 101 -17.171 -2.062 6.430 1.00 43.22 H new ATOM 0 HG2 LYS A 101 -17.895 0.283 6.003 1.00 4.40 H new ATOM 0 HG3 LYS A 101 -16.858 0.355 4.592 1.00 4.40 H new ATOM 0 HD2 LYS A 101 -18.170 -1.506 3.538 1.00 50.15 H new ATOM 0 HD3 LYS A 101 -19.210 -1.568 4.948 1.00 50.15 H new ATOM 0 HE2 LYS A 101 -20.296 -0.275 3.164 1.00 25.31 H new ATOM 0 HE3 LYS A 101 -19.952 0.767 4.531 1.00 25.31 H new ATOM 0 HZ1 LYS A 101 -18.689 2.052 3.266 1.00 60.33 H new ATOM 0 HZ2 LYS A 101 -17.758 0.742 2.720 1.00 60.33 H new ATOM 0 HZ3 LYS A 101 -19.193 1.158 1.914 1.00 60.33 H new ATOM 1668 N LYS A 102 -13.584 -2.526 6.794 1.00 33.11 N ATOM 1669 CA LYS A 102 -12.805 -3.656 7.352 1.00 61.10 C ATOM 1670 C LYS A 102 -11.765 -3.168 8.396 1.00 43.31 C ATOM 1671 O LYS A 102 -10.987 -3.968 8.933 1.00 32.12 O ATOM 1672 CB LYS A 102 -12.083 -4.424 6.210 1.00 42.30 C ATOM 1673 CG LYS A 102 -12.945 -4.757 4.973 1.00 62.43 C ATOM 1674 CD LYS A 102 -12.204 -5.659 3.950 1.00 44.34 C ATOM 1675 CE LYS A 102 -12.857 -5.671 2.556 1.00 23.40 C ATOM 1676 NZ LYS A 102 -14.328 -5.876 2.600 1.00 32.33 N ATOM 0 H LYS A 102 -13.214 -2.168 5.913 1.00 33.11 H new ATOM 0 HA LYS A 102 -13.503 -4.325 7.855 1.00 61.10 H new ATOM 0 HB2 LYS A 102 -11.228 -3.832 5.884 1.00 42.30 H new ATOM 0 HB3 LYS A 102 -11.690 -5.356 6.617 1.00 42.30 H new ATOM 0 HG2 LYS A 102 -13.859 -5.256 5.296 1.00 62.43 H new ATOM 0 HG3 LYS A 102 -13.244 -3.830 4.484 1.00 62.43 H new ATOM 0 HD2 LYS A 102 -11.173 -5.318 3.857 1.00 44.34 H new ATOM 0 HD3 LYS A 102 -12.169 -6.678 4.335 1.00 44.34 H new ATOM 0 HE2 LYS A 102 -12.643 -4.728 2.054 1.00 23.40 H new ATOM 0 HE3 LYS A 102 -12.404 -6.461 1.957 1.00 23.40 H new ATOM 0 HZ1 LYS A 102 -14.728 -5.723 1.652 1.00 32.33 H new ATOM 0 HZ2 LYS A 102 -14.534 -6.847 2.910 1.00 32.33 H new ATOM 0 HZ3 LYS A 102 -14.753 -5.202 3.268 1.00 32.33 H new ATOM 1690 N GLY A 103 -11.747 -1.846 8.655 1.00 41.31 N ATOM 1691 CA GLY A 103 -10.855 -1.245 9.646 1.00 40.54 C ATOM 1692 C GLY A 103 -9.501 -0.860 9.074 1.00 31.51 C ATOM 1693 O GLY A 103 -8.506 -0.817 9.812 1.00 70.42 O ATOM 0 H GLY A 103 -12.350 -1.174 8.182 1.00 41.31 H new ATOM 0 HA2 GLY A 103 -11.331 -0.358 10.064 1.00 40.54 H new ATOM 0 HA3 GLY A 103 -10.709 -1.946 10.468 1.00 40.54 H new ATOM 1697 N TYR A 104 -9.448 -0.594 7.759 1.00 55.33 N ATOM 1698 CA TYR A 104 -8.220 -0.134 7.080 1.00 61.31 C ATOM 1699 C TYR A 104 -8.367 1.357 6.746 1.00 42.31 C ATOM 1700 O TYR A 104 -9.438 1.786 6.304 1.00 23.23 O ATOM 1701 CB TYR A 104 -7.958 -0.946 5.776 1.00 20.23 C ATOM 1702 CG TYR A 104 -8.024 -2.474 5.943 1.00 44.50 C ATOM 1703 CD1 TYR A 104 -7.408 -3.116 7.014 1.00 21.35 C ATOM 1704 CD2 TYR A 104 -8.724 -3.268 5.040 1.00 2.01 C ATOM 1705 CE1 TYR A 104 -7.493 -4.482 7.167 1.00 75.24 C ATOM 1706 CE2 TYR A 104 -8.815 -4.629 5.195 1.00 53.23 C ATOM 1707 CZ TYR A 104 -8.201 -5.232 6.260 1.00 32.23 C ATOM 1708 OH TYR A 104 -8.300 -6.594 6.420 1.00 14.13 O ATOM 0 H TYR A 104 -10.250 -0.690 7.136 1.00 55.33 H new ATOM 0 HA TYR A 104 -7.371 -0.289 7.745 1.00 61.31 H new ATOM 0 HB2 TYR A 104 -8.688 -0.645 5.024 1.00 20.23 H new ATOM 0 HB3 TYR A 104 -6.974 -0.679 5.390 1.00 20.23 H new ATOM 0 HD1 TYR A 104 -6.855 -2.534 7.736 1.00 21.35 H new ATOM 0 HD2 TYR A 104 -9.208 -2.801 4.195 1.00 2.01 H new ATOM 0 HE1 TYR A 104 -7.003 -4.964 8.000 1.00 75.24 H new ATOM 0 HE2 TYR A 104 -9.368 -5.221 4.481 1.00 53.23 H new ATOM 0 HH TYR A 104 -8.836 -6.971 5.691 1.00 14.13 H new ATOM 1718 N ASP A 105 -7.303 2.139 6.966 1.00 1.43 N ATOM 1719 CA ASP A 105 -7.300 3.580 6.656 1.00 74.23 C ATOM 1720 C ASP A 105 -6.957 3.773 5.179 1.00 12.24 C ATOM 1721 O ASP A 105 -5.814 3.540 4.761 1.00 24.10 O ATOM 1722 CB ASP A 105 -6.291 4.318 7.559 1.00 1.34 C ATOM 1723 CG ASP A 105 -6.253 5.842 7.348 1.00 42.40 C ATOM 1724 OD1 ASP A 105 -7.325 6.483 7.239 1.00 43.22 O ATOM 1725 OD2 ASP A 105 -5.154 6.410 7.325 1.00 72.23 O ATOM 0 H ASP A 105 -6.426 1.798 7.360 1.00 1.43 H new ATOM 0 HA ASP A 105 -8.287 4.000 6.848 1.00 74.23 H new ATOM 0 HB2 ASP A 105 -6.535 4.113 8.601 1.00 1.34 H new ATOM 0 HB3 ASP A 105 -5.295 3.913 7.379 1.00 1.34 H new ATOM 1730 N VAL A 106 -7.959 4.176 4.380 1.00 55.11 N ATOM 1731 CA VAL A 106 -7.852 4.184 2.920 1.00 41.13 C ATOM 1732 C VAL A 106 -7.732 5.609 2.367 1.00 11.31 C ATOM 1733 O VAL A 106 -8.457 6.519 2.786 1.00 42.22 O ATOM 1734 CB VAL A 106 -9.073 3.459 2.255 1.00 45.13 C ATOM 1735 CG1 VAL A 106 -8.827 3.264 0.746 1.00 0.43 C ATOM 1736 CG2 VAL A 106 -9.364 2.113 2.939 1.00 62.52 C ATOM 0 H VAL A 106 -8.860 4.503 4.730 1.00 55.11 H new ATOM 0 HA VAL A 106 -6.941 3.640 2.670 1.00 41.13 H new ATOM 0 HB VAL A 106 -9.951 4.092 2.384 1.00 45.13 H new ATOM 0 HG11 VAL A 106 -9.684 2.759 0.300 1.00 0.43 H new ATOM 0 HG12 VAL A 106 -8.690 4.236 0.271 1.00 0.43 H new ATOM 0 HG13 VAL A 106 -7.932 2.659 0.598 1.00 0.43 H new ATOM 0 HG21 VAL A 106 -10.216 1.635 2.455 1.00 62.52 H new ATOM 0 HG22 VAL A 106 -8.490 1.467 2.856 1.00 62.52 H new ATOM 0 HG23 VAL A 106 -9.592 2.282 3.991 1.00 62.52 H new ATOM 1746 N TYR A 107 -6.800 5.787 1.426 1.00 54.14 N ATOM 1747 CA TYR A 107 -6.639 7.015 0.647 1.00 11.24 C ATOM 1748 C TYR A 107 -6.937 6.721 -0.825 1.00 43.43 C ATOM 1749 O TYR A 107 -6.680 5.619 -1.320 1.00 15.14 O ATOM 1750 CB TYR A 107 -5.205 7.564 0.809 1.00 42.12 C ATOM 1751 CG TYR A 107 -4.860 7.877 2.264 1.00 45.32 C ATOM 1752 CD1 TYR A 107 -5.410 8.989 2.900 1.00 64.24 C ATOM 1753 CD2 TYR A 107 -4.029 7.047 3.012 1.00 73.45 C ATOM 1754 CE1 TYR A 107 -5.136 9.258 4.224 1.00 34.31 C ATOM 1755 CE2 TYR A 107 -3.748 7.318 4.335 1.00 51.52 C ATOM 1756 CZ TYR A 107 -4.307 8.423 4.932 1.00 32.11 C ATOM 1757 OH TYR A 107 -4.037 8.697 6.245 1.00 61.12 O ATOM 0 H TYR A 107 -6.123 5.065 1.181 1.00 54.14 H new ATOM 0 HA TYR A 107 -7.336 7.770 1.010 1.00 11.24 H new ATOM 0 HB2 TYR A 107 -4.494 6.836 0.419 1.00 42.12 H new ATOM 0 HB3 TYR A 107 -5.096 8.468 0.210 1.00 42.12 H new ATOM 0 HD1 TYR A 107 -6.061 9.650 2.347 1.00 64.24 H new ATOM 0 HD2 TYR A 107 -3.596 6.174 2.547 1.00 73.45 H new ATOM 0 HE1 TYR A 107 -5.572 10.122 4.703 1.00 34.31 H new ATOM 0 HE2 TYR A 107 -3.094 6.668 4.897 1.00 51.52 H new ATOM 0 HH TYR A 107 -4.374 7.968 6.807 1.00 61.12 H new ATOM 1767 N THR A 108 -7.513 7.707 -1.495 1.00 64.14 N ATOM 1768 CA THR A 108 -7.795 7.666 -2.928 1.00 13.14 C ATOM 1769 C THR A 108 -6.856 8.640 -3.653 1.00 21.44 C ATOM 1770 O THR A 108 -6.413 9.638 -3.067 1.00 61.14 O ATOM 1771 CB THR A 108 -9.286 8.047 -3.184 1.00 42.21 C ATOM 1772 OG1 THR A 108 -9.594 9.289 -2.520 1.00 63.13 O ATOM 1773 CG2 THR A 108 -10.246 6.953 -2.687 1.00 32.15 C ATOM 0 H THR A 108 -7.805 8.578 -1.052 1.00 64.14 H new ATOM 0 HA THR A 108 -7.627 6.659 -3.310 1.00 13.14 H new ATOM 0 HB THR A 108 -9.420 8.154 -4.260 1.00 42.21 H new ATOM 0 HG1 THR A 108 -10.531 9.525 -2.685 1.00 63.13 H new ATOM 0 HG21 THR A 108 -11.275 7.255 -2.883 1.00 32.15 H new ATOM 0 HG22 THR A 108 -10.036 6.020 -3.210 1.00 32.15 H new ATOM 0 HG23 THR A 108 -10.108 6.808 -1.616 1.00 32.15 H new ATOM 1781 N SER A 109 -6.543 8.345 -4.922 1.00 22.30 N ATOM 1782 CA SER A 109 -5.679 9.199 -5.742 1.00 20.33 C ATOM 1783 C SER A 109 -6.016 9.023 -7.225 1.00 70.25 C ATOM 1784 O SER A 109 -6.113 7.905 -7.716 1.00 23.11 O ATOM 1785 CB SER A 109 -4.197 8.868 -5.459 1.00 53.33 C ATOM 1786 OG SER A 109 -3.929 7.483 -5.564 1.00 22.13 O ATOM 0 H SER A 109 -6.880 7.512 -5.405 1.00 22.30 H new ATOM 0 HA SER A 109 -5.851 10.244 -5.483 1.00 20.33 H new ATOM 0 HB2 SER A 109 -3.565 9.413 -6.160 1.00 53.33 H new ATOM 0 HB3 SER A 109 -3.934 9.212 -4.459 1.00 53.33 H new ATOM 0 HG SER A 109 -4.755 6.978 -5.415 1.00 22.13 H new ATOM 1792 N ARG A 110 -6.182 10.152 -7.922 1.00 35.04 N ATOM 1793 CA ARG A 110 -6.529 10.184 -9.353 1.00 21.22 C ATOM 1794 C ARG A 110 -5.379 9.675 -10.237 1.00 1.23 C ATOM 1795 O ARG A 110 -5.611 9.121 -11.321 1.00 14.11 O ATOM 1796 CB ARG A 110 -6.910 11.634 -9.744 1.00 5.11 C ATOM 1797 CG ARG A 110 -8.260 12.125 -9.181 1.00 2.33 C ATOM 1798 CD ARG A 110 -9.468 11.328 -9.710 1.00 4.01 C ATOM 1799 NE ARG A 110 -9.560 11.380 -11.177 1.00 34.32 N ATOM 1800 CZ ARG A 110 -10.443 12.107 -11.882 1.00 35.15 C ATOM 1801 NH1 ARG A 110 -11.359 12.867 -11.283 1.00 11.11 N ATOM 1802 NH2 ARG A 110 -10.379 12.090 -13.200 1.00 1.31 N ATOM 0 H ARG A 110 -6.079 11.079 -7.508 1.00 35.04 H new ATOM 0 HA ARG A 110 -7.374 9.516 -9.518 1.00 21.22 H new ATOM 0 HB2 ARG A 110 -6.124 12.306 -9.400 1.00 5.11 H new ATOM 0 HB3 ARG A 110 -6.938 11.706 -10.831 1.00 5.11 H new ATOM 0 HG2 ARG A 110 -8.238 12.058 -8.093 1.00 2.33 H new ATOM 0 HG3 ARG A 110 -8.390 13.177 -9.433 1.00 2.33 H new ATOM 0 HD2 ARG A 110 -9.387 10.290 -9.388 1.00 4.01 H new ATOM 0 HD3 ARG A 110 -10.384 11.726 -9.275 1.00 4.01 H new ATOM 0 HE ARG A 110 -8.895 10.815 -11.705 1.00 34.32 H new ATOM 0 HH11 ARG A 110 -11.402 12.907 -10.265 1.00 11.11 H new ATOM 0 HH12 ARG A 110 -12.017 13.409 -11.843 1.00 11.11 H new ATOM 0 HH21 ARG A 110 -9.667 11.530 -13.669 1.00 1.31 H new ATOM 0 HH22 ARG A 110 -11.042 12.636 -13.750 1.00 1.31 H new ATOM 1816 N ASN A 111 -4.141 9.876 -9.757 1.00 40.52 N ATOM 1817 CA ASN A 111 -2.924 9.637 -10.551 1.00 4.34 C ATOM 1818 C ASN A 111 -1.673 9.608 -9.658 1.00 3.35 C ATOM 1819 O ASN A 111 -1.790 9.726 -8.437 1.00 32.21 O ATOM 1820 CB ASN A 111 -2.801 10.721 -11.662 1.00 2.14 C ATOM 1821 CG ASN A 111 -2.944 12.144 -11.122 1.00 50.02 C ATOM 1822 OD1 ASN A 111 -1.855 12.743 -10.708 1.00 63.13 O flip ATOM 1823 ND2 ASN A 111 -4.040 12.695 -11.072 1.00 22.14 N flip ATOM 0 H ASN A 111 -3.955 10.208 -8.810 1.00 40.52 H new ATOM 0 HA ASN A 111 -3.001 8.658 -11.025 1.00 4.34 H new ATOM 0 HB2 ASN A 111 -1.834 10.620 -12.156 1.00 2.14 H new ATOM 0 HB3 ASN A 111 -3.565 10.546 -12.419 1.00 2.14 H new ATOM 0 HD21 ASN A 111 -4.872 12.206 -11.401 1.00 22.14 H new ATOM 0 HD22 ASN A 111 -4.118 13.642 -10.701 1.00 22.14 H new ATOM 1830 N GLU A 112 -0.491 9.458 -10.304 1.00 11.30 N ATOM 1831 CA GLU A 112 0.835 9.329 -9.653 1.00 1.30 C ATOM 1832 C GLU A 112 1.120 10.462 -8.657 1.00 2.41 C ATOM 1833 O GLU A 112 1.616 10.205 -7.566 1.00 65.32 O ATOM 1834 CB GLU A 112 1.947 9.248 -10.760 1.00 25.45 C ATOM 1835 CG GLU A 112 3.434 9.313 -10.275 1.00 40.34 C ATOM 1836 CD GLU A 112 4.073 10.726 -10.378 1.00 33.03 C ATOM 1837 OE1 GLU A 112 4.589 11.075 -11.458 1.00 13.54 O ATOM 1838 OE2 GLU A 112 4.053 11.493 -9.395 1.00 43.32 O ATOM 0 H GLU A 112 -0.433 9.422 -11.322 1.00 11.30 H new ATOM 0 HA GLU A 112 0.836 8.411 -9.066 1.00 1.30 H new ATOM 0 HB2 GLU A 112 1.810 8.318 -11.311 1.00 25.45 H new ATOM 0 HB3 GLU A 112 1.784 10.063 -11.465 1.00 25.45 H new ATOM 0 HG2 GLU A 112 3.482 8.979 -9.239 1.00 40.34 H new ATOM 0 HG3 GLU A 112 4.028 8.613 -10.863 1.00 40.34 H new ATOM 1845 N ASP A 113 0.795 11.699 -9.056 1.00 25.35 N ATOM 1846 CA ASP A 113 1.048 12.922 -8.255 1.00 60.34 C ATOM 1847 C ASP A 113 0.336 12.852 -6.889 1.00 51.31 C ATOM 1848 O ASP A 113 0.938 13.089 -5.835 1.00 52.24 O ATOM 1849 CB ASP A 113 0.576 14.177 -9.048 1.00 21.25 C ATOM 1850 CG ASP A 113 1.225 14.306 -10.443 1.00 33.22 C ATOM 1851 OD1 ASP A 113 0.983 13.431 -11.304 1.00 55.01 O ATOM 1852 OD2 ASP A 113 1.953 15.289 -10.700 1.00 2.40 O ATOM 0 H ASP A 113 0.344 11.889 -9.951 1.00 25.35 H new ATOM 0 HA ASP A 113 2.119 12.995 -8.068 1.00 60.34 H new ATOM 0 HB2 ASP A 113 -0.507 14.138 -9.163 1.00 21.25 H new ATOM 0 HB3 ASP A 113 0.803 15.071 -8.467 1.00 21.25 H new ATOM 1857 N GLU A 114 -0.959 12.505 -6.932 1.00 43.33 N ATOM 1858 CA GLU A 114 -1.800 12.366 -5.730 1.00 41.20 C ATOM 1859 C GLU A 114 -1.402 11.115 -4.930 1.00 1.02 C ATOM 1860 O GLU A 114 -1.362 11.148 -3.702 1.00 74.04 O ATOM 1861 CB GLU A 114 -3.305 12.343 -6.122 1.00 23.30 C ATOM 1862 CG GLU A 114 -3.917 13.735 -6.393 1.00 4.21 C ATOM 1863 CD GLU A 114 -3.149 14.577 -7.426 1.00 72.02 C ATOM 1864 OE1 GLU A 114 -3.257 14.299 -8.629 1.00 32.22 O ATOM 1865 OE2 GLU A 114 -2.423 15.512 -7.033 1.00 3.42 O ATOM 0 H GLU A 114 -1.455 12.312 -7.802 1.00 43.33 H new ATOM 0 HA GLU A 114 -1.638 13.230 -5.086 1.00 41.20 H new ATOM 0 HB2 GLU A 114 -3.426 11.727 -7.013 1.00 23.30 H new ATOM 0 HB3 GLU A 114 -3.868 11.862 -5.323 1.00 23.30 H new ATOM 0 HG2 GLU A 114 -4.943 13.606 -6.738 1.00 4.21 H new ATOM 0 HG3 GLU A 114 -3.963 14.287 -5.454 1.00 4.21 H new ATOM 1872 N ALA A 115 -1.062 10.041 -5.657 1.00 41.54 N ATOM 1873 CA ALA A 115 -0.642 8.750 -5.076 1.00 40.14 C ATOM 1874 C ALA A 115 0.632 8.916 -4.252 1.00 25.00 C ATOM 1875 O ALA A 115 0.798 8.287 -3.204 1.00 63.40 O ATOM 1876 CB ALA A 115 -0.414 7.743 -6.199 1.00 21.55 C ATOM 0 H ALA A 115 -1.070 10.041 -6.677 1.00 41.54 H new ATOM 0 HA ALA A 115 -1.428 8.387 -4.414 1.00 40.14 H new ATOM 0 HB1 ALA A 115 -0.104 6.788 -5.774 1.00 21.55 H new ATOM 0 HB2 ALA A 115 -1.339 7.607 -6.759 1.00 21.55 H new ATOM 0 HB3 ALA A 115 0.364 8.113 -6.867 1.00 21.55 H new ATOM 1882 N LYS A 116 1.497 9.801 -4.761 1.00 53.23 N ATOM 1883 CA LYS A 116 2.778 10.137 -4.162 1.00 2.11 C ATOM 1884 C LYS A 116 2.564 10.837 -2.820 1.00 50.41 C ATOM 1885 O LYS A 116 3.050 10.353 -1.809 1.00 40.12 O ATOM 1886 CB LYS A 116 3.571 11.031 -5.144 1.00 62.32 C ATOM 1887 CG LYS A 116 4.925 11.559 -4.623 1.00 1.33 C ATOM 1888 CD LYS A 116 5.709 12.310 -5.719 1.00 51.24 C ATOM 1889 CE LYS A 116 6.111 11.390 -6.887 1.00 53.54 C ATOM 1890 NZ LYS A 116 6.682 12.149 -8.027 1.00 70.15 N ATOM 0 H LYS A 116 1.313 10.313 -5.624 1.00 53.23 H new ATOM 0 HA LYS A 116 3.351 9.230 -3.971 1.00 2.11 H new ATOM 0 HB2 LYS A 116 3.750 10.465 -6.058 1.00 62.32 H new ATOM 0 HB3 LYS A 116 2.948 11.884 -5.414 1.00 62.32 H new ATOM 0 HG2 LYS A 116 4.754 12.225 -3.778 1.00 1.33 H new ATOM 0 HG3 LYS A 116 5.523 10.725 -4.256 1.00 1.33 H new ATOM 0 HD2 LYS A 116 5.101 13.131 -6.099 1.00 51.24 H new ATOM 0 HD3 LYS A 116 6.605 12.752 -5.283 1.00 51.24 H new ATOM 0 HE2 LYS A 116 6.840 10.659 -6.537 1.00 53.54 H new ATOM 0 HE3 LYS A 116 5.238 10.832 -7.225 1.00 53.54 H new ATOM 0 HZ1 LYS A 116 6.001 12.160 -8.813 1.00 70.15 H new ATOM 0 HZ2 LYS A 116 6.882 13.125 -7.729 1.00 70.15 H new ATOM 0 HZ3 LYS A 116 7.564 11.695 -8.340 1.00 70.15 H new ATOM 1904 N LYS A 117 1.769 11.933 -2.818 1.00 3.22 N ATOM 1905 CA LYS A 117 1.572 12.748 -1.599 1.00 34.32 C ATOM 1906 C LYS A 117 0.834 11.955 -0.505 1.00 4.20 C ATOM 1907 O LYS A 117 1.138 12.114 0.672 1.00 33.01 O ATOM 1908 CB LYS A 117 0.859 14.094 -1.908 1.00 10.05 C ATOM 1909 CG LYS A 117 -0.558 13.988 -2.520 1.00 74.10 C ATOM 1910 CD LYS A 117 -1.224 15.362 -2.791 1.00 40.00 C ATOM 1911 CE LYS A 117 -0.412 16.260 -3.742 1.00 3.44 C ATOM 1912 NZ LYS A 117 -0.222 15.641 -5.083 1.00 23.03 N ATOM 0 H LYS A 117 1.260 12.269 -3.636 1.00 3.22 H new ATOM 0 HA LYS A 117 2.562 12.994 -1.215 1.00 34.32 H new ATOM 0 HB2 LYS A 117 0.791 14.667 -0.983 1.00 10.05 H new ATOM 0 HB3 LYS A 117 1.486 14.666 -2.592 1.00 10.05 H new ATOM 0 HG2 LYS A 117 -0.499 13.432 -3.456 1.00 74.10 H new ATOM 0 HG3 LYS A 117 -1.193 13.413 -1.846 1.00 74.10 H new ATOM 0 HD2 LYS A 117 -2.215 15.199 -3.215 1.00 40.00 H new ATOM 0 HD3 LYS A 117 -1.364 15.882 -1.844 1.00 40.00 H new ATOM 0 HE2 LYS A 117 -0.920 17.218 -3.856 1.00 3.44 H new ATOM 0 HE3 LYS A 117 0.562 16.467 -3.299 1.00 3.44 H new ATOM 0 HZ1 LYS A 117 0.373 16.260 -5.670 1.00 23.03 H new ATOM 0 HZ2 LYS A 117 0.241 14.716 -4.976 1.00 23.03 H new ATOM 0 HZ3 LYS A 117 -1.147 15.514 -5.541 1.00 23.03 H new ATOM 1926 N LYS A 118 -0.098 11.067 -0.917 1.00 71.11 N ATOM 1927 CA LYS A 118 -0.824 10.177 0.015 1.00 0.00 C ATOM 1928 C LYS A 118 0.139 9.178 0.674 1.00 44.31 C ATOM 1929 O LYS A 118 0.047 8.904 1.876 1.00 24.11 O ATOM 1930 CB LYS A 118 -1.954 9.396 -0.720 1.00 34.34 C ATOM 1931 CG LYS A 118 -3.136 10.228 -1.285 1.00 14.02 C ATOM 1932 CD LYS A 118 -3.931 11.023 -0.207 1.00 2.10 C ATOM 1933 CE LYS A 118 -3.370 12.427 0.063 1.00 22.31 C ATOM 1934 NZ LYS A 118 -3.937 13.027 1.294 1.00 52.23 N ATOM 0 H LYS A 118 -0.366 10.948 -1.894 1.00 71.11 H new ATOM 0 HA LYS A 118 -1.273 10.806 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.503 8.845 -1.545 1.00 34.34 H new ATOM 0 HB3 LYS A 118 -2.360 8.658 -0.028 1.00 34.34 H new ATOM 0 HG2 LYS A 118 -2.751 10.928 -2.026 1.00 14.02 H new ATOM 0 HG3 LYS A 118 -3.821 9.558 -1.805 1.00 14.02 H new ATOM 0 HD2 LYS A 118 -4.970 11.111 -0.526 1.00 2.10 H new ATOM 0 HD3 LYS A 118 -3.931 10.456 0.724 1.00 2.10 H new ATOM 0 HE2 LYS A 118 -2.285 12.372 0.154 1.00 22.31 H new ATOM 0 HE3 LYS A 118 -3.587 13.073 -0.788 1.00 22.31 H new ATOM 0 HZ1 LYS A 118 -3.274 13.732 1.674 1.00 52.23 H new ATOM 0 HZ2 LYS A 118 -4.842 13.488 1.070 1.00 52.23 H new ATOM 0 HZ3 LYS A 118 -4.094 12.282 2.003 1.00 52.23 H new ATOM 1948 N LEU A 119 1.059 8.641 -0.150 1.00 41.33 N ATOM 1949 CA LEU A 119 2.066 7.660 0.279 1.00 43.13 C ATOM 1950 C LEU A 119 3.048 8.324 1.264 1.00 22.12 C ATOM 1951 O LEU A 119 3.387 7.736 2.285 1.00 44.33 O ATOM 1952 CB LEU A 119 2.794 7.070 -0.974 1.00 34.34 C ATOM 1953 CG LEU A 119 3.187 5.558 -0.912 1.00 72.35 C ATOM 1954 CD1 LEU A 119 3.727 5.070 -2.270 1.00 14.54 C ATOM 1955 CD2 LEU A 119 4.180 5.259 0.228 1.00 3.51 C ATOM 0 H LEU A 119 1.122 8.880 -1.140 1.00 41.33 H new ATOM 0 HA LEU A 119 1.587 6.831 0.800 1.00 43.13 H new ATOM 0 HB2 LEU A 119 2.152 7.219 -1.842 1.00 34.34 H new ATOM 0 HB3 LEU A 119 3.701 7.650 -1.145 1.00 34.34 H new ATOM 0 HG LEU A 119 2.277 5.000 -0.690 1.00 72.35 H new ATOM 0 HD11 LEU A 119 3.993 4.015 -2.198 1.00 14.54 H new ATOM 0 HD12 LEU A 119 2.961 5.200 -3.034 1.00 14.54 H new ATOM 0 HD13 LEU A 119 4.610 5.649 -2.540 1.00 14.54 H new ATOM 0 HD21 LEU A 119 4.422 4.196 0.230 1.00 3.51 H new ATOM 0 HD22 LEU A 119 5.091 5.839 0.078 1.00 3.51 H new ATOM 0 HD23 LEU A 119 3.730 5.530 1.183 1.00 3.51 H new ATOM 1967 N LYS A 120 3.444 9.570 0.950 1.00 55.33 N ATOM 1968 CA LYS A 120 4.411 10.349 1.753 1.00 61.13 C ATOM 1969 C LYS A 120 3.825 10.723 3.111 1.00 22.03 C ATOM 1970 O LYS A 120 4.530 10.682 4.111 1.00 74.45 O ATOM 1971 CB LYS A 120 4.835 11.629 1.007 1.00 61.05 C ATOM 1972 CG LYS A 120 5.546 11.358 -0.317 1.00 43.54 C ATOM 1973 CD LYS A 120 5.891 12.652 -1.092 1.00 23.24 C ATOM 1974 CE LYS A 120 6.998 13.454 -0.412 1.00 25.41 C ATOM 1975 NZ LYS A 120 8.224 12.634 -0.233 1.00 4.11 N ATOM 0 H LYS A 120 3.102 10.070 0.129 1.00 55.33 H new ATOM 0 HA LYS A 120 5.286 9.719 1.910 1.00 61.13 H new ATOM 0 HB2 LYS A 120 3.951 12.238 0.817 1.00 61.05 H new ATOM 0 HB3 LYS A 120 5.493 12.213 1.650 1.00 61.05 H new ATOM 0 HG2 LYS A 120 6.463 10.801 -0.124 1.00 43.54 H new ATOM 0 HG3 LYS A 120 4.914 10.725 -0.940 1.00 43.54 H new ATOM 0 HD2 LYS A 120 6.201 12.395 -2.105 1.00 23.24 H new ATOM 0 HD3 LYS A 120 4.998 13.270 -1.179 1.00 23.24 H new ATOM 0 HE2 LYS A 120 7.231 14.336 -1.009 1.00 25.41 H new ATOM 0 HE3 LYS A 120 6.650 13.809 0.558 1.00 25.41 H new ATOM 0 HZ1 LYS A 120 9.063 13.220 -0.415 1.00 4.11 H new ATOM 0 HZ2 LYS A 120 8.259 12.271 0.741 1.00 4.11 H new ATOM 0 HZ3 LYS A 120 8.208 11.836 -0.900 1.00 4.11 H new ATOM 1989 N GLU A 121 2.533 11.094 3.117 1.00 2.54 N ATOM 1990 CA GLU A 121 1.790 11.367 4.352 1.00 34.53 C ATOM 1991 C GLU A 121 1.716 10.098 5.216 1.00 23.33 C ATOM 1992 O GLU A 121 1.945 10.159 6.416 1.00 63.11 O ATOM 1993 CB GLU A 121 0.381 11.922 4.020 1.00 22.35 C ATOM 1994 CG GLU A 121 0.397 13.355 3.441 1.00 61.22 C ATOM 1995 CD GLU A 121 -0.977 13.846 2.967 1.00 64.52 C ATOM 1996 OE1 GLU A 121 -1.898 13.958 3.808 1.00 1.51 O ATOM 1997 OE2 GLU A 121 -1.157 14.104 1.759 1.00 72.53 O ATOM 0 H GLU A 121 1.980 11.212 2.268 1.00 2.54 H new ATOM 0 HA GLU A 121 2.315 12.129 4.928 1.00 34.53 H new ATOM 0 HB2 GLU A 121 -0.103 11.256 3.305 1.00 22.35 H new ATOM 0 HB3 GLU A 121 -0.226 11.912 4.925 1.00 22.35 H new ATOM 0 HG2 GLU A 121 0.775 14.040 4.200 1.00 61.22 H new ATOM 0 HG3 GLU A 121 1.094 13.391 2.604 1.00 61.22 H new ATOM 2004 N ALA A 122 1.466 8.947 4.564 1.00 74.31 N ATOM 2005 CA ALA A 122 1.428 7.627 5.225 1.00 3.14 C ATOM 2006 C ALA A 122 2.819 7.238 5.786 1.00 60.31 C ATOM 2007 O ALA A 122 2.914 6.552 6.816 1.00 44.02 O ATOM 2008 CB ALA A 122 0.919 6.575 4.238 1.00 73.23 C ATOM 0 H ALA A 122 1.284 8.905 3.561 1.00 74.31 H new ATOM 0 HA ALA A 122 0.744 7.679 6.072 1.00 3.14 H new ATOM 0 HB1 ALA A 122 0.891 5.601 4.727 1.00 73.23 H new ATOM 0 HB2 ALA A 122 -0.084 6.843 3.906 1.00 73.23 H new ATOM 0 HB3 ALA A 122 1.587 6.530 3.377 1.00 73.23 H new ATOM 2014 N LEU A 123 3.884 7.693 5.089 1.00 40.20 N ATOM 2015 CA LEU A 123 5.281 7.530 5.536 1.00 41.15 C ATOM 2016 C LEU A 123 5.535 8.396 6.792 1.00 11.35 C ATOM 2017 O LEU A 123 6.113 7.929 7.771 1.00 3.24 O ATOM 2018 CB LEU A 123 6.276 7.892 4.381 1.00 52.44 C ATOM 2019 CG LEU A 123 6.303 6.906 3.162 1.00 24.33 C ATOM 2020 CD1 LEU A 123 7.225 7.415 2.033 1.00 23.02 C ATOM 2021 CD2 LEU A 123 6.690 5.479 3.596 1.00 1.50 C ATOM 0 H LEU A 123 3.796 8.184 4.199 1.00 40.20 H new ATOM 0 HA LEU A 123 5.452 6.486 5.800 1.00 41.15 H new ATOM 0 HB2 LEU A 123 6.027 8.887 4.012 1.00 52.44 H new ATOM 0 HB3 LEU A 123 7.281 7.949 4.799 1.00 52.44 H new ATOM 0 HG LEU A 123 5.290 6.866 2.762 1.00 24.33 H new ATOM 0 HD11 LEU A 123 7.216 6.704 1.207 1.00 23.02 H new ATOM 0 HD12 LEU A 123 6.869 8.383 1.682 1.00 23.02 H new ATOM 0 HD13 LEU A 123 8.242 7.518 2.412 1.00 23.02 H new ATOM 0 HD21 LEU A 123 6.698 4.824 2.725 1.00 1.50 H new ATOM 0 HD22 LEU A 123 7.681 5.493 4.049 1.00 1.50 H new ATOM 0 HD23 LEU A 123 5.965 5.110 4.321 1.00 1.50 H new ATOM 2033 N GLU A 124 5.036 9.641 6.766 1.00 4.43 N ATOM 2034 CA GLU A 124 5.199 10.601 7.882 1.00 21.25 C ATOM 2035 C GLU A 124 4.403 10.158 9.129 1.00 22.31 C ATOM 2036 O GLU A 124 4.830 10.400 10.264 1.00 35.21 O ATOM 2037 CB GLU A 124 4.773 12.021 7.427 1.00 3.01 C ATOM 2038 CG GLU A 124 5.647 12.601 6.294 1.00 45.11 C ATOM 2039 CD GLU A 124 5.180 13.984 5.819 1.00 12.00 C ATOM 2040 OE1 GLU A 124 4.179 14.060 5.074 1.00 24.35 O ATOM 2041 OE2 GLU A 124 5.800 15.002 6.196 1.00 5.15 O ATOM 0 H GLU A 124 4.509 10.015 5.977 1.00 4.43 H new ATOM 0 HA GLU A 124 6.252 10.624 8.162 1.00 21.25 H new ATOM 0 HB2 GLU A 124 3.736 11.989 7.093 1.00 3.01 H new ATOM 0 HB3 GLU A 124 4.812 12.694 8.284 1.00 3.01 H new ATOM 0 HG2 GLU A 124 6.678 12.672 6.639 1.00 45.11 H new ATOM 0 HG3 GLU A 124 5.640 11.912 5.449 1.00 45.11 H new ATOM 2048 N LYS A 125 3.258 9.481 8.893 1.00 2.45 N ATOM 2049 CA LYS A 125 2.393 8.940 9.967 1.00 33.33 C ATOM 2050 C LYS A 125 3.067 7.745 10.659 1.00 45.43 C ATOM 2051 O LYS A 125 2.843 7.504 11.848 1.00 50.34 O ATOM 2052 CB LYS A 125 1.000 8.533 9.402 1.00 4.42 C ATOM 2053 CG LYS A 125 0.175 9.727 8.882 1.00 62.14 C ATOM 2054 CD LYS A 125 -1.132 9.309 8.171 1.00 13.41 C ATOM 2055 CE LYS A 125 -1.791 10.487 7.429 1.00 11.41 C ATOM 2056 NZ LYS A 125 -2.202 11.593 8.334 1.00 51.52 N ATOM 0 H LYS A 125 2.907 9.294 7.954 1.00 2.45 H new ATOM 0 HA LYS A 125 2.244 9.724 10.709 1.00 33.33 H new ATOM 0 HB2 LYS A 125 1.140 7.818 8.591 1.00 4.42 H new ATOM 0 HB3 LYS A 125 0.435 8.023 10.182 1.00 4.42 H new ATOM 0 HG2 LYS A 125 -0.069 10.382 9.719 1.00 62.14 H new ATOM 0 HG3 LYS A 125 0.786 10.307 8.191 1.00 62.14 H new ATOM 0 HD2 LYS A 125 -0.919 8.509 7.462 1.00 13.41 H new ATOM 0 HD3 LYS A 125 -1.831 8.907 8.905 1.00 13.41 H new ATOM 0 HE2 LYS A 125 -1.095 10.875 6.685 1.00 11.41 H new ATOM 0 HE3 LYS A 125 -2.665 10.124 6.889 1.00 11.41 H new ATOM 0 HZ1 LYS A 125 -2.638 12.354 7.776 1.00 51.52 H new ATOM 0 HZ2 LYS A 125 -2.889 11.236 9.029 1.00 51.52 H new ATOM 0 HZ3 LYS A 125 -1.367 11.963 8.831 1.00 51.52 H new ATOM 2070 N SER A 126 3.891 7.006 9.901 1.00 44.44 N ATOM 2071 CA SER A 126 4.688 5.887 10.427 1.00 30.53 C ATOM 2072 C SER A 126 6.051 6.366 10.973 1.00 10.43 C ATOM 2073 O SER A 126 6.867 5.554 11.421 1.00 11.35 O ATOM 2074 CB SER A 126 4.854 4.825 9.327 1.00 13.11 C ATOM 2075 OG SER A 126 5.388 5.361 8.133 1.00 24.33 O ATOM 0 H SER A 126 4.024 7.168 8.903 1.00 44.44 H new ATOM 0 HA SER A 126 4.162 5.441 11.271 1.00 30.53 H new ATOM 0 HB2 SER A 126 5.507 4.031 9.689 1.00 13.11 H new ATOM 0 HB3 SER A 126 3.886 4.370 9.116 1.00 13.11 H new ATOM 0 HG SER A 126 5.745 6.257 8.307 1.00 24.33 H new ATOM 2081 N GLY A 127 6.286 7.695 10.931 1.00 54.25 N ATOM 2082 CA GLY A 127 7.483 8.307 11.508 1.00 71.24 C ATOM 2083 C GLY A 127 8.569 8.582 10.483 1.00 40.50 C ATOM 2084 O GLY A 127 9.488 9.360 10.752 1.00 14.53 O ATOM 0 H GLY A 127 5.650 8.363 10.497 1.00 54.25 H new ATOM 0 HA2 GLY A 127 7.206 9.243 11.994 1.00 71.24 H new ATOM 0 HA3 GLY A 127 7.881 7.651 12.282 1.00 71.24 H new ATOM 2088 N SER A 128 8.474 7.935 9.313 1.00 12.43 N ATOM 2089 CA SER A 128 9.433 8.090 8.215 1.00 41.31 C ATOM 2090 C SER A 128 9.371 9.517 7.629 1.00 64.33 C ATOM 2091 O SER A 128 8.426 9.865 6.918 1.00 12.24 O ATOM 2092 CB SER A 128 9.132 7.030 7.137 1.00 13.43 C ATOM 2093 OG SER A 128 9.288 5.723 7.656 1.00 71.44 O ATOM 0 H SER A 128 7.719 7.282 9.102 1.00 12.43 H new ATOM 0 HA SER A 128 10.445 7.941 8.590 1.00 41.31 H new ATOM 0 HB2 SER A 128 8.115 7.160 6.768 1.00 13.43 H new ATOM 0 HB3 SER A 128 9.800 7.170 6.287 1.00 13.43 H new ATOM 0 HG SER A 128 10.078 5.304 7.256 1.00 71.44 H new ATOM 2099 N LEU A 129 10.364 10.347 7.986 1.00 62.25 N ATOM 2100 CA LEU A 129 10.458 11.747 7.534 1.00 64.40 C ATOM 2101 C LEU A 129 11.652 11.909 6.581 1.00 30.24 C ATOM 2102 O LEU A 129 12.710 11.300 6.795 1.00 43.03 O ATOM 2103 CB LEU A 129 10.613 12.710 8.755 1.00 42.31 C ATOM 2104 CG LEU A 129 9.503 12.626 9.855 1.00 71.51 C ATOM 2105 CD1 LEU A 129 9.738 13.654 10.982 1.00 4.33 C ATOM 2106 CD2 LEU A 129 8.089 12.776 9.255 1.00 32.01 C ATOM 0 H LEU A 129 11.129 10.066 8.599 1.00 62.25 H new ATOM 0 HA LEU A 129 9.540 12.005 7.006 1.00 64.40 H new ATOM 0 HB2 LEU A 129 11.576 12.512 9.226 1.00 42.31 H new ATOM 0 HB3 LEU A 129 10.646 13.733 8.381 1.00 42.31 H new ATOM 0 HG LEU A 129 9.570 11.631 10.295 1.00 71.51 H new ATOM 0 HD11 LEU A 129 8.947 13.565 11.727 1.00 4.33 H new ATOM 0 HD12 LEU A 129 10.702 13.464 11.453 1.00 4.33 H new ATOM 0 HD13 LEU A 129 9.731 14.661 10.564 1.00 4.33 H new ATOM 0 HD21 LEU A 129 7.347 12.712 10.051 1.00 32.01 H new ATOM 0 HD22 LEU A 129 8.005 13.742 8.758 1.00 32.01 H new ATOM 0 HD23 LEU A 129 7.914 11.980 8.532 1.00 32.01 H new ATOM 2118 N GLU A 130 11.468 12.711 5.521 1.00 25.10 N ATOM 2119 CA GLU A 130 12.574 13.140 4.655 1.00 55.11 C ATOM 2120 C GLU A 130 13.352 14.269 5.358 1.00 25.22 C ATOM 2121 O GLU A 130 12.761 15.272 5.773 1.00 44.43 O ATOM 2122 CB GLU A 130 12.060 13.574 3.250 1.00 3.30 C ATOM 2123 CG GLU A 130 10.965 14.655 3.252 1.00 31.21 C ATOM 2124 CD GLU A 130 10.634 15.174 1.848 1.00 13.14 C ATOM 2125 OE1 GLU A 130 9.747 14.613 1.187 1.00 31.13 O ATOM 2126 OE2 GLU A 130 11.269 16.149 1.396 1.00 23.35 O ATOM 0 H GLU A 130 10.557 13.077 5.243 1.00 25.10 H new ATOM 0 HA GLU A 130 13.249 12.301 4.487 1.00 55.11 H new ATOM 0 HB2 GLU A 130 12.907 13.940 2.669 1.00 3.30 H new ATOM 0 HB3 GLU A 130 11.677 12.694 2.734 1.00 3.30 H new ATOM 0 HG2 GLU A 130 10.061 14.248 3.706 1.00 31.21 H new ATOM 0 HG3 GLU A 130 11.287 15.489 3.875 1.00 31.21 H new ATOM 2133 N HIS A 131 14.666 14.068 5.551 1.00 42.32 N ATOM 2134 CA HIS A 131 15.531 15.036 6.254 1.00 32.20 C ATOM 2135 C HIS A 131 16.279 15.932 5.256 1.00 44.04 C ATOM 2136 O HIS A 131 16.697 15.477 4.183 1.00 72.50 O ATOM 2137 CB HIS A 131 16.548 14.304 7.170 1.00 23.40 C ATOM 2138 CG HIS A 131 15.920 13.523 8.299 1.00 53.21 C ATOM 2139 ND1 HIS A 131 15.811 14.050 9.565 1.00 64.52 N ATOM 2140 CD2 HIS A 131 15.379 12.281 8.299 1.00 43.13 C ATOM 2141 CE1 HIS A 131 15.219 13.120 10.295 1.00 1.24 C ATOM 2142 NE2 HIS A 131 14.939 12.035 9.570 1.00 35.44 N ATOM 0 H HIS A 131 15.158 13.236 5.227 1.00 42.32 H new ATOM 0 HA HIS A 131 14.889 15.663 6.872 1.00 32.20 H new ATOM 0 HB2 HIS A 131 17.143 13.624 6.561 1.00 23.40 H new ATOM 0 HB3 HIS A 131 17.234 15.039 7.590 1.00 23.40 H new ATOM 0 HD2 HIS A 131 15.309 11.612 7.454 1.00 43.13 H new ATOM 0 HE1 HIS A 131 14.991 13.225 11.345 1.00 1.24 H new ATOM 0 HE2 HIS A 131 14.484 11.184 9.901 1.00 35.44 H new ATOM 2150 N HIS A 132 16.428 17.207 5.631 1.00 4.14 N ATOM 2151 CA HIS A 132 17.271 18.185 4.933 1.00 5.23 C ATOM 2152 C HIS A 132 17.850 19.149 5.968 1.00 52.32 C ATOM 2153 O HIS A 132 17.138 19.594 6.876 1.00 20.34 O ATOM 2154 CB HIS A 132 16.471 18.972 3.852 1.00 55.11 C ATOM 2155 CG HIS A 132 17.230 20.129 3.217 1.00 71.12 C ATOM 2156 ND1 HIS A 132 18.185 19.921 2.250 1.00 32.13 N ATOM 2157 CD2 HIS A 132 17.171 21.463 3.483 1.00 4.34 C ATOM 2158 CE1 HIS A 132 18.669 21.113 1.948 1.00 74.24 C ATOM 2159 NE2 HIS A 132 18.084 22.077 2.669 1.00 23.45 N ATOM 0 H HIS A 132 15.955 17.597 6.447 1.00 4.14 H new ATOM 0 HA HIS A 132 18.071 17.655 4.415 1.00 5.23 H new ATOM 0 HB2 HIS A 132 16.169 18.279 3.067 1.00 55.11 H new ATOM 0 HB3 HIS A 132 15.558 19.359 4.305 1.00 55.11 H new ATOM 0 HD1 HIS A 132 18.464 19.027 1.847 1.00 32.13 H new ATOM 0 HD2 HIS A 132 16.525 21.946 4.201 1.00 4.34 H new ATOM 0 HE1 HIS A 132 19.440 21.287 1.212 1.00 74.24 H new ATOM 2167 N HIS A 133 19.135 19.468 5.822 1.00 1.31 N ATOM 2168 CA HIS A 133 19.801 20.497 6.611 1.00 22.13 C ATOM 2169 C HIS A 133 20.743 21.279 5.701 1.00 22.11 C ATOM 2170 O HIS A 133 21.778 20.749 5.272 1.00 44.51 O ATOM 2171 CB HIS A 133 20.572 19.888 7.810 1.00 25.43 C ATOM 2172 CG HIS A 133 21.191 20.926 8.715 1.00 15.33 C ATOM 2173 ND1 HIS A 133 22.487 21.385 8.574 1.00 33.24 N ATOM 2174 CD2 HIS A 133 20.667 21.627 9.748 1.00 13.12 C ATOM 2175 CE1 HIS A 133 22.726 22.308 9.482 1.00 14.44 C ATOM 2176 NE2 HIS A 133 21.642 22.471 10.211 1.00 12.53 N ATOM 0 H HIS A 133 19.747 19.013 5.145 1.00 1.31 H new ATOM 0 HA HIS A 133 19.049 21.167 7.027 1.00 22.13 H new ATOM 0 HB2 HIS A 133 19.891 19.268 8.393 1.00 25.43 H new ATOM 0 HB3 HIS A 133 21.356 19.232 7.433 1.00 25.43 H new ATOM 0 HD2 HIS A 133 19.663 21.537 10.136 1.00 13.12 H new ATOM 0 HE1 HIS A 133 23.656 22.842 9.608 1.00 14.44 H new ATOM 0 HE2 HIS A 133 21.544 23.119 10.992 1.00 12.53 H new ATOM 2185 N HIS A 134 20.363 22.529 5.376 1.00 42.21 N ATOM 2186 CA HIS A 134 21.251 23.453 4.655 1.00 62.21 C ATOM 2187 C HIS A 134 22.393 23.865 5.602 1.00 23.35 C ATOM 2188 O HIS A 134 22.142 24.147 6.784 1.00 24.43 O ATOM 2189 CB HIS A 134 20.483 24.696 4.113 1.00 35.12 C ATOM 2190 CG HIS A 134 19.966 25.663 5.156 1.00 3.44 C ATOM 2191 ND1 HIS A 134 20.684 26.764 5.586 1.00 35.32 N ATOM 2192 CD2 HIS A 134 18.804 25.690 5.853 1.00 53.12 C ATOM 2193 CE1 HIS A 134 19.982 27.421 6.486 1.00 3.44 C ATOM 2194 NE2 HIS A 134 18.841 26.791 6.667 1.00 33.21 N ATOM 0 H HIS A 134 19.448 22.919 5.602 1.00 42.21 H new ATOM 0 HA HIS A 134 21.661 22.949 3.780 1.00 62.21 H new ATOM 0 HB2 HIS A 134 21.143 25.240 3.437 1.00 35.12 H new ATOM 0 HB3 HIS A 134 19.638 24.346 3.520 1.00 35.12 H new ATOM 0 HD1 HIS A 134 21.613 27.026 5.257 1.00 35.32 H new ATOM 0 HD2 HIS A 134 17.998 24.975 5.780 1.00 53.12 H new ATOM 0 HE1 HIS A 134 20.291 28.325 6.991 1.00 3.44 H new ATOM 2203 N HIS A 135 23.636 23.858 5.101 1.00 55.24 N ATOM 2204 CA HIS A 135 24.826 24.101 5.940 1.00 42.22 C ATOM 2205 C HIS A 135 24.918 25.579 6.346 1.00 40.10 C ATOM 2206 O HIS A 135 25.128 25.896 7.519 1.00 51.52 O ATOM 2207 CB HIS A 135 26.127 23.633 5.222 1.00 63.25 C ATOM 2208 CG HIS A 135 26.217 22.145 4.988 1.00 11.12 C ATOM 2209 ND1 HIS A 135 27.281 21.550 4.349 1.00 70.31 N ATOM 2210 CD2 HIS A 135 25.380 21.132 5.324 1.00 55.23 C ATOM 2211 CE1 HIS A 135 27.094 20.247 4.300 1.00 75.52 C ATOM 2212 NE2 HIS A 135 25.950 19.970 4.886 1.00 31.44 N ATOM 0 H HIS A 135 23.848 23.687 4.118 1.00 55.24 H new ATOM 0 HA HIS A 135 24.720 23.509 6.849 1.00 42.22 H new ATOM 0 HB2 HIS A 135 26.199 24.143 4.262 1.00 63.25 H new ATOM 0 HB3 HIS A 135 26.986 23.947 5.815 1.00 63.25 H new ATOM 0 HD2 HIS A 135 24.437 21.226 5.842 1.00 55.23 H new ATOM 0 HE1 HIS A 135 27.766 19.528 3.854 1.00 75.52 H new ATOM 0 HE2 HIS A 135 25.552 19.037 4.996 1.00 31.44 H new ATOM 2221 N HIS A 136 24.740 26.475 5.364 1.00 34.31 N ATOM 2222 CA HIS A 136 24.818 27.933 5.557 1.00 45.01 C ATOM 2223 C HIS A 136 23.699 28.597 4.731 1.00 61.02 C ATOM 2224 O HIS A 136 22.680 29.002 5.308 1.00 73.21 O ATOM 2225 CB HIS A 136 26.220 28.484 5.146 1.00 73.41 C ATOM 2226 CG HIS A 136 27.350 27.932 5.969 1.00 1.54 C ATOM 2227 ND1 HIS A 136 27.711 28.461 7.189 1.00 43.31 N ATOM 2228 CD2 HIS A 136 28.168 26.868 5.768 1.00 25.44 C ATOM 2229 CE1 HIS A 136 28.690 27.747 7.699 1.00 32.13 C ATOM 2230 NE2 HIS A 136 28.985 26.781 6.860 1.00 0.13 N ATOM 2231 OXT HIS A 136 23.825 28.659 3.497 1.00 37.26 O ATOM 0 H HIS A 136 24.535 26.206 4.402 1.00 34.31 H new ATOM 0 HA HIS A 136 24.683 28.167 6.613 1.00 45.01 H new ATOM 0 HB2 HIS A 136 26.399 28.251 4.096 1.00 73.41 H new ATOM 0 HB3 HIS A 136 26.214 29.570 5.235 1.00 73.41 H new ATOM 0 HD2 HIS A 136 28.172 26.214 4.908 1.00 25.44 H new ATOM 0 HE1 HIS A 136 29.171 27.925 8.649 1.00 32.13 H new ATOM 0 HE2 HIS A 136 29.709 26.077 7.001 1.00 0.13 H new TER 2240 HIS A 136