USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 887 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 100 LYS NZ :NH3+ 122:sc= -0.126 (180deg=-0.507) USER MOD Set 1.2: A 104 SER OG : rot -72:sc= 0.668 USER MOD Set 2.1: A 1 MET CE :methyl -165:sc= -0.575 (180deg=-0.937) USER MOD Set 2.2: A 79 SER OG : rot -5:sc= 0.332 USER MOD Set 3.1: A 71 ASN : amide:sc= 1.51 K(o=2,f=-1.3) USER MOD Set 3.2: A 74 LYS NZ :NH3+ -107:sc= 0.483 (180deg=-0.0233) USER MOD Set 4.1: A 19 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.91) USER MOD Set 4.2: A 33 THR OG1 : rot 180:sc=-0.00718 USER MOD Single : A 1 MET N :NH3+ 171:sc= 0.599 (180deg=0.47) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.562 (180deg=-0.735) USER MOD Single : A 9 SER OG : rot -65:sc= 1.01 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 16 SER OG : rot -46:sc= 0.447 USER MOD Single : A 17 SER OG : rot 67:sc= 0.65 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.0635 (180deg=-0.458) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0192 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0221 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.239 X(o=0.24,f=-0.031) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 0.202 (180deg=-0.194) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -120:sc= -1.26 (180deg=-2.22!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.77! X(o=-1.8!,f=-1.4) USER MOD Single : A 52 LYS NZ :NH3+ -173:sc= -0.557 (180deg=-0.643) USER MOD Single : A 59 ASN : amide:sc= -1.18 K(o=-1.2,f=-3.9!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0176 USER MOD Single : A 63 GLN : amide:sc= -0.575 X(o=-0.57,f=-0.21) USER MOD Single : A 64 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.9!) USER MOD Single : A 67 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.58) USER MOD Single : A 70 GLN : amide:sc= -1.53! K(o=-1.5!,f=-0.62) USER MOD Single : A 75 LYS NZ :NH3+ -145:sc= 0.434 (180deg=0.0195) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -165:sc= -0.742 (180deg=-1.1) USER MOD Single : A 85 SER OG : rot 51:sc= 0.27 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 85:sc= 1 USER MOD Single : A 93 GLN : amide:sc= -0.397 K(o=-0.4,f=-0.94) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.377 K(o=-0.38,f=-1.6) USER MOD Single : A 108 HIS : no HD1:sc= 0.236 K(o=0.24,f=-1.1) USER MOD Single : A 109 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.124 K(o=-0.12,f=-3.6!) USER MOD Single : A 111 HIS : no HD1:sc=-0.00466 X(o=-0.0047,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.069 16.070 -0.250 1.00 3.21 N ATOM 2 CA MET A 1 3.231 15.688 1.172 1.00 52.05 C ATOM 3 C MET A 1 3.931 14.324 1.305 1.00 40.41 C ATOM 4 O MET A 1 4.678 14.095 2.264 1.00 51.14 O ATOM 5 CB MET A 1 1.854 15.669 1.886 1.00 1.13 C ATOM 6 CG MET A 1 0.865 14.599 1.378 1.00 35.22 C ATOM 7 SD MET A 1 -0.711 14.609 2.261 1.00 31.12 S ATOM 8 CE MET A 1 -0.197 14.417 3.970 1.00 44.13 C ATOM 0 H1 MET A 1 2.463 16.913 -0.316 1.00 3.21 H new ATOM 0 H2 MET A 1 4.001 16.280 -0.661 1.00 3.21 H new ATOM 0 H3 MET A 1 2.629 15.286 -0.772 1.00 3.21 H new ATOM 0 HA MET A 1 3.863 16.434 1.653 1.00 52.05 H new ATOM 0 HB2 MET A 1 2.018 15.512 2.952 1.00 1.13 H new ATOM 0 HB3 MET A 1 1.392 16.650 1.775 1.00 1.13 H new ATOM 0 HG2 MET A 1 0.680 14.760 0.316 1.00 35.22 H new ATOM 0 HG3 MET A 1 1.323 13.615 1.476 1.00 35.22 H new ATOM 0 HE1 MET A 1 -1.058 14.143 4.580 1.00 44.13 H new ATOM 0 HE2 MET A 1 0.559 13.635 4.037 1.00 44.13 H new ATOM 0 HE3 MET A 1 0.220 15.357 4.332 1.00 44.13 H new ATOM 20 N GLY A 2 3.678 13.421 0.333 1.00 33.13 N ATOM 21 CA GLY A 2 4.205 12.060 0.379 1.00 52.11 C ATOM 22 C GLY A 2 3.461 11.223 1.399 1.00 60.04 C ATOM 23 O GLY A 2 3.941 11.049 2.517 1.00 64.33 O ATOM 0 H GLY A 2 3.110 13.621 -0.490 1.00 33.13 H new ATOM 0 HA2 GLY A 2 4.120 11.600 -0.606 1.00 52.11 H new ATOM 0 HA3 GLY A 2 5.266 12.085 0.628 1.00 52.11 H new ATOM 27 N LYS A 3 2.263 10.728 1.030 1.00 52.15 N ATOM 28 CA LYS A 3 1.418 9.923 1.933 1.00 32.34 C ATOM 29 C LYS A 3 0.977 8.646 1.207 1.00 71.42 C ATOM 30 O LYS A 3 0.559 8.703 0.046 1.00 10.43 O ATOM 31 CB LYS A 3 0.175 10.737 2.432 1.00 71.01 C ATOM 32 CG LYS A 3 -0.361 10.285 3.817 1.00 60.32 C ATOM 33 CD LYS A 3 -1.662 11.000 4.252 1.00 24.12 C ATOM 34 CE LYS A 3 -1.998 10.764 5.735 1.00 61.14 C ATOM 35 NZ LYS A 3 -2.066 9.319 6.067 1.00 2.31 N ATOM 0 H LYS A 3 1.857 10.873 0.106 1.00 52.15 H new ATOM 0 HA LYS A 3 2.002 9.656 2.814 1.00 32.34 H new ATOM 0 HB2 LYS A 3 0.442 11.793 2.484 1.00 71.01 H new ATOM 0 HB3 LYS A 3 -0.625 10.646 1.697 1.00 71.01 H new ATOM 0 HG2 LYS A 3 -0.540 9.210 3.793 1.00 60.32 H new ATOM 0 HG3 LYS A 3 0.408 10.463 4.569 1.00 60.32 H new ATOM 0 HD2 LYS A 3 -1.562 12.070 4.072 1.00 24.12 H new ATOM 0 HD3 LYS A 3 -2.489 10.649 3.635 1.00 24.12 H new ATOM 0 HE2 LYS A 3 -1.244 11.244 6.358 1.00 61.14 H new ATOM 0 HE3 LYS A 3 -2.952 11.235 5.970 1.00 61.14 H new ATOM 0 HZ1 LYS A 3 -2.006 9.196 7.098 1.00 2.31 H new ATOM 0 HZ2 LYS A 3 -2.965 8.926 5.723 1.00 2.31 H new ATOM 0 HZ3 LYS A 3 -1.274 8.821 5.612 1.00 2.31 H new ATOM 49 N VAL A 4 1.060 7.504 1.903 1.00 2.14 N ATOM 50 CA VAL A 4 0.772 6.180 1.323 1.00 21.34 C ATOM 51 C VAL A 4 0.066 5.272 2.350 1.00 22.51 C ATOM 52 O VAL A 4 0.286 5.401 3.552 1.00 11.22 O ATOM 53 CB VAL A 4 2.087 5.511 0.799 1.00 41.43 C ATOM 54 CG1 VAL A 4 3.107 5.279 1.927 1.00 64.42 C ATOM 55 CG2 VAL A 4 1.789 4.210 0.029 1.00 2.54 C ATOM 0 H VAL A 4 1.329 7.470 2.886 1.00 2.14 H new ATOM 0 HA VAL A 4 0.098 6.317 0.477 1.00 21.34 H new ATOM 0 HB VAL A 4 2.543 6.211 0.099 1.00 41.43 H new ATOM 0 HG11 VAL A 4 4.003 4.813 1.517 1.00 64.42 H new ATOM 0 HG12 VAL A 4 3.370 6.234 2.382 1.00 64.42 H new ATOM 0 HG13 VAL A 4 2.671 4.625 2.683 1.00 64.42 H new ATOM 0 HG21 VAL A 4 2.724 3.772 -0.321 1.00 2.54 H new ATOM 0 HG22 VAL A 4 1.282 3.505 0.688 1.00 2.54 H new ATOM 0 HG23 VAL A 4 1.150 4.431 -0.826 1.00 2.54 H new ATOM 65 N LEU A 5 -0.823 4.396 1.853 1.00 74.52 N ATOM 66 CA LEU A 5 -1.560 3.420 2.666 1.00 32.34 C ATOM 67 C LEU A 5 -0.968 2.019 2.438 1.00 4.33 C ATOM 68 O LEU A 5 -1.141 1.432 1.364 1.00 13.35 O ATOM 69 CB LEU A 5 -3.064 3.438 2.284 1.00 2.22 C ATOM 70 CG LEU A 5 -3.988 2.448 3.068 1.00 71.35 C ATOM 71 CD1 LEU A 5 -4.002 2.750 4.579 1.00 73.03 C ATOM 72 CD2 LEU A 5 -5.416 2.428 2.477 1.00 71.44 C ATOM 0 H LEU A 5 -1.052 4.347 0.860 1.00 74.52 H new ATOM 0 HA LEU A 5 -1.468 3.681 3.720 1.00 32.34 H new ATOM 0 HB2 LEU A 5 -3.443 4.449 2.431 1.00 2.22 H new ATOM 0 HB3 LEU A 5 -3.150 3.217 1.220 1.00 2.22 H new ATOM 0 HG LEU A 5 -3.569 1.449 2.949 1.00 71.35 H new ATOM 0 HD11 LEU A 5 -4.655 2.040 5.086 1.00 73.03 H new ATOM 0 HD12 LEU A 5 -2.991 2.661 4.977 1.00 73.03 H new ATOM 0 HD13 LEU A 5 -4.369 3.763 4.744 1.00 73.03 H new ATOM 0 HD21 LEU A 5 -6.034 1.731 3.043 1.00 71.44 H new ATOM 0 HD22 LEU A 5 -5.848 3.427 2.536 1.00 71.44 H new ATOM 0 HD23 LEU A 5 -5.374 2.112 1.435 1.00 71.44 H new ATOM 84 N LEU A 6 -0.254 1.512 3.440 1.00 0.14 N ATOM 85 CA LEU A 6 0.339 0.170 3.421 1.00 10.15 C ATOM 86 C LEU A 6 -0.745 -0.868 3.778 1.00 23.45 C ATOM 87 O LEU A 6 -1.005 -1.128 4.956 1.00 14.41 O ATOM 88 CB LEU A 6 1.523 0.112 4.433 1.00 4.34 C ATOM 89 CG LEU A 6 2.304 -1.237 4.545 1.00 71.32 C ATOM 90 CD1 LEU A 6 2.954 -1.626 3.207 1.00 73.21 C ATOM 91 CD2 LEU A 6 3.345 -1.180 5.688 1.00 13.21 C ATOM 0 H LEU A 6 -0.066 2.026 4.301 1.00 0.14 H new ATOM 0 HA LEU A 6 0.725 -0.057 2.427 1.00 10.15 H new ATOM 0 HB2 LEU A 6 2.235 0.893 4.165 1.00 4.34 H new ATOM 0 HB3 LEU A 6 1.135 0.360 5.421 1.00 4.34 H new ATOM 0 HG LEU A 6 1.585 -2.018 4.790 1.00 71.32 H new ATOM 0 HD11 LEU A 6 3.488 -2.569 3.323 1.00 73.21 H new ATOM 0 HD12 LEU A 6 2.182 -1.738 2.446 1.00 73.21 H new ATOM 0 HD13 LEU A 6 3.654 -0.848 2.902 1.00 73.21 H new ATOM 0 HD21 LEU A 6 3.875 -2.131 5.745 1.00 13.21 H new ATOM 0 HD22 LEU A 6 4.057 -0.379 5.492 1.00 13.21 H new ATOM 0 HD23 LEU A 6 2.837 -0.990 6.634 1.00 13.21 H new ATOM 103 N VAL A 7 -1.413 -1.405 2.750 1.00 25.35 N ATOM 104 CA VAL A 7 -2.405 -2.478 2.904 1.00 74.12 C ATOM 105 C VAL A 7 -1.682 -3.832 2.986 1.00 30.02 C ATOM 106 O VAL A 7 -1.126 -4.322 1.993 1.00 72.43 O ATOM 107 CB VAL A 7 -3.450 -2.494 1.726 1.00 11.43 C ATOM 108 CG1 VAL A 7 -4.478 -3.646 1.891 1.00 43.44 C ATOM 109 CG2 VAL A 7 -4.156 -1.125 1.615 1.00 41.05 C ATOM 0 H VAL A 7 -1.281 -1.107 1.784 1.00 25.35 H new ATOM 0 HA VAL A 7 -2.960 -2.293 3.824 1.00 74.12 H new ATOM 0 HB VAL A 7 -2.909 -2.678 0.798 1.00 11.43 H new ATOM 0 HG11 VAL A 7 -5.183 -3.626 1.060 1.00 43.44 H new ATOM 0 HG12 VAL A 7 -3.955 -4.602 1.900 1.00 43.44 H new ATOM 0 HG13 VAL A 7 -5.019 -3.520 2.829 1.00 43.44 H new ATOM 0 HG21 VAL A 7 -4.875 -1.152 0.796 1.00 41.05 H new ATOM 0 HG22 VAL A 7 -4.676 -0.907 2.548 1.00 41.05 H new ATOM 0 HG23 VAL A 7 -3.416 -0.348 1.422 1.00 41.05 H new ATOM 119 N ILE A 8 -1.653 -4.389 4.195 1.00 61.43 N ATOM 120 CA ILE A 8 -1.092 -5.709 4.480 1.00 2.35 C ATOM 121 C ILE A 8 -2.243 -6.698 4.692 1.00 42.41 C ATOM 122 O ILE A 8 -3.039 -6.546 5.634 1.00 2.05 O ATOM 123 CB ILE A 8 -0.168 -5.679 5.756 1.00 51.32 C ATOM 124 CG1 ILE A 8 0.928 -4.581 5.598 1.00 74.44 C ATOM 125 CG2 ILE A 8 0.463 -7.072 6.027 1.00 71.15 C ATOM 126 CD1 ILE A 8 1.921 -4.493 6.736 1.00 31.40 C ATOM 0 H ILE A 8 -2.027 -3.925 5.023 1.00 61.43 H new ATOM 0 HA ILE A 8 -0.477 -6.019 3.635 1.00 2.35 H new ATOM 0 HB ILE A 8 -0.782 -5.430 6.621 1.00 51.32 H new ATOM 0 HG12 ILE A 8 1.475 -4.767 4.674 1.00 74.44 H new ATOM 0 HG13 ILE A 8 0.437 -3.614 5.490 1.00 74.44 H new ATOM 0 HG21 ILE A 8 1.095 -7.019 6.914 1.00 71.15 H new ATOM 0 HG22 ILE A 8 -0.328 -7.804 6.188 1.00 71.15 H new ATOM 0 HG23 ILE A 8 1.065 -7.372 5.169 1.00 71.15 H new ATOM 0 HD11 ILE A 8 2.640 -3.700 6.531 1.00 31.40 H new ATOM 0 HD12 ILE A 8 1.393 -4.272 7.664 1.00 31.40 H new ATOM 0 HD13 ILE A 8 2.446 -5.443 6.835 1.00 31.40 H new ATOM 138 N SER A 9 -2.350 -7.677 3.788 1.00 3.13 N ATOM 139 CA SER A 9 -3.322 -8.763 3.894 1.00 14.14 C ATOM 140 C SER A 9 -2.590 -10.088 3.657 1.00 3.45 C ATOM 141 O SER A 9 -1.783 -10.196 2.722 1.00 0.24 O ATOM 142 CB SER A 9 -4.440 -8.572 2.847 1.00 31.53 C ATOM 143 OG SER A 9 -4.950 -7.253 2.858 1.00 61.12 O ATOM 0 H SER A 9 -1.760 -7.736 2.958 1.00 3.13 H new ATOM 0 HA SER A 9 -3.779 -8.765 4.883 1.00 14.14 H new ATOM 0 HB2 SER A 9 -4.052 -8.804 1.855 1.00 31.53 H new ATOM 0 HB3 SER A 9 -5.248 -9.276 3.046 1.00 31.53 H new ATOM 0 HG SER A 9 -5.394 -7.081 3.714 1.00 61.12 H new ATOM 149 N THR A 10 -2.855 -11.080 4.516 1.00 2.31 N ATOM 150 CA THR A 10 -2.311 -12.433 4.365 1.00 53.43 C ATOM 151 C THR A 10 -2.962 -13.139 3.148 1.00 41.22 C ATOM 152 O THR A 10 -2.315 -13.925 2.442 1.00 42.44 O ATOM 153 CB THR A 10 -2.539 -13.258 5.671 1.00 11.51 C ATOM 154 OG1 THR A 10 -2.211 -12.447 6.812 1.00 3.51 O ATOM 155 CG2 THR A 10 -1.691 -14.545 5.711 1.00 45.21 C ATOM 0 H THR A 10 -3.453 -10.966 5.335 1.00 2.31 H new ATOM 0 HA THR A 10 -1.238 -12.363 4.188 1.00 53.43 H new ATOM 0 HB THR A 10 -3.589 -13.551 5.690 1.00 11.51 H new ATOM 0 HG1 THR A 10 -2.355 -12.963 7.633 1.00 3.51 H new ATOM 0 HG21 THR A 10 -1.887 -15.081 6.639 1.00 45.21 H new ATOM 0 HG22 THR A 10 -1.952 -15.179 4.864 1.00 45.21 H new ATOM 0 HG23 THR A 10 -0.634 -14.286 5.658 1.00 45.21 H new ATOM 163 N ASP A 11 -4.254 -12.821 2.916 1.00 72.12 N ATOM 164 CA ASP A 11 -5.008 -13.316 1.755 1.00 1.11 C ATOM 165 C ASP A 11 -4.676 -12.461 0.522 1.00 14.03 C ATOM 166 O ASP A 11 -5.132 -11.312 0.417 1.00 60.54 O ATOM 167 CB ASP A 11 -6.536 -13.272 2.005 1.00 2.43 C ATOM 168 CG ASP A 11 -7.009 -14.209 3.116 1.00 43.20 C ATOM 169 OD1 ASP A 11 -7.023 -15.437 2.897 1.00 23.34 O ATOM 170 OD2 ASP A 11 -7.374 -13.728 4.209 1.00 33.23 O ATOM 0 H ASP A 11 -4.798 -12.215 3.530 1.00 72.12 H new ATOM 0 HA ASP A 11 -4.718 -14.353 1.588 1.00 1.11 H new ATOM 0 HB2 ASP A 11 -6.824 -12.251 2.257 1.00 2.43 H new ATOM 0 HB3 ASP A 11 -7.053 -13.530 1.081 1.00 2.43 H new ATOM 175 N THR A 12 -3.886 -13.034 -0.402 1.00 15.31 N ATOM 176 CA THR A 12 -3.565 -12.410 -1.697 1.00 64.02 C ATOM 177 C THR A 12 -4.807 -12.352 -2.611 1.00 3.13 C ATOM 178 O THR A 12 -4.849 -11.562 -3.557 1.00 63.13 O ATOM 179 CB THR A 12 -2.404 -13.180 -2.408 1.00 32.35 C ATOM 180 OG1 THR A 12 -2.736 -14.578 -2.494 1.00 41.23 O ATOM 181 CG2 THR A 12 -1.057 -13.010 -1.666 1.00 13.34 C ATOM 0 H THR A 12 -3.450 -13.947 -0.271 1.00 15.31 H new ATOM 0 HA THR A 12 -3.239 -11.388 -1.502 1.00 64.02 H new ATOM 0 HB THR A 12 -2.287 -12.759 -3.406 1.00 32.35 H new ATOM 0 HG1 THR A 12 -2.009 -15.060 -2.941 1.00 41.23 H new ATOM 0 HG21 THR A 12 -0.279 -13.561 -2.194 1.00 13.34 H new ATOM 0 HG22 THR A 12 -0.792 -11.953 -1.630 1.00 13.34 H new ATOM 0 HG23 THR A 12 -1.150 -13.396 -0.651 1.00 13.34 H new ATOM 189 N ASN A 13 -5.804 -13.210 -2.311 1.00 62.02 N ATOM 190 CA ASN A 13 -7.112 -13.229 -2.986 1.00 43.42 C ATOM 191 C ASN A 13 -7.891 -11.951 -2.660 1.00 3.24 C ATOM 192 O ASN A 13 -8.444 -11.315 -3.551 1.00 61.34 O ATOM 193 CB ASN A 13 -7.933 -14.479 -2.561 1.00 44.41 C ATOM 194 CG ASN A 13 -9.362 -14.477 -3.128 1.00 30.03 C ATOM 195 OD1 ASN A 13 -9.600 -14.896 -4.264 1.00 0.24 O ATOM 196 ND2 ASN A 13 -10.310 -13.990 -2.340 1.00 2.04 N ATOM 0 H ASN A 13 -5.719 -13.918 -1.582 1.00 62.02 H new ATOM 0 HA ASN A 13 -6.943 -13.278 -4.062 1.00 43.42 H new ATOM 0 HB2 ASN A 13 -7.416 -15.378 -2.896 1.00 44.41 H new ATOM 0 HB3 ASN A 13 -7.979 -14.524 -1.473 1.00 44.41 H new ATOM 0 HD21 ASN A 13 -11.275 -13.952 -2.667 1.00 2.04 H new ATOM 0 HD22 ASN A 13 -10.074 -13.653 -1.407 1.00 2.04 H new ATOM 203 N ILE A 14 -7.922 -11.591 -1.361 1.00 14.04 N ATOM 204 CA ILE A 14 -8.640 -10.402 -0.884 1.00 35.43 C ATOM 205 C ILE A 14 -7.949 -9.119 -1.398 1.00 21.21 C ATOM 206 O ILE A 14 -8.626 -8.150 -1.749 1.00 41.21 O ATOM 207 CB ILE A 14 -8.771 -10.407 0.682 1.00 51.34 C ATOM 208 CG1 ILE A 14 -9.606 -11.643 1.163 1.00 34.01 C ATOM 209 CG2 ILE A 14 -9.380 -9.093 1.214 1.00 40.42 C ATOM 210 CD1 ILE A 14 -11.022 -11.746 0.601 1.00 74.03 C ATOM 0 H ILE A 14 -7.453 -12.114 -0.622 1.00 14.04 H new ATOM 0 HA ILE A 14 -9.653 -10.423 -1.287 1.00 35.43 H new ATOM 0 HB ILE A 14 -7.765 -10.486 1.093 1.00 51.34 H new ATOM 0 HG12 ILE A 14 -9.063 -12.550 0.898 1.00 34.01 H new ATOM 0 HG13 ILE A 14 -9.668 -11.615 2.251 1.00 34.01 H new ATOM 0 HG21 ILE A 14 -9.453 -9.139 2.301 1.00 40.42 H new ATOM 0 HG22 ILE A 14 -8.744 -8.255 0.928 1.00 40.42 H new ATOM 0 HG23 ILE A 14 -10.374 -8.955 0.790 1.00 40.42 H new ATOM 0 HD11 ILE A 14 -11.508 -12.637 0.999 1.00 74.03 H new ATOM 0 HD12 ILE A 14 -11.592 -10.863 0.888 1.00 74.03 H new ATOM 0 HD13 ILE A 14 -10.978 -11.812 -0.486 1.00 74.03 H new ATOM 222 N ILE A 15 -6.599 -9.153 -1.468 1.00 73.32 N ATOM 223 CA ILE A 15 -5.798 -8.106 -2.137 1.00 51.21 C ATOM 224 C ILE A 15 -6.245 -7.952 -3.602 1.00 22.52 C ATOM 225 O ILE A 15 -6.532 -6.852 -4.046 1.00 74.13 O ATOM 226 CB ILE A 15 -4.261 -8.443 -2.103 1.00 64.11 C ATOM 227 CG1 ILE A 15 -3.737 -8.463 -0.638 1.00 1.12 C ATOM 228 CG2 ILE A 15 -3.440 -7.468 -2.988 1.00 70.04 C ATOM 229 CD1 ILE A 15 -2.304 -8.932 -0.477 1.00 20.42 C ATOM 0 H ILE A 15 -6.038 -9.903 -1.064 1.00 73.32 H new ATOM 0 HA ILE A 15 -5.962 -7.174 -1.596 1.00 51.21 H new ATOM 0 HB ILE A 15 -4.128 -9.440 -2.523 1.00 64.11 H new ATOM 0 HG12 ILE A 15 -3.824 -7.459 -0.223 1.00 1.12 H new ATOM 0 HG13 ILE A 15 -4.384 -9.110 -0.045 1.00 1.12 H new ATOM 0 HG21 ILE A 15 -2.384 -7.733 -2.938 1.00 70.04 H new ATOM 0 HG22 ILE A 15 -3.783 -7.537 -4.020 1.00 70.04 H new ATOM 0 HG23 ILE A 15 -3.575 -6.448 -2.628 1.00 70.04 H new ATOM 0 HD11 ILE A 15 -2.031 -8.911 0.578 1.00 20.42 H new ATOM 0 HD12 ILE A 15 -2.209 -9.950 -0.856 1.00 20.42 H new ATOM 0 HD13 ILE A 15 -1.640 -8.273 -1.037 1.00 20.42 H new ATOM 241 N SER A 16 -6.328 -9.092 -4.308 1.00 20.44 N ATOM 242 CA SER A 16 -6.686 -9.146 -5.732 1.00 4.32 C ATOM 243 C SER A 16 -8.095 -8.566 -5.968 1.00 52.14 C ATOM 244 O SER A 16 -8.293 -7.803 -6.905 1.00 64.25 O ATOM 245 CB SER A 16 -6.576 -10.607 -6.237 1.00 2.53 C ATOM 246 OG SER A 16 -6.643 -10.681 -7.645 1.00 24.43 O ATOM 0 H SER A 16 -6.146 -10.009 -3.901 1.00 20.44 H new ATOM 0 HA SER A 16 -5.990 -8.530 -6.302 1.00 4.32 H new ATOM 0 HB2 SER A 16 -5.636 -11.040 -5.894 1.00 2.53 H new ATOM 0 HB3 SER A 16 -7.379 -11.203 -5.803 1.00 2.53 H new ATOM 0 HG SER A 16 -7.376 -10.117 -7.968 1.00 24.43 H new ATOM 252 N SER A 17 -9.036 -8.880 -5.063 1.00 4.35 N ATOM 253 CA SER A 17 -10.422 -8.400 -5.149 1.00 32.44 C ATOM 254 C SER A 17 -10.483 -6.862 -5.007 1.00 2.24 C ATOM 255 O SER A 17 -10.971 -6.168 -5.903 1.00 2.31 O ATOM 256 CB SER A 17 -11.273 -9.071 -4.053 1.00 32.32 C ATOM 257 OG SER A 17 -11.202 -10.490 -4.120 1.00 72.40 O ATOM 0 H SER A 17 -8.856 -9.473 -4.253 1.00 4.35 H new ATOM 0 HA SER A 17 -10.822 -8.665 -6.128 1.00 32.44 H new ATOM 0 HB2 SER A 17 -10.932 -8.736 -3.073 1.00 32.32 H new ATOM 0 HB3 SER A 17 -12.311 -8.754 -4.155 1.00 32.32 H new ATOM 0 HG SER A 17 -10.292 -10.783 -3.902 1.00 72.40 H new ATOM 263 N VAL A 18 -9.920 -6.355 -3.897 1.00 51.11 N ATOM 264 CA VAL A 18 -9.973 -4.929 -3.530 1.00 64.22 C ATOM 265 C VAL A 18 -9.187 -4.057 -4.525 1.00 24.55 C ATOM 266 O VAL A 18 -9.702 -3.046 -5.005 1.00 21.41 O ATOM 267 CB VAL A 18 -9.412 -4.722 -2.077 1.00 4.33 C ATOM 268 CG1 VAL A 18 -9.298 -3.224 -1.713 1.00 65.20 C ATOM 269 CG2 VAL A 18 -10.270 -5.492 -1.046 1.00 1.21 C ATOM 0 H VAL A 18 -9.411 -6.928 -3.224 1.00 51.11 H new ATOM 0 HA VAL A 18 -11.017 -4.618 -3.564 1.00 64.22 H new ATOM 0 HB VAL A 18 -8.402 -5.131 -2.050 1.00 4.33 H new ATOM 0 HG11 VAL A 18 -8.906 -3.124 -0.701 1.00 65.20 H new ATOM 0 HG12 VAL A 18 -8.624 -2.730 -2.413 1.00 65.20 H new ATOM 0 HG13 VAL A 18 -10.283 -2.760 -1.768 1.00 65.20 H new ATOM 0 HG21 VAL A 18 -9.865 -5.336 -0.046 1.00 1.21 H new ATOM 0 HG22 VAL A 18 -11.297 -5.128 -1.083 1.00 1.21 H new ATOM 0 HG23 VAL A 18 -10.254 -6.556 -1.282 1.00 1.21 H new ATOM 279 N GLN A 19 -7.951 -4.482 -4.830 1.00 35.33 N ATOM 280 CA GLN A 19 -7.016 -3.723 -5.674 1.00 75.40 C ATOM 281 C GLN A 19 -7.545 -3.587 -7.111 1.00 72.22 C ATOM 282 O GLN A 19 -7.509 -2.493 -7.670 1.00 32.21 O ATOM 283 CB GLN A 19 -5.616 -4.388 -5.665 1.00 12.52 C ATOM 284 CG GLN A 19 -4.579 -3.698 -6.557 1.00 44.25 C ATOM 285 CD GLN A 19 -3.183 -4.296 -6.423 1.00 43.20 C ATOM 286 OE1 GLN A 19 -2.835 -5.254 -7.108 1.00 63.40 O ATOM 287 NE2 GLN A 19 -2.363 -3.721 -5.566 1.00 45.35 N ATOM 0 H GLN A 19 -7.570 -5.367 -4.496 1.00 35.33 H new ATOM 0 HA GLN A 19 -6.926 -2.719 -5.258 1.00 75.40 H new ATOM 0 HB2 GLN A 19 -5.242 -4.405 -4.641 1.00 12.52 H new ATOM 0 HB3 GLN A 19 -5.718 -5.425 -5.984 1.00 12.52 H new ATOM 0 HG2 GLN A 19 -4.899 -3.767 -7.597 1.00 44.25 H new ATOM 0 HG3 GLN A 19 -4.540 -2.638 -6.305 1.00 44.25 H new ATOM 0 HE21 GLN A 19 -2.681 -2.927 -5.011 1.00 45.35 H new ATOM 0 HE22 GLN A 19 -1.411 -4.070 -5.458 1.00 45.35 H new ATOM 296 N GLU A 20 -8.061 -4.701 -7.685 1.00 2.02 N ATOM 297 CA GLU A 20 -8.626 -4.700 -9.056 1.00 54.30 C ATOM 298 C GLU A 20 -9.871 -3.804 -9.142 1.00 71.40 C ATOM 299 O GLU A 20 -10.042 -3.091 -10.126 1.00 2.11 O ATOM 300 CB GLU A 20 -8.965 -6.131 -9.545 1.00 34.24 C ATOM 301 CG GLU A 20 -7.733 -6.999 -9.871 1.00 30.34 C ATOM 302 CD GLU A 20 -8.117 -8.391 -10.378 1.00 43.01 C ATOM 303 OE1 GLU A 20 -8.318 -9.300 -9.551 1.00 71.23 O ATOM 304 OE2 GLU A 20 -8.240 -8.590 -11.606 1.00 53.20 O ATOM 0 H GLU A 20 -8.097 -5.609 -7.221 1.00 2.02 H new ATOM 0 HA GLU A 20 -7.856 -4.295 -9.713 1.00 54.30 H new ATOM 0 HB2 GLU A 20 -9.556 -6.633 -8.779 1.00 34.24 H new ATOM 0 HB3 GLU A 20 -9.590 -6.060 -10.435 1.00 34.24 H new ATOM 0 HG2 GLU A 20 -7.126 -6.496 -10.624 1.00 30.34 H new ATOM 0 HG3 GLU A 20 -7.115 -7.098 -8.978 1.00 30.34 H new ATOM 311 N ARG A 21 -10.740 -3.856 -8.107 1.00 74.44 N ATOM 312 CA ARG A 21 -11.943 -2.997 -8.032 1.00 12.34 C ATOM 313 C ARG A 21 -11.543 -1.522 -7.909 1.00 41.12 C ATOM 314 O ARG A 21 -12.173 -0.657 -8.502 1.00 22.32 O ATOM 315 CB ARG A 21 -12.857 -3.381 -6.836 1.00 22.51 C ATOM 316 CG ARG A 21 -13.576 -4.741 -6.961 1.00 41.33 C ATOM 317 CD ARG A 21 -14.545 -4.996 -5.791 1.00 63.14 C ATOM 318 NE ARG A 21 -15.149 -6.337 -5.846 1.00 20.34 N ATOM 319 CZ ARG A 21 -16.218 -6.743 -5.141 1.00 70.54 C ATOM 320 NH1 ARG A 21 -16.847 -5.909 -4.306 1.00 31.12 N ATOM 321 NH2 ARG A 21 -16.658 -7.992 -5.279 1.00 52.43 N ATOM 0 H ARG A 21 -10.630 -4.485 -7.311 1.00 74.44 H new ATOM 0 HA ARG A 21 -12.503 -3.152 -8.954 1.00 12.34 H new ATOM 0 HB2 ARG A 21 -12.254 -3.390 -5.928 1.00 22.51 H new ATOM 0 HB3 ARG A 21 -13.609 -2.602 -6.711 1.00 22.51 H new ATOM 0 HG2 ARG A 21 -14.127 -4.774 -7.901 1.00 41.33 H new ATOM 0 HG3 ARG A 21 -12.835 -5.540 -6.998 1.00 41.33 H new ATOM 0 HD2 ARG A 21 -14.011 -4.879 -4.848 1.00 63.14 H new ATOM 0 HD3 ARG A 21 -15.334 -4.244 -5.805 1.00 63.14 H new ATOM 0 HE ARG A 21 -14.719 -7.017 -6.473 1.00 20.34 H new ATOM 0 HH11 ARG A 21 -16.516 -4.950 -4.198 1.00 31.12 H new ATOM 0 HH12 ARG A 21 -17.657 -6.232 -3.777 1.00 31.12 H new ATOM 0 HH21 ARG A 21 -16.184 -8.632 -5.916 1.00 52.43 H new ATOM 0 HH22 ARG A 21 -17.469 -8.309 -4.748 1.00 52.43 H new ATOM 335 N ALA A 22 -10.485 -1.262 -7.132 1.00 62.33 N ATOM 336 CA ALA A 22 -9.989 0.098 -6.879 1.00 21.52 C ATOM 337 C ALA A 22 -9.323 0.694 -8.138 1.00 64.11 C ATOM 338 O ALA A 22 -9.407 1.890 -8.372 1.00 75.12 O ATOM 339 CB ALA A 22 -9.038 0.090 -5.674 1.00 20.50 C ATOM 0 H ALA A 22 -9.947 -1.989 -6.660 1.00 62.33 H new ATOM 0 HA ALA A 22 -10.834 0.743 -6.639 1.00 21.52 H new ATOM 0 HB1 ALA A 22 -8.674 1.101 -5.491 1.00 20.50 H new ATOM 0 HB2 ALA A 22 -9.570 -0.269 -4.793 1.00 20.50 H new ATOM 0 HB3 ALA A 22 -8.194 -0.568 -5.881 1.00 20.50 H new ATOM 345 N LYS A 23 -8.699 -0.164 -8.963 1.00 51.01 N ATOM 346 CA LYS A 23 -8.075 0.251 -10.241 1.00 74.21 C ATOM 347 C LYS A 23 -9.143 0.437 -11.338 1.00 74.41 C ATOM 348 O LYS A 23 -9.075 1.382 -12.133 1.00 52.12 O ATOM 349 CB LYS A 23 -7.031 -0.808 -10.694 1.00 12.40 C ATOM 350 CG LYS A 23 -5.758 -0.880 -9.819 1.00 10.12 C ATOM 351 CD LYS A 23 -4.804 -2.022 -10.252 1.00 22.13 C ATOM 352 CE LYS A 23 -3.461 -1.984 -9.508 1.00 71.12 C ATOM 353 NZ LYS A 23 -2.664 -0.779 -9.851 1.00 73.41 N ATOM 0 H LYS A 23 -8.611 -1.161 -8.768 1.00 51.01 H new ATOM 0 HA LYS A 23 -7.573 1.205 -10.082 1.00 74.21 H new ATOM 0 HB2 LYS A 23 -7.507 -1.788 -10.699 1.00 12.40 H new ATOM 0 HB3 LYS A 23 -6.737 -0.592 -11.721 1.00 12.40 H new ATOM 0 HG2 LYS A 23 -5.229 0.071 -9.874 1.00 10.12 H new ATOM 0 HG3 LYS A 23 -6.045 -1.026 -8.778 1.00 10.12 H new ATOM 0 HD2 LYS A 23 -5.288 -2.982 -10.072 1.00 22.13 H new ATOM 0 HD3 LYS A 23 -4.623 -1.952 -11.325 1.00 22.13 H new ATOM 0 HE2 LYS A 23 -3.642 -2.004 -8.433 1.00 71.12 H new ATOM 0 HE3 LYS A 23 -2.887 -2.878 -9.751 1.00 71.12 H new ATOM 0 HZ1 LYS A 23 -1.932 -0.630 -9.128 1.00 73.41 H new ATOM 0 HZ2 LYS A 23 -2.213 -0.914 -10.778 1.00 73.41 H new ATOM 0 HZ3 LYS A 23 -3.289 0.052 -9.888 1.00 73.41 H new ATOM 367 N HIS A 24 -10.127 -0.470 -11.365 1.00 32.24 N ATOM 368 CA HIS A 24 -11.193 -0.477 -12.383 1.00 11.35 C ATOM 369 C HIS A 24 -12.134 0.720 -12.168 1.00 35.43 C ATOM 370 O HIS A 24 -12.490 1.419 -13.116 1.00 13.23 O ATOM 371 CB HIS A 24 -11.975 -1.816 -12.331 1.00 13.12 C ATOM 372 CG HIS A 24 -13.093 -1.947 -13.336 1.00 75.42 C ATOM 373 ND1 HIS A 24 -12.904 -2.415 -14.620 1.00 34.12 N ATOM 374 CD2 HIS A 24 -14.412 -1.660 -13.242 1.00 5.13 C ATOM 375 CE1 HIS A 24 -14.055 -2.419 -15.258 1.00 10.32 C ATOM 376 NE2 HIS A 24 -14.982 -1.961 -14.447 1.00 25.21 N ATOM 0 H HIS A 24 -10.210 -1.223 -10.682 1.00 32.24 H new ATOM 0 HA HIS A 24 -10.743 -0.386 -13.372 1.00 11.35 H new ATOM 0 HB2 HIS A 24 -11.272 -2.635 -12.485 1.00 13.12 H new ATOM 0 HB3 HIS A 24 -12.391 -1.937 -11.331 1.00 13.12 H new ATOM 0 HD2 HIS A 24 -14.921 -1.266 -12.375 1.00 5.13 H new ATOM 0 HE1 HIS A 24 -14.211 -2.744 -16.276 1.00 10.32 H new ATOM 0 HE2 HIS A 24 -15.969 -1.848 -14.680 1.00 25.21 H new ATOM 385 N ASN A 25 -12.505 0.950 -10.903 1.00 41.42 N ATOM 386 CA ASN A 25 -13.459 2.012 -10.516 1.00 1.32 C ATOM 387 C ASN A 25 -12.756 3.377 -10.417 1.00 52.02 C ATOM 388 O ASN A 25 -13.375 4.419 -10.676 1.00 72.12 O ATOM 389 CB ASN A 25 -14.158 1.644 -9.178 1.00 1.45 C ATOM 390 CG ASN A 25 -15.223 2.664 -8.751 1.00 62.52 C ATOM 391 OD1 ASN A 25 -16.386 2.568 -9.126 1.00 75.22 O ATOM 392 ND2 ASN A 25 -14.830 3.658 -7.990 1.00 14.11 N ATOM 0 H ASN A 25 -12.155 0.408 -10.113 1.00 41.42 H new ATOM 0 HA ASN A 25 -14.221 2.091 -11.292 1.00 1.32 H new ATOM 0 HB2 ASN A 25 -14.623 0.663 -9.276 1.00 1.45 H new ATOM 0 HB3 ASN A 25 -13.406 1.563 -8.393 1.00 1.45 H new ATOM 0 HD21 ASN A 25 -15.498 4.372 -7.698 1.00 14.11 H new ATOM 0 HD22 ASN A 25 -13.857 3.717 -7.690 1.00 14.11 H new ATOM 399 N TYR A 26 -11.469 3.380 -10.015 1.00 14.50 N ATOM 400 CA TYR A 26 -10.644 4.603 -9.999 1.00 1.43 C ATOM 401 C TYR A 26 -9.482 4.449 -11.019 1.00 52.52 C ATOM 402 O TYR A 26 -8.372 4.043 -10.645 1.00 24.24 O ATOM 403 CB TYR A 26 -10.108 4.900 -8.568 1.00 51.31 C ATOM 404 CG TYR A 26 -11.174 4.856 -7.457 1.00 24.11 C ATOM 405 CD1 TYR A 26 -12.074 5.907 -7.272 1.00 14.44 C ATOM 406 CD2 TYR A 26 -11.291 3.749 -6.606 1.00 60.24 C ATOM 407 CE1 TYR A 26 -13.048 5.855 -6.294 1.00 34.13 C ATOM 408 CE2 TYR A 26 -12.259 3.695 -5.627 1.00 41.12 C ATOM 409 CZ TYR A 26 -13.134 4.749 -5.475 1.00 61.54 C ATOM 410 OH TYR A 26 -14.120 4.684 -4.522 1.00 45.05 O ATOM 0 H TYR A 26 -10.978 2.545 -9.696 1.00 14.50 H new ATOM 0 HA TYR A 26 -11.259 5.454 -10.290 1.00 1.43 H new ATOM 0 HB2 TYR A 26 -9.326 4.178 -8.331 1.00 51.31 H new ATOM 0 HB3 TYR A 26 -9.643 5.886 -8.567 1.00 51.31 H new ATOM 0 HD1 TYR A 26 -12.007 6.778 -7.906 1.00 14.44 H new ATOM 0 HD2 TYR A 26 -10.608 2.920 -6.720 1.00 60.24 H new ATOM 0 HE1 TYR A 26 -13.739 6.676 -6.171 1.00 34.13 H new ATOM 0 HE2 TYR A 26 -12.332 2.832 -4.982 1.00 41.12 H new ATOM 0 HH TYR A 26 -14.044 3.840 -4.030 1.00 45.05 H new ATOM 420 N PRO A 27 -9.735 4.742 -12.339 1.00 3.43 N ATOM 421 CA PRO A 27 -8.730 4.540 -13.420 1.00 42.42 C ATOM 422 C PRO A 27 -7.569 5.561 -13.373 1.00 73.11 C ATOM 423 O PRO A 27 -6.448 5.256 -13.798 1.00 31.32 O ATOM 424 CB PRO A 27 -9.577 4.683 -14.710 1.00 63.32 C ATOM 425 CG PRO A 27 -10.699 5.606 -14.327 1.00 62.35 C ATOM 426 CD PRO A 27 -11.024 5.276 -12.884 1.00 0.14 C ATOM 0 HA PRO A 27 -8.221 3.580 -13.337 1.00 42.42 H new ATOM 0 HB2 PRO A 27 -8.986 5.095 -15.528 1.00 63.32 H new ATOM 0 HB3 PRO A 27 -9.955 3.717 -15.045 1.00 63.32 H new ATOM 0 HG2 PRO A 27 -10.402 6.649 -14.433 1.00 62.35 H new ATOM 0 HG3 PRO A 27 -11.567 5.455 -14.969 1.00 62.35 H new ATOM 0 HD2 PRO A 27 -11.354 6.159 -12.337 1.00 0.14 H new ATOM 0 HD3 PRO A 27 -11.824 4.539 -12.813 1.00 0.14 H new ATOM 434 N GLY A 28 -7.852 6.760 -12.829 1.00 31.12 N ATOM 435 CA GLY A 28 -6.869 7.836 -12.709 1.00 20.21 C ATOM 436 C GLY A 28 -6.240 7.887 -11.324 1.00 42.04 C ATOM 437 O GLY A 28 -5.840 8.960 -10.866 1.00 73.45 O ATOM 0 H GLY A 28 -8.772 7.003 -12.462 1.00 31.12 H new ATOM 0 HA2 GLY A 28 -6.088 7.697 -13.456 1.00 20.21 H new ATOM 0 HA3 GLY A 28 -7.349 8.791 -12.924 1.00 20.21 H new ATOM 441 N ARG A 29 -6.194 6.727 -10.636 1.00 32.44 N ATOM 442 CA ARG A 29 -5.504 6.565 -9.342 1.00 54.42 C ATOM 443 C ARG A 29 -4.397 5.524 -9.494 1.00 12.22 C ATOM 444 O ARG A 29 -4.638 4.442 -10.032 1.00 54.40 O ATOM 445 CB ARG A 29 -6.495 6.138 -8.218 1.00 63.44 C ATOM 446 CG ARG A 29 -7.525 7.221 -7.832 1.00 45.25 C ATOM 447 CD ARG A 29 -6.876 8.470 -7.223 1.00 74.35 C ATOM 448 NE ARG A 29 -7.856 9.521 -6.963 1.00 64.12 N ATOM 449 CZ ARG A 29 -7.608 10.833 -6.988 1.00 40.04 C ATOM 450 NH1 ARG A 29 -6.392 11.300 -7.273 1.00 45.44 N ATOM 451 NH2 ARG A 29 -8.596 11.684 -6.772 1.00 53.03 N ATOM 0 H ARG A 29 -6.639 5.871 -10.967 1.00 32.44 H new ATOM 0 HA ARG A 29 -5.074 7.524 -9.053 1.00 54.42 H new ATOM 0 HB2 ARG A 29 -7.029 5.244 -8.541 1.00 63.44 H new ATOM 0 HB3 ARG A 29 -5.924 5.864 -7.331 1.00 63.44 H new ATOM 0 HG2 ARG A 29 -8.093 7.507 -8.717 1.00 45.25 H new ATOM 0 HG3 ARG A 29 -8.235 6.802 -7.119 1.00 45.25 H new ATOM 0 HD2 ARG A 29 -6.376 8.202 -6.293 1.00 74.35 H new ATOM 0 HD3 ARG A 29 -6.110 8.848 -7.900 1.00 74.35 H new ATOM 0 HE ARG A 29 -8.808 9.229 -6.744 1.00 64.12 H new ATOM 0 HH11 ARG A 29 -5.632 10.652 -7.477 1.00 45.44 H new ATOM 0 HH12 ARG A 29 -6.222 12.306 -7.287 1.00 45.44 H new ATOM 0 HH21 ARG A 29 -9.537 11.337 -6.588 1.00 53.03 H new ATOM 0 HH22 ARG A 29 -8.417 12.688 -6.789 1.00 53.03 H new ATOM 465 N GLU A 30 -3.187 5.879 -9.038 1.00 44.13 N ATOM 466 CA GLU A 30 -2.012 5.002 -9.092 1.00 60.43 C ATOM 467 C GLU A 30 -2.002 4.141 -7.817 1.00 63.34 C ATOM 468 O GLU A 30 -2.084 4.667 -6.699 1.00 41.44 O ATOM 469 CB GLU A 30 -0.686 5.830 -9.217 1.00 72.12 C ATOM 470 CG GLU A 30 -0.623 6.824 -10.416 1.00 13.31 C ATOM 471 CD GLU A 30 -1.594 8.018 -10.286 1.00 41.31 C ATOM 472 OE1 GLU A 30 -1.561 8.702 -9.243 1.00 50.42 O ATOM 473 OE2 GLU A 30 -2.428 8.246 -11.177 1.00 14.13 O ATOM 0 H GLU A 30 -2.997 6.789 -8.619 1.00 44.13 H new ATOM 0 HA GLU A 30 -2.070 4.366 -9.975 1.00 60.43 H new ATOM 0 HB2 GLU A 30 -0.541 6.392 -8.294 1.00 72.12 H new ATOM 0 HB3 GLU A 30 0.149 5.134 -9.301 1.00 72.12 H new ATOM 0 HG2 GLU A 30 0.395 7.203 -10.509 1.00 13.31 H new ATOM 0 HG3 GLU A 30 -0.847 6.284 -11.336 1.00 13.31 H new ATOM 480 N ILE A 31 -1.971 2.821 -7.993 1.00 62.03 N ATOM 481 CA ILE A 31 -1.911 1.849 -6.893 1.00 31.11 C ATOM 482 C ILE A 31 -0.704 0.936 -7.126 1.00 52.22 C ATOM 483 O ILE A 31 -0.516 0.424 -8.239 1.00 31.24 O ATOM 484 CB ILE A 31 -3.238 1.003 -6.806 1.00 63.41 C ATOM 485 CG1 ILE A 31 -4.462 1.929 -6.504 1.00 72.21 C ATOM 486 CG2 ILE A 31 -3.114 -0.133 -5.760 1.00 12.41 C ATOM 487 CD1 ILE A 31 -5.799 1.221 -6.470 1.00 62.34 C ATOM 0 H ILE A 31 -1.987 2.386 -8.916 1.00 62.03 H new ATOM 0 HA ILE A 31 -1.805 2.377 -5.945 1.00 31.11 H new ATOM 0 HB ILE A 31 -3.404 0.532 -7.775 1.00 63.41 H new ATOM 0 HG12 ILE A 31 -4.301 2.419 -5.544 1.00 72.21 H new ATOM 0 HG13 ILE A 31 -4.501 2.714 -7.259 1.00 72.21 H new ATOM 0 HG21 ILE A 31 -4.046 -0.698 -5.724 1.00 12.41 H new ATOM 0 HG22 ILE A 31 -2.297 -0.798 -6.040 1.00 12.41 H new ATOM 0 HG23 ILE A 31 -2.912 0.296 -4.779 1.00 12.41 H new ATOM 0 HD11 ILE A 31 -6.587 1.942 -6.254 1.00 62.34 H new ATOM 0 HD12 ILE A 31 -5.989 0.755 -7.437 1.00 62.34 H new ATOM 0 HD13 ILE A 31 -5.786 0.455 -5.695 1.00 62.34 H new ATOM 499 N ARG A 32 0.095 0.727 -6.077 1.00 51.43 N ATOM 500 CA ARG A 32 1.317 -0.075 -6.127 1.00 11.22 C ATOM 501 C ARG A 32 1.060 -1.461 -5.523 1.00 72.04 C ATOM 502 O ARG A 32 0.287 -1.598 -4.568 1.00 2.33 O ATOM 503 CB ARG A 32 2.457 0.666 -5.366 1.00 73.14 C ATOM 504 CG ARG A 32 3.159 1.790 -6.169 1.00 34.34 C ATOM 505 CD ARG A 32 3.905 1.234 -7.398 1.00 53.44 C ATOM 506 NE ARG A 32 4.889 2.179 -7.953 1.00 33.42 N ATOM 507 CZ ARG A 32 6.175 1.878 -8.226 1.00 2.43 C ATOM 508 NH1 ARG A 32 6.655 0.652 -8.005 1.00 3.14 N ATOM 509 NH2 ARG A 32 6.980 2.804 -8.720 1.00 21.23 N ATOM 0 H ARG A 32 -0.093 1.118 -5.154 1.00 51.43 H new ATOM 0 HA ARG A 32 1.624 -0.211 -7.164 1.00 11.22 H new ATOM 0 HB2 ARG A 32 2.044 1.096 -4.453 1.00 73.14 H new ATOM 0 HB3 ARG A 32 3.206 -0.066 -5.063 1.00 73.14 H new ATOM 0 HG2 ARG A 32 2.419 2.522 -6.493 1.00 34.34 H new ATOM 0 HG3 ARG A 32 3.863 2.314 -5.522 1.00 34.34 H new ATOM 0 HD2 ARG A 32 4.414 0.311 -7.120 1.00 53.44 H new ATOM 0 HD3 ARG A 32 3.180 0.978 -8.171 1.00 53.44 H new ATOM 0 HE ARG A 32 4.575 3.130 -8.145 1.00 33.42 H new ATOM 0 HH11 ARG A 32 6.047 -0.073 -7.624 1.00 3.14 H new ATOM 0 HH12 ARG A 32 7.630 0.440 -8.217 1.00 3.14 H new ATOM 0 HH21 ARG A 32 6.628 3.745 -8.894 1.00 21.23 H new ATOM 0 HH22 ARG A 32 7.953 2.577 -8.927 1.00 21.23 H new ATOM 523 N THR A 33 1.695 -2.486 -6.106 1.00 41.30 N ATOM 524 CA THR A 33 1.595 -3.874 -5.654 1.00 54.11 C ATOM 525 C THR A 33 3.010 -4.386 -5.330 1.00 72.20 C ATOM 526 O THR A 33 3.773 -4.738 -6.241 1.00 71.13 O ATOM 527 CB THR A 33 0.938 -4.775 -6.758 1.00 65.35 C ATOM 528 OG1 THR A 33 -0.158 -4.081 -7.371 1.00 71.23 O ATOM 529 CG2 THR A 33 0.428 -6.104 -6.175 1.00 51.25 C ATOM 0 H THR A 33 2.302 -2.369 -6.918 1.00 41.30 H new ATOM 0 HA THR A 33 0.965 -3.920 -4.766 1.00 54.11 H new ATOM 0 HB THR A 33 1.705 -4.995 -7.501 1.00 65.35 H new ATOM 0 HG1 THR A 33 -0.561 -4.650 -8.060 1.00 71.23 H new ATOM 0 HG21 THR A 33 -0.020 -6.701 -6.969 1.00 51.25 H new ATOM 0 HG22 THR A 33 1.261 -6.652 -5.735 1.00 51.25 H new ATOM 0 HG23 THR A 33 -0.319 -5.902 -5.407 1.00 51.25 H new ATOM 537 N ALA A 34 3.363 -4.382 -4.043 1.00 63.22 N ATOM 538 CA ALA A 34 4.704 -4.749 -3.576 1.00 71.12 C ATOM 539 C ALA A 34 4.874 -6.279 -3.556 1.00 10.20 C ATOM 540 O ALA A 34 4.181 -6.984 -2.809 1.00 33.25 O ATOM 541 CB ALA A 34 4.937 -4.165 -2.188 1.00 55.51 C ATOM 0 H ALA A 34 2.725 -4.123 -3.291 1.00 63.22 H new ATOM 0 HA ALA A 34 5.444 -4.340 -4.264 1.00 71.12 H new ATOM 0 HB1 ALA A 34 5.934 -4.438 -1.841 1.00 55.51 H new ATOM 0 HB2 ALA A 34 4.852 -3.079 -2.231 1.00 55.51 H new ATOM 0 HB3 ALA A 34 4.192 -4.560 -1.497 1.00 55.51 H new ATOM 547 N THR A 35 5.777 -6.770 -4.410 1.00 13.40 N ATOM 548 CA THR A 35 6.107 -8.201 -4.521 1.00 55.30 C ATOM 549 C THR A 35 7.358 -8.527 -3.670 1.00 13.10 C ATOM 550 O THR A 35 7.491 -9.633 -3.132 1.00 65.13 O ATOM 551 CB THR A 35 6.371 -8.570 -6.023 1.00 44.15 C ATOM 552 OG1 THR A 35 5.433 -7.875 -6.865 1.00 54.42 O ATOM 553 CG2 THR A 35 6.259 -10.089 -6.290 1.00 74.11 C ATOM 0 H THR A 35 6.307 -6.182 -5.052 1.00 13.40 H new ATOM 0 HA THR A 35 5.267 -8.788 -4.150 1.00 55.30 H new ATOM 0 HB THR A 35 7.393 -8.267 -6.252 1.00 44.15 H new ATOM 0 HG1 THR A 35 5.601 -8.106 -7.802 1.00 54.42 H new ATOM 0 HG21 THR A 35 6.451 -10.288 -7.344 1.00 74.11 H new ATOM 0 HG22 THR A 35 6.991 -10.620 -5.681 1.00 74.11 H new ATOM 0 HG23 THR A 35 5.256 -10.431 -6.033 1.00 74.11 H new ATOM 561 N SER A 36 8.247 -7.534 -3.534 1.00 54.13 N ATOM 562 CA SER A 36 9.569 -7.696 -2.902 1.00 2.33 C ATOM 563 C SER A 36 9.921 -6.442 -2.078 1.00 73.04 C ATOM 564 O SER A 36 9.241 -5.415 -2.191 1.00 25.33 O ATOM 565 CB SER A 36 10.632 -7.950 -4.007 1.00 72.43 C ATOM 566 OG SER A 36 11.938 -8.114 -3.471 1.00 32.12 O ATOM 0 H SER A 36 8.069 -6.585 -3.862 1.00 54.13 H new ATOM 0 HA SER A 36 9.551 -8.549 -2.223 1.00 2.33 H new ATOM 0 HB2 SER A 36 10.359 -8.841 -4.573 1.00 72.43 H new ATOM 0 HB3 SER A 36 10.631 -7.115 -4.708 1.00 72.43 H new ATOM 0 HG SER A 36 12.573 -8.273 -4.200 1.00 32.12 H new ATOM 572 N SER A 37 10.966 -6.552 -1.231 1.00 25.25 N ATOM 573 CA SER A 37 11.533 -5.414 -0.487 1.00 22.21 C ATOM 574 C SER A 37 12.273 -4.464 -1.446 1.00 3.02 C ATOM 575 O SER A 37 12.390 -3.266 -1.179 1.00 72.44 O ATOM 576 CB SER A 37 12.480 -5.922 0.620 1.00 3.21 C ATOM 577 OG SER A 37 13.535 -6.695 0.077 1.00 22.54 O ATOM 0 H SER A 37 11.440 -7.436 -1.045 1.00 25.25 H new ATOM 0 HA SER A 37 10.721 -4.859 -0.017 1.00 22.21 H new ATOM 0 HB2 SER A 37 12.892 -5.074 1.167 1.00 3.21 H new ATOM 0 HB3 SER A 37 11.918 -6.521 1.336 1.00 3.21 H new ATOM 0 HG SER A 37 14.121 -7.003 0.800 1.00 22.54 H new ATOM 583 N GLN A 38 12.772 -5.022 -2.573 1.00 64.31 N ATOM 584 CA GLN A 38 13.376 -4.236 -3.666 1.00 30.44 C ATOM 585 C GLN A 38 12.283 -3.430 -4.404 1.00 13.14 C ATOM 586 O GLN A 38 12.516 -2.291 -4.845 1.00 23.23 O ATOM 587 CB GLN A 38 14.140 -5.166 -4.649 1.00 52.42 C ATOM 588 CG GLN A 38 14.847 -4.448 -5.830 1.00 75.32 C ATOM 589 CD GLN A 38 15.889 -3.420 -5.380 1.00 20.44 C ATOM 590 OE1 GLN A 38 17.054 -3.748 -5.177 1.00 45.00 O ATOM 591 NE2 GLN A 38 15.488 -2.164 -5.246 1.00 33.52 N ATOM 0 H GLN A 38 12.766 -6.027 -2.747 1.00 64.31 H new ATOM 0 HA GLN A 38 14.095 -3.535 -3.241 1.00 30.44 H new ATOM 0 HB2 GLN A 38 14.887 -5.726 -4.087 1.00 52.42 H new ATOM 0 HB3 GLN A 38 13.437 -5.893 -5.056 1.00 52.42 H new ATOM 0 HG2 GLN A 38 15.331 -5.193 -6.461 1.00 75.32 H new ATOM 0 HG3 GLN A 38 14.097 -3.949 -6.444 1.00 75.32 H new ATOM 0 HE21 GLN A 38 14.514 -1.918 -5.421 1.00 33.52 H new ATOM 0 HE22 GLN A 38 16.154 -1.443 -4.968 1.00 33.52 H new ATOM 600 N ASP A 39 11.082 -4.036 -4.510 1.00 13.50 N ATOM 601 CA ASP A 39 9.888 -3.373 -5.056 1.00 42.44 C ATOM 602 C ASP A 39 9.498 -2.200 -4.132 1.00 30.13 C ATOM 603 O ASP A 39 9.260 -1.097 -4.607 1.00 22.14 O ATOM 604 CB ASP A 39 8.723 -4.401 -5.191 1.00 3.03 C ATOM 605 CG ASP A 39 7.547 -3.968 -6.094 1.00 21.04 C ATOM 606 OD1 ASP A 39 7.331 -2.761 -6.307 1.00 70.04 O ATOM 607 OD2 ASP A 39 6.822 -4.860 -6.597 1.00 44.21 O ATOM 0 H ASP A 39 10.917 -4.999 -4.218 1.00 13.50 H new ATOM 0 HA ASP A 39 10.099 -2.979 -6.050 1.00 42.44 H new ATOM 0 HB2 ASP A 39 9.130 -5.334 -5.579 1.00 3.03 H new ATOM 0 HB3 ASP A 39 8.333 -4.613 -4.195 1.00 3.03 H new ATOM 612 N ILE A 40 9.501 -2.469 -2.804 1.00 14.44 N ATOM 613 CA ILE A 40 9.279 -1.456 -1.747 1.00 13.53 C ATOM 614 C ILE A 40 10.225 -0.243 -1.935 1.00 61.52 C ATOM 615 O ILE A 40 9.781 0.910 -1.874 1.00 75.31 O ATOM 616 CB ILE A 40 9.485 -2.098 -0.312 1.00 25.43 C ATOM 617 CG1 ILE A 40 8.357 -3.128 0.033 1.00 62.25 C ATOM 618 CG2 ILE A 40 9.619 -1.037 0.799 1.00 50.41 C ATOM 619 CD1 ILE A 40 6.965 -2.536 0.221 1.00 51.41 C ATOM 0 H ILE A 40 9.660 -3.406 -2.434 1.00 14.44 H new ATOM 0 HA ILE A 40 8.251 -1.102 -1.828 1.00 13.53 H new ATOM 0 HB ILE A 40 10.431 -2.637 -0.356 1.00 25.43 H new ATOM 0 HG12 ILE A 40 8.312 -3.872 -0.762 1.00 62.25 H new ATOM 0 HG13 ILE A 40 8.636 -3.654 0.946 1.00 62.25 H new ATOM 0 HG21 ILE A 40 9.758 -1.532 1.760 1.00 50.41 H new ATOM 0 HG22 ILE A 40 10.478 -0.399 0.592 1.00 50.41 H new ATOM 0 HG23 ILE A 40 8.715 -0.428 0.832 1.00 50.41 H new ATOM 0 HD11 ILE A 40 6.259 -3.333 0.456 1.00 51.41 H new ATOM 0 HD12 ILE A 40 6.984 -1.815 1.038 1.00 51.41 H new ATOM 0 HD13 ILE A 40 6.655 -2.036 -0.697 1.00 51.41 H new ATOM 631 N ARG A 41 11.517 -0.531 -2.193 1.00 73.42 N ATOM 632 CA ARG A 41 12.540 0.502 -2.442 1.00 4.24 C ATOM 633 C ARG A 41 12.188 1.377 -3.668 1.00 22.02 C ATOM 634 O ARG A 41 12.314 2.601 -3.608 1.00 53.12 O ATOM 635 CB ARG A 41 13.929 -0.154 -2.642 1.00 30.34 C ATOM 636 CG ARG A 41 14.526 -0.808 -1.375 1.00 34.01 C ATOM 637 CD ARG A 41 14.839 0.216 -0.265 1.00 25.44 C ATOM 638 NE ARG A 41 15.414 -0.426 0.933 1.00 64.24 N ATOM 639 CZ ARG A 41 16.472 0.016 1.630 1.00 30.44 C ATOM 640 NH1 ARG A 41 17.130 1.118 1.270 1.00 44.31 N ATOM 641 NH2 ARG A 41 16.851 -0.643 2.713 1.00 40.25 N ATOM 0 H ARG A 41 11.879 -1.484 -2.234 1.00 73.42 H new ATOM 0 HA ARG A 41 12.568 1.151 -1.567 1.00 4.24 H new ATOM 0 HB2 ARG A 41 13.848 -0.912 -3.421 1.00 30.34 H new ATOM 0 HB3 ARG A 41 14.624 0.603 -3.005 1.00 30.34 H new ATOM 0 HG2 ARG A 41 13.827 -1.551 -0.991 1.00 34.01 H new ATOM 0 HG3 ARG A 41 15.440 -1.339 -1.642 1.00 34.01 H new ATOM 0 HD2 ARG A 41 15.536 0.962 -0.646 1.00 25.44 H new ATOM 0 HD3 ARG A 41 13.926 0.744 0.010 1.00 25.44 H new ATOM 0 HE ARG A 41 14.967 -1.282 1.261 1.00 64.24 H new ATOM 0 HH11 ARG A 41 16.832 1.645 0.449 1.00 44.31 H new ATOM 0 HH12 ARG A 41 17.932 1.435 1.816 1.00 44.31 H new ATOM 0 HH21 ARG A 41 16.341 -1.475 3.008 1.00 40.25 H new ATOM 0 HH22 ARG A 41 17.653 -0.319 3.253 1.00 40.25 H new ATOM 655 N ASP A 42 11.732 0.723 -4.758 1.00 13.50 N ATOM 656 CA ASP A 42 11.324 1.400 -6.011 1.00 74.42 C ATOM 657 C ASP A 42 10.100 2.329 -5.782 1.00 3.43 C ATOM 658 O ASP A 42 10.047 3.452 -6.307 1.00 41.42 O ATOM 659 CB ASP A 42 11.002 0.339 -7.101 1.00 13.23 C ATOM 660 CG ASP A 42 10.634 0.968 -8.461 1.00 52.14 C ATOM 661 OD1 ASP A 42 11.542 1.244 -9.263 1.00 34.33 O ATOM 662 OD2 ASP A 42 9.444 1.214 -8.729 1.00 1.50 O ATOM 0 H ASP A 42 11.636 -0.292 -4.795 1.00 13.50 H new ATOM 0 HA ASP A 42 12.152 2.023 -6.347 1.00 74.42 H new ATOM 0 HB2 ASP A 42 11.864 -0.315 -7.230 1.00 13.23 H new ATOM 0 HB3 ASP A 42 10.176 -0.286 -6.760 1.00 13.23 H new ATOM 667 N ILE A 43 9.142 1.845 -4.967 1.00 43.41 N ATOM 668 CA ILE A 43 7.891 2.561 -4.641 1.00 1.44 C ATOM 669 C ILE A 43 8.185 3.878 -3.894 1.00 14.05 C ATOM 670 O ILE A 43 7.746 4.952 -4.318 1.00 72.44 O ATOM 671 CB ILE A 43 6.931 1.664 -3.762 1.00 34.03 C ATOM 672 CG1 ILE A 43 6.501 0.374 -4.538 1.00 42.33 C ATOM 673 CG2 ILE A 43 5.692 2.468 -3.289 1.00 13.42 C ATOM 674 CD1 ILE A 43 5.724 -0.643 -3.716 1.00 14.33 C ATOM 0 H ILE A 43 9.215 0.936 -4.511 1.00 43.41 H new ATOM 0 HA ILE A 43 7.396 2.789 -5.585 1.00 1.44 H new ATOM 0 HB ILE A 43 7.484 1.353 -2.876 1.00 34.03 H new ATOM 0 HG12 ILE A 43 5.892 0.669 -5.393 1.00 42.33 H new ATOM 0 HG13 ILE A 43 7.395 -0.108 -4.934 1.00 42.33 H new ATOM 0 HG21 ILE A 43 5.050 1.826 -2.687 1.00 13.42 H new ATOM 0 HG22 ILE A 43 6.017 3.319 -2.691 1.00 13.42 H new ATOM 0 HG23 ILE A 43 5.137 2.825 -4.157 1.00 13.42 H new ATOM 0 HD11 ILE A 43 5.472 -1.500 -4.341 1.00 14.33 H new ATOM 0 HD12 ILE A 43 6.334 -0.974 -2.876 1.00 14.33 H new ATOM 0 HD13 ILE A 43 4.808 -0.185 -3.342 1.00 14.33 H new ATOM 686 N ILE A 44 8.949 3.771 -2.789 1.00 31.11 N ATOM 687 CA ILE A 44 9.312 4.917 -1.932 1.00 72.21 C ATOM 688 C ILE A 44 10.199 5.913 -2.711 1.00 24.14 C ATOM 689 O ILE A 44 10.044 7.130 -2.576 1.00 62.21 O ATOM 690 CB ILE A 44 10.028 4.433 -0.615 1.00 55.22 C ATOM 691 CG1 ILE A 44 9.096 3.451 0.172 1.00 0.30 C ATOM 692 CG2 ILE A 44 10.459 5.628 0.281 1.00 24.12 C ATOM 693 CD1 ILE A 44 9.725 2.833 1.401 1.00 63.33 C ATOM 0 H ILE A 44 9.333 2.884 -2.465 1.00 31.11 H new ATOM 0 HA ILE A 44 8.396 5.430 -1.641 1.00 72.21 H new ATOM 0 HB ILE A 44 10.937 3.905 -0.901 1.00 55.22 H new ATOM 0 HG12 ILE A 44 8.196 3.987 0.472 1.00 0.30 H new ATOM 0 HG13 ILE A 44 8.782 2.652 -0.500 1.00 0.30 H new ATOM 0 HG21 ILE A 44 10.949 5.251 1.179 1.00 24.12 H new ATOM 0 HG22 ILE A 44 11.151 6.265 -0.270 1.00 24.12 H new ATOM 0 HG23 ILE A 44 9.580 6.207 0.563 1.00 24.12 H new ATOM 0 HD11 ILE A 44 9.007 2.168 1.882 1.00 63.33 H new ATOM 0 HD12 ILE A 44 10.609 2.265 1.111 1.00 63.33 H new ATOM 0 HD13 ILE A 44 10.013 3.621 2.097 1.00 63.33 H new ATOM 705 N LYS A 45 11.083 5.365 -3.568 1.00 53.43 N ATOM 706 CA LYS A 45 11.933 6.143 -4.492 1.00 34.24 C ATOM 707 C LYS A 45 11.068 7.039 -5.417 1.00 33.23 C ATOM 708 O LYS A 45 11.406 8.205 -5.666 1.00 45.13 O ATOM 709 CB LYS A 45 12.809 5.169 -5.332 1.00 0.14 C ATOM 710 CG LYS A 45 13.826 5.805 -6.323 1.00 53.10 C ATOM 711 CD LYS A 45 15.137 6.350 -5.671 1.00 50.21 C ATOM 712 CE LYS A 45 14.967 7.695 -4.937 1.00 31.34 C ATOM 713 NZ LYS A 45 14.500 8.777 -5.846 1.00 24.24 N ATOM 0 H LYS A 45 11.229 4.358 -3.639 1.00 53.43 H new ATOM 0 HA LYS A 45 12.582 6.798 -3.911 1.00 34.24 H new ATOM 0 HB2 LYS A 45 13.362 4.532 -4.642 1.00 0.14 H new ATOM 0 HB3 LYS A 45 12.143 4.520 -5.901 1.00 0.14 H new ATOM 0 HG2 LYS A 45 14.094 5.060 -7.072 1.00 53.10 H new ATOM 0 HG3 LYS A 45 13.334 6.623 -6.849 1.00 53.10 H new ATOM 0 HD2 LYS A 45 15.514 5.609 -4.966 1.00 50.21 H new ATOM 0 HD3 LYS A 45 15.894 6.465 -6.447 1.00 50.21 H new ATOM 0 HE2 LYS A 45 14.253 7.574 -4.122 1.00 31.34 H new ATOM 0 HE3 LYS A 45 15.917 7.985 -4.488 1.00 31.34 H new ATOM 0 HZ1 LYS A 45 14.793 9.700 -5.466 1.00 24.24 H new ATOM 0 HZ2 LYS A 45 14.918 8.643 -6.789 1.00 24.24 H new ATOM 0 HZ3 LYS A 45 13.463 8.746 -5.919 1.00 24.24 H new ATOM 727 N SER A 46 9.939 6.473 -5.876 1.00 4.32 N ATOM 728 CA SER A 46 8.954 7.175 -6.720 1.00 14.32 C ATOM 729 C SER A 46 8.188 8.261 -5.914 1.00 3.23 C ATOM 730 O SER A 46 7.869 9.330 -6.449 1.00 54.22 O ATOM 731 CB SER A 46 7.979 6.136 -7.328 1.00 13.20 C ATOM 732 OG SER A 46 6.997 6.737 -8.156 1.00 73.35 O ATOM 0 H SER A 46 9.681 5.508 -5.671 1.00 4.32 H new ATOM 0 HA SER A 46 9.478 7.691 -7.525 1.00 14.32 H new ATOM 0 HB2 SER A 46 8.544 5.408 -7.909 1.00 13.20 H new ATOM 0 HB3 SER A 46 7.487 5.589 -6.524 1.00 13.20 H new ATOM 0 HG SER A 46 6.406 6.044 -8.518 1.00 73.35 H new ATOM 738 N MET A 47 7.931 7.985 -4.617 1.00 40.25 N ATOM 739 CA MET A 47 7.217 8.915 -3.710 1.00 41.04 C ATOM 740 C MET A 47 8.061 10.161 -3.400 1.00 53.33 C ATOM 741 O MET A 47 7.522 11.237 -3.115 1.00 74.43 O ATOM 742 CB MET A 47 6.821 8.212 -2.388 1.00 2.53 C ATOM 743 CG MET A 47 5.877 7.012 -2.559 1.00 52.42 C ATOM 744 SD MET A 47 4.908 6.685 -1.077 1.00 12.52 S ATOM 745 CE MET A 47 3.966 8.211 -0.966 1.00 55.35 C ATOM 0 H MET A 47 8.211 7.113 -4.168 1.00 40.25 H new ATOM 0 HA MET A 47 6.311 9.231 -4.228 1.00 41.04 H new ATOM 0 HB2 MET A 47 7.728 7.875 -1.885 1.00 2.53 H new ATOM 0 HB3 MET A 47 6.345 8.941 -1.733 1.00 2.53 H new ATOM 0 HG2 MET A 47 5.204 7.199 -3.396 1.00 52.42 H new ATOM 0 HG3 MET A 47 6.461 6.127 -2.811 1.00 52.42 H new ATOM 0 HE1 MET A 47 4.186 8.706 -0.020 1.00 55.35 H new ATOM 0 HE2 MET A 47 4.239 8.868 -1.792 1.00 55.35 H new ATOM 0 HE3 MET A 47 2.901 7.986 -1.019 1.00 55.35 H new ATOM 755 N LYS A 48 9.395 9.994 -3.435 1.00 62.42 N ATOM 756 CA LYS A 48 10.339 11.115 -3.286 1.00 54.41 C ATOM 757 C LYS A 48 10.269 12.037 -4.516 1.00 62.51 C ATOM 758 O LYS A 48 10.339 13.262 -4.386 1.00 52.25 O ATOM 759 CB LYS A 48 11.778 10.587 -3.097 1.00 54.13 C ATOM 760 CG LYS A 48 11.934 9.599 -1.928 1.00 21.31 C ATOM 761 CD LYS A 48 13.372 9.068 -1.802 1.00 25.01 C ATOM 762 CE LYS A 48 13.490 7.904 -0.824 1.00 14.02 C ATOM 763 NZ LYS A 48 14.906 7.510 -0.608 1.00 51.21 N ATOM 0 H LYS A 48 9.845 9.088 -3.566 1.00 62.42 H new ATOM 0 HA LYS A 48 10.060 11.688 -2.401 1.00 54.41 H new ATOM 0 HB2 LYS A 48 12.099 10.099 -4.017 1.00 54.13 H new ATOM 0 HB3 LYS A 48 12.446 11.433 -2.936 1.00 54.13 H new ATOM 0 HG2 LYS A 48 11.648 10.091 -0.998 1.00 21.31 H new ATOM 0 HG3 LYS A 48 11.251 8.762 -2.069 1.00 21.31 H new ATOM 0 HD2 LYS A 48 13.724 8.749 -2.783 1.00 25.01 H new ATOM 0 HD3 LYS A 48 14.026 9.877 -1.477 1.00 25.01 H new ATOM 0 HE2 LYS A 48 13.040 8.182 0.129 1.00 14.02 H new ATOM 0 HE3 LYS A 48 12.929 7.051 -1.204 1.00 14.02 H new ATOM 0 HZ1 LYS A 48 14.947 6.716 0.062 1.00 51.21 H new ATOM 0 HZ2 LYS A 48 15.328 7.221 -1.514 1.00 51.21 H new ATOM 0 HZ3 LYS A 48 15.436 8.317 -0.221 1.00 51.21 H new ATOM 777 N ASP A 49 10.111 11.426 -5.703 1.00 14.14 N ATOM 778 CA ASP A 49 10.019 12.150 -6.989 1.00 31.41 C ATOM 779 C ASP A 49 8.739 13.004 -7.057 1.00 2.44 C ATOM 780 O ASP A 49 8.757 14.127 -7.568 1.00 73.35 O ATOM 781 CB ASP A 49 10.060 11.146 -8.168 1.00 10.34 C ATOM 782 CG ASP A 49 9.810 11.804 -9.539 1.00 73.54 C ATOM 783 OD1 ASP A 49 10.690 12.526 -10.044 1.00 72.01 O ATOM 784 OD2 ASP A 49 8.722 11.625 -10.111 1.00 73.03 O ATOM 0 H ASP A 49 10.043 10.413 -5.801 1.00 14.14 H new ATOM 0 HA ASP A 49 10.874 12.822 -7.063 1.00 31.41 H new ATOM 0 HB2 ASP A 49 11.032 10.652 -8.182 1.00 10.34 H new ATOM 0 HB3 ASP A 49 9.311 10.372 -8.003 1.00 10.34 H new ATOM 789 N ASN A 50 7.631 12.442 -6.546 1.00 53.01 N ATOM 790 CA ASN A 50 6.329 13.130 -6.503 1.00 1.11 C ATOM 791 C ASN A 50 5.566 12.690 -5.242 1.00 74.45 C ATOM 792 O ASN A 50 5.132 11.532 -5.141 1.00 54.05 O ATOM 793 CB ASN A 50 5.496 12.836 -7.785 1.00 65.02 C ATOM 794 CG ASN A 50 4.185 13.633 -7.855 1.00 13.01 C ATOM 795 OD1 ASN A 50 4.070 14.722 -7.292 1.00 44.30 O ATOM 796 ND2 ASN A 50 3.199 13.115 -8.565 1.00 43.41 N ATOM 0 H ASN A 50 7.612 11.501 -6.152 1.00 53.01 H new ATOM 0 HA ASN A 50 6.497 14.206 -6.466 1.00 1.11 H new ATOM 0 HB2 ASN A 50 6.100 13.066 -8.663 1.00 65.02 H new ATOM 0 HB3 ASN A 50 5.268 11.771 -7.825 1.00 65.02 H new ATOM 0 HD21 ASN A 50 2.317 13.619 -8.657 1.00 43.41 H new ATOM 0 HD22 ASN A 50 3.320 12.211 -9.022 1.00 43.41 H new ATOM 803 N GLY A 51 5.429 13.633 -4.290 1.00 42.00 N ATOM 804 CA GLY A 51 4.819 13.375 -2.989 1.00 64.33 C ATOM 805 C GLY A 51 3.298 13.494 -3.009 1.00 62.55 C ATOM 806 O GLY A 51 2.719 14.381 -2.375 1.00 42.12 O ATOM 0 H GLY A 51 5.742 14.596 -4.411 1.00 42.00 H new ATOM 0 HA2 GLY A 51 5.095 12.374 -2.657 1.00 64.33 H new ATOM 0 HA3 GLY A 51 5.223 14.076 -2.259 1.00 64.33 H new ATOM 810 N LYS A 52 2.656 12.578 -3.731 1.00 53.43 N ATOM 811 CA LYS A 52 1.184 12.511 -3.875 1.00 20.23 C ATOM 812 C LYS A 52 0.629 11.296 -3.072 1.00 74.31 C ATOM 813 O LYS A 52 1.428 10.492 -2.564 1.00 51.41 O ATOM 814 CB LYS A 52 0.853 12.382 -5.389 1.00 32.15 C ATOM 815 CG LYS A 52 1.368 11.087 -6.040 1.00 71.24 C ATOM 816 CD LYS A 52 0.968 10.964 -7.522 1.00 52.54 C ATOM 817 CE LYS A 52 1.372 9.610 -8.099 1.00 23.14 C ATOM 818 NZ LYS A 52 0.660 8.496 -7.416 1.00 40.31 N ATOM 0 H LYS A 52 3.143 11.844 -4.245 1.00 53.43 H new ATOM 0 HA LYS A 52 0.716 13.411 -3.477 1.00 20.23 H new ATOM 0 HB2 LYS A 52 -0.228 12.435 -5.519 1.00 32.15 H new ATOM 0 HB3 LYS A 52 1.280 13.235 -5.917 1.00 32.15 H new ATOM 0 HG2 LYS A 52 2.454 11.051 -5.957 1.00 71.24 H new ATOM 0 HG3 LYS A 52 0.978 10.230 -5.491 1.00 71.24 H new ATOM 0 HD2 LYS A 52 -0.109 11.096 -7.622 1.00 52.54 H new ATOM 0 HD3 LYS A 52 1.441 11.761 -8.095 1.00 52.54 H new ATOM 0 HE2 LYS A 52 1.150 9.586 -9.166 1.00 23.14 H new ATOM 0 HE3 LYS A 52 2.448 9.474 -7.994 1.00 23.14 H new ATOM 0 HZ1 LYS A 52 1.041 7.586 -7.746 1.00 40.31 H new ATOM 0 HZ2 LYS A 52 0.796 8.576 -6.388 1.00 40.31 H new ATOM 0 HZ3 LYS A 52 -0.355 8.546 -7.636 1.00 40.31 H new ATOM 832 N PRO A 53 -0.734 11.158 -2.903 1.00 73.12 N ATOM 833 CA PRO A 53 -1.334 9.929 -2.316 1.00 51.23 C ATOM 834 C PRO A 53 -1.028 8.650 -3.150 1.00 21.43 C ATOM 835 O PRO A 53 -1.017 8.673 -4.395 1.00 3.13 O ATOM 836 CB PRO A 53 -2.862 10.228 -2.272 1.00 3.25 C ATOM 837 CG PRO A 53 -3.069 11.380 -3.216 1.00 24.21 C ATOM 838 CD PRO A 53 -1.787 12.188 -3.177 1.00 75.20 C ATOM 0 HA PRO A 53 -0.918 9.715 -1.332 1.00 51.23 H new ATOM 0 HB2 PRO A 53 -3.442 9.358 -2.580 1.00 3.25 H new ATOM 0 HB3 PRO A 53 -3.184 10.484 -1.263 1.00 3.25 H new ATOM 0 HG2 PRO A 53 -3.276 11.025 -4.226 1.00 24.21 H new ATOM 0 HG3 PRO A 53 -3.922 11.986 -2.911 1.00 24.21 H new ATOM 0 HD2 PRO A 53 -1.608 12.704 -4.121 1.00 75.20 H new ATOM 0 HD3 PRO A 53 -1.816 12.950 -2.398 1.00 75.20 H new ATOM 846 N LEU A 54 -0.746 7.551 -2.432 1.00 32.13 N ATOM 847 CA LEU A 54 -0.557 6.196 -3.000 1.00 1.30 C ATOM 848 C LEU A 54 -1.160 5.153 -2.052 1.00 64.42 C ATOM 849 O LEU A 54 -1.417 5.442 -0.889 1.00 53.22 O ATOM 850 CB LEU A 54 0.966 5.898 -3.239 1.00 64.11 C ATOM 851 CG LEU A 54 1.547 6.312 -4.628 1.00 61.12 C ATOM 852 CD1 LEU A 54 3.072 6.093 -4.679 1.00 42.14 C ATOM 853 CD2 LEU A 54 0.845 5.540 -5.765 1.00 61.51 C ATOM 0 H LEU A 54 -0.640 7.575 -1.418 1.00 32.13 H new ATOM 0 HA LEU A 54 -1.066 6.146 -3.963 1.00 1.30 H new ATOM 0 HB2 LEU A 54 1.539 6.407 -2.464 1.00 64.11 H new ATOM 0 HB3 LEU A 54 1.129 4.829 -3.106 1.00 64.11 H new ATOM 0 HG LEU A 54 1.357 7.376 -4.768 1.00 61.12 H new ATOM 0 HD11 LEU A 54 3.450 6.390 -5.658 1.00 42.14 H new ATOM 0 HD12 LEU A 54 3.552 6.695 -3.907 1.00 42.14 H new ATOM 0 HD13 LEU A 54 3.294 5.040 -4.508 1.00 42.14 H new ATOM 0 HD21 LEU A 54 1.265 5.843 -6.724 1.00 61.51 H new ATOM 0 HD22 LEU A 54 0.996 4.470 -5.625 1.00 61.51 H new ATOM 0 HD23 LEU A 54 -0.222 5.761 -5.750 1.00 61.51 H new ATOM 865 N VAL A 55 -1.393 3.932 -2.569 1.00 14.44 N ATOM 866 CA VAL A 55 -1.868 2.782 -1.774 1.00 34.43 C ATOM 867 C VAL A 55 -1.058 1.536 -2.197 1.00 31.41 C ATOM 868 O VAL A 55 -1.168 1.090 -3.340 1.00 43.33 O ATOM 869 CB VAL A 55 -3.421 2.512 -1.970 1.00 44.21 C ATOM 870 CG1 VAL A 55 -3.893 1.337 -1.086 1.00 43.43 C ATOM 871 CG2 VAL A 55 -4.271 3.784 -1.688 1.00 74.14 C ATOM 0 H VAL A 55 -1.256 3.714 -3.556 1.00 14.44 H new ATOM 0 HA VAL A 55 -1.719 3.005 -0.717 1.00 34.43 H new ATOM 0 HB VAL A 55 -3.571 2.242 -3.015 1.00 44.21 H new ATOM 0 HG11 VAL A 55 -4.960 1.172 -1.239 1.00 43.43 H new ATOM 0 HG12 VAL A 55 -3.344 0.435 -1.357 1.00 43.43 H new ATOM 0 HG13 VAL A 55 -3.709 1.573 -0.038 1.00 43.43 H new ATOM 0 HG21 VAL A 55 -5.327 3.556 -1.834 1.00 74.14 H new ATOM 0 HG22 VAL A 55 -4.108 4.110 -0.661 1.00 74.14 H new ATOM 0 HG23 VAL A 55 -3.974 4.579 -2.372 1.00 74.14 H new ATOM 881 N VAL A 56 -0.206 1.022 -1.286 1.00 1.04 N ATOM 882 CA VAL A 56 0.629 -0.174 -1.536 1.00 74.05 C ATOM 883 C VAL A 56 -0.005 -1.443 -0.931 1.00 34.35 C ATOM 884 O VAL A 56 -0.068 -1.590 0.288 1.00 32.23 O ATOM 885 CB VAL A 56 2.078 0.023 -0.942 1.00 64.33 C ATOM 886 CG1 VAL A 56 2.950 -1.254 -1.075 1.00 44.24 C ATOM 887 CG2 VAL A 56 2.775 1.224 -1.608 1.00 10.42 C ATOM 0 H VAL A 56 -0.077 1.423 -0.357 1.00 1.04 H new ATOM 0 HA VAL A 56 0.695 -0.301 -2.617 1.00 74.05 H new ATOM 0 HB VAL A 56 1.963 0.223 0.123 1.00 64.33 H new ATOM 0 HG11 VAL A 56 3.937 -1.066 -0.652 1.00 44.24 H new ATOM 0 HG12 VAL A 56 2.476 -2.076 -0.539 1.00 44.24 H new ATOM 0 HG13 VAL A 56 3.051 -1.518 -2.128 1.00 44.24 H new ATOM 0 HG21 VAL A 56 3.773 1.345 -1.186 1.00 10.42 H new ATOM 0 HG22 VAL A 56 2.853 1.050 -2.681 1.00 10.42 H new ATOM 0 HG23 VAL A 56 2.193 2.128 -1.428 1.00 10.42 H new ATOM 897 N PHE A 57 -0.473 -2.342 -1.806 1.00 11.35 N ATOM 898 CA PHE A 57 -0.880 -3.704 -1.429 1.00 53.12 C ATOM 899 C PHE A 57 0.347 -4.637 -1.479 1.00 62.13 C ATOM 900 O PHE A 57 0.887 -4.902 -2.561 1.00 44.10 O ATOM 901 CB PHE A 57 -1.969 -4.226 -2.397 1.00 71.45 C ATOM 902 CG PHE A 57 -3.328 -3.524 -2.308 1.00 24.32 C ATOM 903 CD1 PHE A 57 -3.517 -2.240 -2.816 1.00 72.14 C ATOM 904 CD2 PHE A 57 -4.431 -4.172 -1.744 1.00 30.32 C ATOM 905 CE1 PHE A 57 -4.751 -1.625 -2.752 1.00 53.14 C ATOM 906 CE2 PHE A 57 -5.659 -3.553 -1.677 1.00 11.14 C ATOM 907 CZ PHE A 57 -5.821 -2.283 -2.185 1.00 61.41 C ATOM 0 H PHE A 57 -0.581 -2.145 -2.801 1.00 11.35 H new ATOM 0 HA PHE A 57 -1.288 -3.686 -0.418 1.00 53.12 H new ATOM 0 HB2 PHE A 57 -1.598 -4.131 -3.417 1.00 71.45 H new ATOM 0 HB3 PHE A 57 -2.117 -5.289 -2.209 1.00 71.45 H new ATOM 0 HD1 PHE A 57 -2.685 -1.718 -3.266 1.00 72.14 H new ATOM 0 HD2 PHE A 57 -4.318 -5.173 -1.355 1.00 30.32 H new ATOM 0 HE1 PHE A 57 -4.878 -0.628 -3.146 1.00 53.14 H new ATOM 0 HE2 PHE A 57 -6.496 -4.064 -1.225 1.00 11.14 H new ATOM 0 HZ PHE A 57 -6.787 -1.803 -2.139 1.00 61.41 H new ATOM 917 N VAL A 58 0.799 -5.110 -0.309 1.00 1.20 N ATOM 918 CA VAL A 58 1.900 -6.083 -0.217 1.00 12.12 C ATOM 919 C VAL A 58 1.332 -7.517 -0.353 1.00 30.31 C ATOM 920 O VAL A 58 0.558 -7.985 0.493 1.00 63.55 O ATOM 921 CB VAL A 58 2.742 -5.906 1.118 1.00 31.15 C ATOM 922 CG1 VAL A 58 3.430 -4.523 1.169 1.00 25.21 C ATOM 923 CG2 VAL A 58 1.903 -6.122 2.389 1.00 1.23 C ATOM 0 H VAL A 58 0.416 -4.832 0.595 1.00 1.20 H new ATOM 0 HA VAL A 58 2.594 -5.900 -1.037 1.00 12.12 H new ATOM 0 HB VAL A 58 3.505 -6.684 1.095 1.00 31.15 H new ATOM 0 HG11 VAL A 58 3.998 -4.433 2.095 1.00 25.21 H new ATOM 0 HG12 VAL A 58 4.104 -4.420 0.318 1.00 25.21 H new ATOM 0 HG13 VAL A 58 2.674 -3.739 1.130 1.00 25.21 H new ATOM 0 HG21 VAL A 58 2.533 -5.988 3.268 1.00 1.23 H new ATOM 0 HG22 VAL A 58 1.087 -5.400 2.414 1.00 1.23 H new ATOM 0 HG23 VAL A 58 1.493 -7.132 2.387 1.00 1.23 H new ATOM 933 N ASN A 59 1.679 -8.191 -1.465 1.00 1.21 N ATOM 934 CA ASN A 59 1.232 -9.579 -1.737 1.00 55.00 C ATOM 935 C ASN A 59 2.013 -10.583 -0.880 1.00 13.45 C ATOM 936 O ASN A 59 3.040 -11.112 -1.316 1.00 24.13 O ATOM 937 CB ASN A 59 1.352 -9.942 -3.255 1.00 52.25 C ATOM 938 CG ASN A 59 0.202 -9.414 -4.109 1.00 44.33 C ATOM 939 OD1 ASN A 59 -0.910 -9.231 -3.630 1.00 45.43 O ATOM 940 ND2 ASN A 59 0.435 -9.248 -5.393 1.00 75.13 N ATOM 0 H ASN A 59 2.271 -7.798 -2.197 1.00 1.21 H new ATOM 0 HA ASN A 59 0.178 -9.638 -1.467 1.00 55.00 H new ATOM 0 HB2 ASN A 59 2.291 -9.544 -3.641 1.00 52.25 H new ATOM 0 HB3 ASN A 59 1.399 -11.026 -3.357 1.00 52.25 H new ATOM 0 HD21 ASN A 59 -0.320 -8.960 -6.015 1.00 75.13 H new ATOM 0 HD22 ASN A 59 1.371 -9.407 -5.766 1.00 75.13 H new ATOM 947 N GLY A 60 1.524 -10.797 0.362 1.00 4.33 N ATOM 948 CA GLY A 60 2.122 -11.754 1.298 1.00 34.31 C ATOM 949 C GLY A 60 3.599 -11.485 1.573 1.00 44.15 C ATOM 950 O GLY A 60 4.391 -12.422 1.737 1.00 73.43 O ATOM 0 H GLY A 60 0.709 -10.311 0.735 1.00 4.33 H new ATOM 0 HA2 GLY A 60 1.573 -11.723 2.239 1.00 34.31 H new ATOM 0 HA3 GLY A 60 2.012 -12.762 0.897 1.00 34.31 H new ATOM 954 N ALA A 61 3.964 -10.193 1.584 1.00 23.13 N ATOM 955 CA ALA A 61 5.352 -9.748 1.773 1.00 61.41 C ATOM 956 C ALA A 61 5.772 -9.924 3.241 1.00 45.03 C ATOM 957 O ALA A 61 4.937 -9.802 4.146 1.00 1.03 O ATOM 958 CB ALA A 61 5.512 -8.294 1.309 1.00 54.13 C ATOM 0 H ALA A 61 3.302 -9.426 1.462 1.00 23.13 H new ATOM 0 HA ALA A 61 6.012 -10.365 1.163 1.00 61.41 H new ATOM 0 HB1 ALA A 61 6.545 -7.977 1.455 1.00 54.13 H new ATOM 0 HB2 ALA A 61 5.255 -8.219 0.252 1.00 54.13 H new ATOM 0 HB3 ALA A 61 4.850 -7.652 1.890 1.00 54.13 H new ATOM 964 N SER A 62 7.063 -10.199 3.465 1.00 52.32 N ATOM 965 CA SER A 62 7.592 -10.528 4.803 1.00 24.32 C ATOM 966 C SER A 62 7.634 -9.266 5.685 1.00 15.43 C ATOM 967 O SER A 62 7.524 -8.138 5.181 1.00 2.13 O ATOM 968 CB SER A 62 9.004 -11.158 4.663 1.00 11.21 C ATOM 969 OG SER A 62 9.550 -11.542 5.918 1.00 52.31 O ATOM 0 H SER A 62 7.771 -10.201 2.730 1.00 52.32 H new ATOM 0 HA SER A 62 6.935 -11.252 5.285 1.00 24.32 H new ATOM 0 HB2 SER A 62 8.947 -12.030 4.012 1.00 11.21 H new ATOM 0 HB3 SER A 62 9.672 -10.444 4.182 1.00 11.21 H new ATOM 0 HG SER A 62 10.438 -11.935 5.782 1.00 52.31 H new ATOM 975 N GLN A 63 7.813 -9.477 7.006 1.00 31.04 N ATOM 976 CA GLN A 63 7.971 -8.394 7.994 1.00 2.32 C ATOM 977 C GLN A 63 9.191 -7.517 7.639 1.00 3.14 C ATOM 978 O GLN A 63 9.200 -6.327 7.937 1.00 14.33 O ATOM 979 CB GLN A 63 8.103 -8.983 9.430 1.00 43.10 C ATOM 980 CG GLN A 63 8.186 -7.942 10.579 1.00 21.14 C ATOM 981 CD GLN A 63 6.985 -6.988 10.646 1.00 51.14 C ATOM 982 OE1 GLN A 63 5.970 -7.285 11.273 1.00 70.52 O ATOM 983 NE2 GLN A 63 7.094 -5.828 10.015 1.00 71.12 N ATOM 0 H GLN A 63 7.852 -10.410 7.417 1.00 31.04 H new ATOM 0 HA GLN A 63 7.082 -7.764 7.969 1.00 2.32 H new ATOM 0 HB2 GLN A 63 7.249 -9.635 9.616 1.00 43.10 H new ATOM 0 HB3 GLN A 63 8.995 -9.608 9.466 1.00 43.10 H new ATOM 0 HG2 GLN A 63 8.270 -8.470 11.529 1.00 21.14 H new ATOM 0 HG3 GLN A 63 9.097 -7.355 10.459 1.00 21.14 H new ATOM 0 HE21 GLN A 63 7.947 -5.605 9.502 1.00 71.12 H new ATOM 0 HE22 GLN A 63 6.325 -5.158 10.043 1.00 71.12 H new ATOM 992 N ASN A 64 10.186 -8.127 6.960 1.00 71.12 N ATOM 993 CA ASN A 64 11.377 -7.428 6.438 1.00 32.25 C ATOM 994 C ASN A 64 10.968 -6.331 5.449 1.00 54.43 C ATOM 995 O ASN A 64 11.408 -5.199 5.572 1.00 3.22 O ATOM 996 CB ASN A 64 12.335 -8.423 5.729 1.00 75.35 C ATOM 997 CG ASN A 64 12.868 -9.531 6.633 1.00 52.41 C ATOM 998 OD1 ASN A 64 12.217 -9.959 7.587 1.00 32.42 O ATOM 999 ND2 ASN A 64 14.056 -10.021 6.333 1.00 63.14 N ATOM 0 H ASN A 64 10.184 -9.127 6.758 1.00 71.12 H new ATOM 0 HA ASN A 64 11.894 -6.977 7.285 1.00 32.25 H new ATOM 0 HB2 ASN A 64 11.812 -8.877 4.887 1.00 75.35 H new ATOM 0 HB3 ASN A 64 13.178 -7.868 5.318 1.00 75.35 H new ATOM 0 HD21 ASN A 64 14.455 -10.772 6.897 1.00 63.14 H new ATOM 0 HD22 ASN A 64 14.575 -9.649 5.538 1.00 63.14 H new ATOM 1006 N ASP A 65 10.086 -6.700 4.494 1.00 74.13 N ATOM 1007 CA ASP A 65 9.554 -5.790 3.451 1.00 71.12 C ATOM 1008 C ASP A 65 8.803 -4.614 4.094 1.00 62.24 C ATOM 1009 O ASP A 65 8.898 -3.469 3.641 1.00 44.04 O ATOM 1010 CB ASP A 65 8.567 -6.535 2.509 1.00 70.33 C ATOM 1011 CG ASP A 65 9.138 -7.789 1.818 1.00 3.31 C ATOM 1012 OD1 ASP A 65 9.614 -8.698 2.517 1.00 40.02 O ATOM 1013 OD2 ASP A 65 9.078 -7.889 0.586 1.00 53.24 O ATOM 0 H ASP A 65 9.718 -7.649 4.423 1.00 74.13 H new ATOM 0 HA ASP A 65 10.406 -5.425 2.877 1.00 71.12 H new ATOM 0 HB2 ASP A 65 7.689 -6.826 3.086 1.00 70.33 H new ATOM 0 HB3 ASP A 65 8.228 -5.840 1.741 1.00 70.33 H new ATOM 1018 N VAL A 66 8.057 -4.942 5.164 1.00 62.23 N ATOM 1019 CA VAL A 66 7.280 -3.972 5.946 1.00 74.11 C ATOM 1020 C VAL A 66 8.218 -3.016 6.720 1.00 50.54 C ATOM 1021 O VAL A 66 7.934 -1.825 6.830 1.00 11.05 O ATOM 1022 CB VAL A 66 6.301 -4.710 6.935 1.00 44.41 C ATOM 1023 CG1 VAL A 66 5.434 -3.709 7.735 1.00 45.32 C ATOM 1024 CG2 VAL A 66 5.417 -5.733 6.172 1.00 11.42 C ATOM 0 H VAL A 66 7.978 -5.898 5.511 1.00 62.23 H new ATOM 0 HA VAL A 66 6.683 -3.378 5.254 1.00 74.11 H new ATOM 0 HB VAL A 66 6.909 -5.256 7.656 1.00 44.41 H new ATOM 0 HG11 VAL A 66 4.772 -4.256 8.406 1.00 45.32 H new ATOM 0 HG12 VAL A 66 6.080 -3.053 8.318 1.00 45.32 H new ATOM 0 HG13 VAL A 66 4.838 -3.111 7.045 1.00 45.32 H new ATOM 0 HG21 VAL A 66 4.749 -6.231 6.874 1.00 11.42 H new ATOM 0 HG22 VAL A 66 4.828 -5.213 5.417 1.00 11.42 H new ATOM 0 HG23 VAL A 66 6.053 -6.474 5.689 1.00 11.42 H new ATOM 1034 N ASN A 67 9.357 -3.549 7.211 1.00 43.12 N ATOM 1035 CA ASN A 67 10.386 -2.750 7.925 1.00 41.30 C ATOM 1036 C ASN A 67 11.081 -1.793 6.940 1.00 50.52 C ATOM 1037 O ASN A 67 11.288 -0.623 7.254 1.00 43.43 O ATOM 1038 CB ASN A 67 11.442 -3.662 8.627 1.00 62.21 C ATOM 1039 CG ASN A 67 10.855 -4.545 9.734 1.00 33.33 C ATOM 1040 OD1 ASN A 67 9.864 -4.199 10.374 1.00 31.14 O ATOM 1041 ND2 ASN A 67 11.463 -5.695 9.974 1.00 42.11 N ATOM 0 H ASN A 67 9.592 -4.538 7.127 1.00 43.12 H new ATOM 0 HA ASN A 67 9.883 -2.172 8.701 1.00 41.30 H new ATOM 0 HB2 ASN A 67 11.914 -4.299 7.879 1.00 62.21 H new ATOM 0 HB3 ASN A 67 12.226 -3.035 9.052 1.00 62.21 H new ATOM 0 HD21 ASN A 67 11.111 -6.316 10.703 1.00 42.11 H new ATOM 0 HD22 ASN A 67 12.284 -5.961 9.430 1.00 42.11 H new ATOM 1048 N GLU A 68 11.380 -2.309 5.729 1.00 24.44 N ATOM 1049 CA GLU A 68 11.959 -1.526 4.618 1.00 12.42 C ATOM 1050 C GLU A 68 11.048 -0.340 4.284 1.00 12.11 C ATOM 1051 O GLU A 68 11.513 0.776 4.111 1.00 14.21 O ATOM 1052 CB GLU A 68 12.135 -2.432 3.361 1.00 13.33 C ATOM 1053 CG GLU A 68 13.174 -3.561 3.515 1.00 23.21 C ATOM 1054 CD GLU A 68 14.622 -3.073 3.372 1.00 55.03 C ATOM 1055 OE1 GLU A 68 15.222 -2.606 4.367 1.00 24.43 O ATOM 1056 OE2 GLU A 68 15.164 -3.129 2.247 1.00 15.23 O ATOM 0 H GLU A 68 11.225 -3.289 5.494 1.00 24.44 H new ATOM 0 HA GLU A 68 12.936 -1.149 4.922 1.00 12.42 H new ATOM 0 HB2 GLU A 68 11.171 -2.876 3.114 1.00 13.33 H new ATOM 0 HB3 GLU A 68 12.423 -1.805 2.517 1.00 13.33 H new ATOM 0 HG2 GLU A 68 13.050 -4.030 4.491 1.00 23.21 H new ATOM 0 HG3 GLU A 68 12.980 -4.329 2.766 1.00 23.21 H new ATOM 1063 N PHE A 69 9.735 -0.618 4.265 1.00 3.43 N ATOM 1064 CA PHE A 69 8.705 0.370 3.946 1.00 11.44 C ATOM 1065 C PHE A 69 8.688 1.503 4.985 1.00 2.22 C ATOM 1066 O PHE A 69 8.839 2.680 4.639 1.00 30.05 O ATOM 1067 CB PHE A 69 7.318 -0.317 3.855 1.00 42.44 C ATOM 1068 CG PHE A 69 6.254 0.551 3.198 1.00 4.20 C ATOM 1069 CD1 PHE A 69 6.146 0.596 1.807 1.00 74.21 C ATOM 1070 CD2 PHE A 69 5.372 1.328 3.953 1.00 4.10 C ATOM 1071 CE1 PHE A 69 5.197 1.375 1.195 1.00 51.42 C ATOM 1072 CE2 PHE A 69 4.423 2.109 3.334 1.00 60.11 C ATOM 1073 CZ PHE A 69 4.337 2.125 1.957 1.00 51.14 C ATOM 0 H PHE A 69 9.360 -1.544 4.473 1.00 3.43 H new ATOM 0 HA PHE A 69 8.938 0.813 2.978 1.00 11.44 H new ATOM 0 HB2 PHE A 69 7.417 -1.245 3.292 1.00 42.44 H new ATOM 0 HB3 PHE A 69 6.988 -0.586 4.858 1.00 42.44 H new ATOM 0 HD1 PHE A 69 6.821 0.008 1.203 1.00 74.21 H new ATOM 0 HD2 PHE A 69 5.435 1.316 5.031 1.00 4.10 H new ATOM 0 HE1 PHE A 69 5.127 1.398 0.118 1.00 51.42 H new ATOM 0 HE2 PHE A 69 3.747 2.708 3.925 1.00 60.11 H new ATOM 0 HZ PHE A 69 3.586 2.733 1.475 1.00 51.14 H new ATOM 1083 N GLN A 70 8.559 1.106 6.261 1.00 60.35 N ATOM 1084 CA GLN A 70 8.388 2.031 7.383 1.00 42.40 C ATOM 1085 C GLN A 70 9.626 2.924 7.585 1.00 15.33 C ATOM 1086 O GLN A 70 9.493 4.151 7.626 1.00 22.14 O ATOM 1087 CB GLN A 70 8.049 1.235 8.666 1.00 32.34 C ATOM 1088 CG GLN A 70 6.718 0.466 8.571 1.00 65.23 C ATOM 1089 CD GLN A 70 6.402 -0.337 9.822 1.00 3.20 C ATOM 1090 OE1 GLN A 70 5.743 0.152 10.738 1.00 64.30 O ATOM 1091 NE2 GLN A 70 6.898 -1.567 9.883 1.00 54.41 N ATOM 0 H GLN A 70 8.571 0.125 6.541 1.00 60.35 H new ATOM 0 HA GLN A 70 7.559 2.700 7.154 1.00 42.40 H new ATOM 0 HB2 GLN A 70 8.854 0.530 8.871 1.00 32.34 H new ATOM 0 HB3 GLN A 70 8.004 1.922 9.511 1.00 32.34 H new ATOM 0 HG2 GLN A 70 5.909 1.173 8.387 1.00 65.23 H new ATOM 0 HG3 GLN A 70 6.755 -0.207 7.714 1.00 65.23 H new ATOM 0 HE21 GLN A 70 7.440 -1.938 9.102 1.00 54.41 H new ATOM 0 HE22 GLN A 70 6.737 -2.141 10.710 1.00 54.41 H new ATOM 1100 N ASN A 71 10.825 2.301 7.646 1.00 64.31 N ATOM 1101 CA ASN A 71 12.101 3.014 7.882 1.00 44.21 C ATOM 1102 C ASN A 71 12.448 3.955 6.723 1.00 40.21 C ATOM 1103 O ASN A 71 12.710 5.148 6.950 1.00 3.21 O ATOM 1104 CB ASN A 71 13.276 2.027 8.154 1.00 22.32 C ATOM 1105 CG ASN A 71 13.189 1.391 9.547 1.00 74.23 C ATOM 1106 OD1 ASN A 71 13.610 1.984 10.541 1.00 52.13 O ATOM 1107 ND2 ASN A 71 12.677 0.187 9.637 1.00 21.04 N ATOM 0 H ASN A 71 10.935 1.293 7.533 1.00 64.31 H new ATOM 0 HA ASN A 71 11.958 3.619 8.777 1.00 44.21 H new ATOM 0 HB2 ASN A 71 13.271 1.242 7.397 1.00 22.32 H new ATOM 0 HB3 ASN A 71 14.223 2.557 8.057 1.00 22.32 H new ATOM 0 HD21 ASN A 71 12.621 -0.277 10.544 1.00 21.04 H new ATOM 0 HD22 ASN A 71 12.334 -0.285 8.800 1.00 21.04 H new ATOM 1114 N GLU A 72 12.408 3.428 5.482 1.00 40.12 N ATOM 1115 CA GLU A 72 12.802 4.204 4.294 1.00 43.41 C ATOM 1116 C GLU A 72 11.812 5.345 3.979 1.00 4.11 C ATOM 1117 O GLU A 72 12.190 6.320 3.311 1.00 41.33 O ATOM 1118 CB GLU A 72 13.029 3.295 3.065 1.00 64.33 C ATOM 1119 CG GLU A 72 14.162 2.260 3.242 1.00 71.24 C ATOM 1120 CD GLU A 72 15.513 2.873 3.686 1.00 33.53 C ATOM 1121 OE1 GLU A 72 16.178 3.535 2.858 1.00 52.12 O ATOM 1122 OE2 GLU A 72 15.916 2.703 4.856 1.00 43.10 O ATOM 0 H GLU A 72 12.108 2.474 5.280 1.00 40.12 H new ATOM 0 HA GLU A 72 13.755 4.674 4.535 1.00 43.41 H new ATOM 0 HB2 GLU A 72 12.102 2.767 2.842 1.00 64.33 H new ATOM 0 HB3 GLU A 72 13.256 3.921 2.202 1.00 64.33 H new ATOM 0 HG2 GLU A 72 13.851 1.519 3.979 1.00 71.24 H new ATOM 0 HG3 GLU A 72 14.307 1.731 2.300 1.00 71.24 H new ATOM 1129 N ALA A 73 10.560 5.224 4.459 1.00 34.02 N ATOM 1130 CA ALA A 73 9.565 6.306 4.361 1.00 2.32 C ATOM 1131 C ALA A 73 9.829 7.408 5.423 1.00 2.54 C ATOM 1132 O ALA A 73 9.973 8.588 5.072 1.00 72.23 O ATOM 1133 CB ALA A 73 8.145 5.730 4.489 1.00 22.40 C ATOM 0 H ALA A 73 10.213 4.383 4.921 1.00 34.02 H new ATOM 0 HA ALA A 73 9.657 6.775 3.382 1.00 2.32 H new ATOM 0 HB1 ALA A 73 7.417 6.538 4.415 1.00 22.40 H new ATOM 0 HB2 ALA A 73 7.971 5.010 3.689 1.00 22.40 H new ATOM 0 HB3 ALA A 73 8.039 5.233 5.453 1.00 22.40 H new ATOM 1139 N LYS A 74 9.950 7.003 6.715 1.00 43.34 N ATOM 1140 CA LYS A 74 10.016 7.954 7.864 1.00 25.30 C ATOM 1141 C LYS A 74 11.294 8.807 7.843 1.00 74.43 C ATOM 1142 O LYS A 74 11.269 9.979 8.244 1.00 63.21 O ATOM 1143 CB LYS A 74 9.831 7.218 9.245 1.00 4.43 C ATOM 1144 CG LYS A 74 10.873 6.129 9.640 1.00 43.11 C ATOM 1145 CD LYS A 74 12.129 6.682 10.355 1.00 53.22 C ATOM 1146 CE LYS A 74 13.154 5.587 10.683 1.00 45.22 C ATOM 1147 NZ LYS A 74 12.615 4.543 11.605 1.00 72.32 N ATOM 0 H LYS A 74 10.004 6.022 6.990 1.00 43.34 H new ATOM 0 HA LYS A 74 9.178 8.641 7.747 1.00 25.30 H new ATOM 0 HB2 LYS A 74 9.826 7.975 10.029 1.00 4.43 H new ATOM 0 HB3 LYS A 74 8.845 6.753 9.246 1.00 4.43 H new ATOM 0 HG2 LYS A 74 10.390 5.399 10.290 1.00 43.11 H new ATOM 0 HG3 LYS A 74 11.185 5.598 8.741 1.00 43.11 H new ATOM 0 HD2 LYS A 74 12.599 7.436 9.724 1.00 53.22 H new ATOM 0 HD3 LYS A 74 11.828 7.180 11.277 1.00 53.22 H new ATOM 0 HE2 LYS A 74 13.481 5.113 9.757 1.00 45.22 H new ATOM 0 HE3 LYS A 74 14.034 6.044 11.135 1.00 45.22 H new ATOM 0 HZ1 LYS A 74 13.037 4.661 12.548 1.00 72.32 H new ATOM 0 HZ2 LYS A 74 11.582 4.640 11.674 1.00 72.32 H new ATOM 0 HZ3 LYS A 74 12.850 3.599 11.236 1.00 72.32 H new ATOM 1161 N LYS A 75 12.397 8.225 7.340 1.00 11.53 N ATOM 1162 CA LYS A 75 13.706 8.909 7.302 1.00 4.03 C ATOM 1163 C LYS A 75 13.667 10.112 6.339 1.00 1.22 C ATOM 1164 O LYS A 75 14.390 11.087 6.527 1.00 2.45 O ATOM 1165 CB LYS A 75 14.822 7.899 6.919 1.00 0.12 C ATOM 1166 CG LYS A 75 14.801 7.438 5.447 1.00 45.34 C ATOM 1167 CD LYS A 75 15.652 6.182 5.164 1.00 24.33 C ATOM 1168 CE LYS A 75 17.142 6.303 5.493 1.00 14.21 C ATOM 1169 NZ LYS A 75 17.866 5.058 5.103 1.00 11.51 N ATOM 0 H LYS A 75 12.410 7.281 6.953 1.00 11.53 H new ATOM 0 HA LYS A 75 13.932 9.300 8.294 1.00 4.03 H new ATOM 0 HB2 LYS A 75 15.791 8.353 7.129 1.00 0.12 H new ATOM 0 HB3 LYS A 75 14.735 7.022 7.561 1.00 0.12 H new ATOM 0 HG2 LYS A 75 13.770 7.237 5.156 1.00 45.34 H new ATOM 0 HG3 LYS A 75 15.157 8.254 4.818 1.00 45.34 H new ATOM 0 HD2 LYS A 75 15.239 5.350 5.734 1.00 24.33 H new ATOM 0 HD3 LYS A 75 15.551 5.927 4.109 1.00 24.33 H new ATOM 0 HE2 LYS A 75 17.568 7.158 4.968 1.00 14.21 H new ATOM 0 HE3 LYS A 75 17.271 6.487 6.560 1.00 14.21 H new ATOM 0 HZ1 LYS A 75 18.628 4.871 5.786 1.00 11.51 H new ATOM 0 HZ2 LYS A 75 17.202 4.258 5.098 1.00 11.51 H new ATOM 0 HZ3 LYS A 75 18.273 5.176 4.153 1.00 11.51 H new ATOM 1183 N GLU A 76 12.781 10.032 5.329 1.00 54.55 N ATOM 1184 CA GLU A 76 12.588 11.086 4.319 1.00 72.43 C ATOM 1185 C GLU A 76 11.443 12.039 4.711 1.00 51.34 C ATOM 1186 O GLU A 76 11.365 13.168 4.215 1.00 41.23 O ATOM 1187 CB GLU A 76 12.285 10.422 2.956 1.00 33.43 C ATOM 1188 CG GLU A 76 13.360 9.429 2.478 1.00 63.03 C ATOM 1189 CD GLU A 76 14.730 10.082 2.207 1.00 73.03 C ATOM 1190 OE1 GLU A 76 15.561 10.191 3.139 1.00 73.02 O ATOM 1191 OE2 GLU A 76 14.981 10.491 1.051 1.00 63.34 O ATOM 0 H GLU A 76 12.173 9.225 5.191 1.00 54.55 H new ATOM 0 HA GLU A 76 13.500 11.680 4.253 1.00 72.43 H new ATOM 0 HB2 GLU A 76 11.331 9.900 3.024 1.00 33.43 H new ATOM 0 HB3 GLU A 76 12.168 11.202 2.204 1.00 33.43 H new ATOM 0 HG2 GLU A 76 13.481 8.649 3.230 1.00 63.03 H new ATOM 0 HG3 GLU A 76 13.013 8.942 1.567 1.00 63.03 H new ATOM 1198 N GLY A 77 10.568 11.577 5.619 1.00 14.45 N ATOM 1199 CA GLY A 77 9.358 12.313 5.991 1.00 74.31 C ATOM 1200 C GLY A 77 8.166 11.969 5.113 1.00 40.55 C ATOM 1201 O GLY A 77 7.175 12.707 5.090 1.00 54.13 O ATOM 0 H GLY A 77 10.681 10.690 6.110 1.00 14.45 H new ATOM 0 HA2 GLY A 77 9.112 12.097 7.031 1.00 74.31 H new ATOM 0 HA3 GLY A 77 9.555 13.383 5.926 1.00 74.31 H new ATOM 1205 N VAL A 78 8.271 10.852 4.362 1.00 34.11 N ATOM 1206 CA VAL A 78 7.142 10.268 3.630 1.00 10.01 C ATOM 1207 C VAL A 78 6.171 9.676 4.668 1.00 23.21 C ATOM 1208 O VAL A 78 6.426 8.604 5.238 1.00 34.33 O ATOM 1209 CB VAL A 78 7.614 9.161 2.605 1.00 53.35 C ATOM 1210 CG1 VAL A 78 6.419 8.528 1.851 1.00 33.13 C ATOM 1211 CG2 VAL A 78 8.666 9.728 1.616 1.00 23.35 C ATOM 0 H VAL A 78 9.143 10.335 4.250 1.00 34.11 H new ATOM 0 HA VAL A 78 6.650 11.041 3.040 1.00 10.01 H new ATOM 0 HB VAL A 78 8.088 8.366 3.181 1.00 53.35 H new ATOM 0 HG11 VAL A 78 6.786 7.772 1.156 1.00 33.13 H new ATOM 0 HG12 VAL A 78 5.741 8.064 2.568 1.00 33.13 H new ATOM 0 HG13 VAL A 78 5.887 9.302 1.297 1.00 33.13 H new ATOM 0 HG21 VAL A 78 8.973 8.945 0.923 1.00 23.35 H new ATOM 0 HG22 VAL A 78 8.231 10.557 1.058 1.00 23.35 H new ATOM 0 HG23 VAL A 78 9.535 10.081 2.172 1.00 23.35 H new ATOM 1221 N SER A 79 5.101 10.439 4.953 1.00 52.24 N ATOM 1222 CA SER A 79 4.104 10.093 5.961 1.00 54.44 C ATOM 1223 C SER A 79 3.288 8.867 5.513 1.00 74.54 C ATOM 1224 O SER A 79 2.273 8.977 4.833 1.00 13.55 O ATOM 1225 CB SER A 79 3.207 11.330 6.220 1.00 50.13 C ATOM 1226 OG SER A 79 2.689 11.883 5.011 1.00 23.13 O ATOM 0 H SER A 79 4.909 11.322 4.480 1.00 52.24 H new ATOM 0 HA SER A 79 4.593 9.819 6.896 1.00 54.44 H new ATOM 0 HB2 SER A 79 2.380 11.047 6.872 1.00 50.13 H new ATOM 0 HB3 SER A 79 3.783 12.090 6.748 1.00 50.13 H new ATOM 0 HG SER A 79 3.078 11.414 4.244 1.00 23.13 H new ATOM 1232 N TYR A 80 3.784 7.693 5.881 1.00 62.35 N ATOM 1233 CA TYR A 80 3.139 6.418 5.558 1.00 63.20 C ATOM 1234 C TYR A 80 2.077 6.093 6.615 1.00 24.41 C ATOM 1235 O TYR A 80 2.128 6.596 7.746 1.00 0.02 O ATOM 1236 CB TYR A 80 4.194 5.282 5.476 1.00 25.51 C ATOM 1237 CG TYR A 80 4.876 4.964 6.814 1.00 53.14 C ATOM 1238 CD1 TYR A 80 5.927 5.743 7.298 1.00 2.33 C ATOM 1239 CD2 TYR A 80 4.444 3.896 7.603 1.00 4.23 C ATOM 1240 CE1 TYR A 80 6.516 5.469 8.506 1.00 75.23 C ATOM 1241 CE2 TYR A 80 5.031 3.627 8.813 1.00 54.14 C ATOM 1242 CZ TYR A 80 6.066 4.411 9.258 1.00 31.05 C ATOM 1243 OH TYR A 80 6.660 4.129 10.464 1.00 53.32 O ATOM 0 H TYR A 80 4.648 7.593 6.414 1.00 62.35 H new ATOM 0 HA TYR A 80 2.654 6.501 4.585 1.00 63.20 H new ATOM 0 HB2 TYR A 80 3.712 4.379 5.102 1.00 25.51 H new ATOM 0 HB3 TYR A 80 4.957 5.560 4.749 1.00 25.51 H new ATOM 0 HD1 TYR A 80 6.283 6.577 6.711 1.00 2.33 H new ATOM 0 HD2 TYR A 80 3.634 3.272 7.255 1.00 4.23 H new ATOM 0 HE1 TYR A 80 7.330 6.082 8.864 1.00 75.23 H new ATOM 0 HE2 TYR A 80 4.680 2.801 9.414 1.00 54.14 H new ATOM 0 HH TYR A 80 6.223 3.351 10.870 1.00 53.32 H new ATOM 1253 N ASP A 81 1.139 5.238 6.238 1.00 75.34 N ATOM 1254 CA ASP A 81 0.104 4.693 7.128 1.00 21.22 C ATOM 1255 C ASP A 81 0.197 3.170 7.025 1.00 34.32 C ATOM 1256 O ASP A 81 0.519 2.665 5.956 1.00 44.11 O ATOM 1257 CB ASP A 81 -1.304 5.204 6.695 1.00 33.23 C ATOM 1258 CG ASP A 81 -2.412 4.853 7.709 1.00 51.34 C ATOM 1259 OD1 ASP A 81 -2.971 3.739 7.648 1.00 73.43 O ATOM 1260 OD2 ASP A 81 -2.731 5.696 8.582 1.00 31.31 O ATOM 0 H ASP A 81 1.067 4.890 5.282 1.00 75.34 H new ATOM 0 HA ASP A 81 0.254 5.015 8.158 1.00 21.22 H new ATOM 0 HB2 ASP A 81 -1.268 6.286 6.565 1.00 33.23 H new ATOM 0 HB3 ASP A 81 -1.558 4.775 5.726 1.00 33.23 H new ATOM 1265 N VAL A 82 -0.044 2.435 8.119 1.00 44.31 N ATOM 1266 CA VAL A 82 0.043 0.954 8.126 1.00 21.01 C ATOM 1267 C VAL A 82 -1.330 0.357 8.468 1.00 3.22 C ATOM 1268 O VAL A 82 -1.975 0.786 9.426 1.00 61.01 O ATOM 1269 CB VAL A 82 1.132 0.429 9.142 1.00 52.45 C ATOM 1270 CG1 VAL A 82 1.248 -1.113 9.115 1.00 60.32 C ATOM 1271 CG2 VAL A 82 2.508 1.077 8.873 1.00 65.02 C ATOM 0 H VAL A 82 -0.303 2.838 9.020 1.00 44.31 H new ATOM 0 HA VAL A 82 0.347 0.633 7.130 1.00 21.01 H new ATOM 0 HB VAL A 82 0.802 0.722 10.139 1.00 52.45 H new ATOM 0 HG11 VAL A 82 2.008 -1.433 9.828 1.00 60.32 H new ATOM 0 HG12 VAL A 82 0.289 -1.555 9.384 1.00 60.32 H new ATOM 0 HG13 VAL A 82 1.530 -1.439 8.114 1.00 60.32 H new ATOM 0 HG21 VAL A 82 3.236 0.695 9.589 1.00 65.02 H new ATOM 0 HG22 VAL A 82 2.833 0.835 7.861 1.00 65.02 H new ATOM 0 HG23 VAL A 82 2.428 2.159 8.979 1.00 65.02 H new ATOM 1281 N LEU A 83 -1.744 -0.648 7.690 1.00 43.13 N ATOM 1282 CA LEU A 83 -3.054 -1.297 7.807 1.00 33.33 C ATOM 1283 C LEU A 83 -2.867 -2.819 7.730 1.00 63.31 C ATOM 1284 O LEU A 83 -2.376 -3.322 6.733 1.00 72.15 O ATOM 1285 CB LEU A 83 -3.976 -0.795 6.655 1.00 24.24 C ATOM 1286 CG LEU A 83 -5.398 -1.442 6.555 1.00 5.31 C ATOM 1287 CD1 LEU A 83 -6.233 -1.211 7.835 1.00 53.44 C ATOM 1288 CD2 LEU A 83 -6.132 -0.937 5.293 1.00 53.12 C ATOM 0 H LEU A 83 -1.167 -1.041 6.947 1.00 43.13 H new ATOM 0 HA LEU A 83 -3.519 -1.048 8.761 1.00 33.33 H new ATOM 0 HB2 LEU A 83 -4.100 0.282 6.764 1.00 24.24 H new ATOM 0 HB3 LEU A 83 -3.460 -0.962 5.710 1.00 24.24 H new ATOM 0 HG LEU A 83 -5.268 -2.520 6.464 1.00 5.31 H new ATOM 0 HD11 LEU A 83 -7.212 -1.677 7.720 1.00 53.44 H new ATOM 0 HD12 LEU A 83 -5.719 -1.652 8.689 1.00 53.44 H new ATOM 0 HD13 LEU A 83 -6.358 -0.141 8.000 1.00 53.44 H new ATOM 0 HD21 LEU A 83 -7.119 -1.396 5.238 1.00 53.12 H new ATOM 0 HD22 LEU A 83 -6.238 0.147 5.343 1.00 53.12 H new ATOM 0 HD23 LEU A 83 -5.557 -1.205 4.406 1.00 53.12 H new ATOM 1300 N LYS A 84 -3.206 -3.543 8.807 1.00 22.33 N ATOM 1301 CA LYS A 84 -3.259 -5.022 8.800 1.00 0.41 C ATOM 1302 C LYS A 84 -4.730 -5.457 8.894 1.00 70.33 C ATOM 1303 O LYS A 84 -5.349 -5.357 9.958 1.00 1.31 O ATOM 1304 CB LYS A 84 -2.411 -5.654 9.954 1.00 51.21 C ATOM 1305 CG LYS A 84 -0.874 -5.667 9.711 1.00 0.44 C ATOM 1306 CD LYS A 84 -0.189 -4.282 9.871 1.00 24.32 C ATOM 1307 CE LYS A 84 0.180 -3.925 11.324 1.00 12.34 C ATOM 1308 NZ LYS A 84 -0.983 -3.931 12.256 1.00 33.24 N ATOM 0 H LYS A 84 -3.451 -3.127 9.706 1.00 22.33 H new ATOM 0 HA LYS A 84 -2.820 -5.384 7.870 1.00 0.41 H new ATOM 0 HB2 LYS A 84 -2.613 -5.107 10.875 1.00 51.21 H new ATOM 0 HB3 LYS A 84 -2.747 -6.679 10.112 1.00 51.21 H new ATOM 0 HG2 LYS A 84 -0.414 -6.369 10.406 1.00 0.44 H new ATOM 0 HG3 LYS A 84 -0.680 -6.041 8.706 1.00 0.44 H new ATOM 0 HD2 LYS A 84 0.716 -4.264 9.263 1.00 24.32 H new ATOM 0 HD3 LYS A 84 -0.853 -3.513 9.477 1.00 24.32 H new ATOM 0 HE2 LYS A 84 0.927 -4.633 11.684 1.00 12.34 H new ATOM 0 HE3 LYS A 84 0.642 -2.938 11.340 1.00 12.34 H new ATOM 0 HZ1 LYS A 84 -0.723 -3.446 13.138 1.00 33.24 H new ATOM 0 HZ2 LYS A 84 -1.785 -3.439 11.813 1.00 33.24 H new ATOM 0 HZ3 LYS A 84 -1.253 -4.913 12.468 1.00 33.24 H new ATOM 1322 N SER A 85 -5.274 -5.910 7.758 1.00 53.11 N ATOM 1323 CA SER A 85 -6.680 -6.350 7.634 1.00 64.43 C ATOM 1324 C SER A 85 -6.822 -7.229 6.391 1.00 43.22 C ATOM 1325 O SER A 85 -6.164 -6.984 5.384 1.00 22.41 O ATOM 1326 CB SER A 85 -7.632 -5.121 7.546 1.00 50.45 C ATOM 1327 OG SER A 85 -8.980 -5.503 7.327 1.00 23.12 O ATOM 0 H SER A 85 -4.750 -5.984 6.886 1.00 53.11 H new ATOM 0 HA SER A 85 -6.957 -6.926 8.517 1.00 64.43 H new ATOM 0 HB2 SER A 85 -7.565 -4.544 8.469 1.00 50.45 H new ATOM 0 HB3 SER A 85 -7.305 -4.467 6.737 1.00 50.45 H new ATOM 0 HG SER A 85 -9.240 -6.178 7.988 1.00 23.12 H new ATOM 1333 N THR A 86 -7.662 -8.274 6.481 1.00 33.52 N ATOM 1334 CA THR A 86 -8.007 -9.139 5.337 1.00 2.41 C ATOM 1335 C THR A 86 -9.519 -9.066 5.051 1.00 53.10 C ATOM 1336 O THR A 86 -10.070 -9.948 4.393 1.00 54.24 O ATOM 1337 CB THR A 86 -7.570 -10.620 5.610 1.00 22.32 C ATOM 1338 OG1 THR A 86 -8.069 -11.048 6.886 1.00 13.23 O ATOM 1339 CG2 THR A 86 -6.042 -10.801 5.581 1.00 22.41 C ATOM 0 H THR A 86 -8.122 -8.544 7.350 1.00 33.52 H new ATOM 0 HA THR A 86 -7.468 -8.782 4.459 1.00 2.41 H new ATOM 0 HB THR A 86 -7.992 -11.228 4.810 1.00 22.32 H new ATOM 0 HG1 THR A 86 -7.795 -11.974 7.051 1.00 13.23 H new ATOM 0 HG21 THR A 86 -5.795 -11.845 5.776 1.00 22.41 H new ATOM 0 HG22 THR A 86 -5.660 -10.515 4.601 1.00 22.41 H new ATOM 0 HG23 THR A 86 -5.586 -10.172 6.346 1.00 22.41 H new ATOM 1347 N ASP A 87 -10.173 -7.995 5.542 1.00 33.14 N ATOM 1348 CA ASP A 87 -11.620 -7.777 5.342 1.00 52.32 C ATOM 1349 C ASP A 87 -11.827 -7.068 3.994 1.00 72.31 C ATOM 1350 O ASP A 87 -11.474 -5.894 3.885 1.00 50.14 O ATOM 1351 CB ASP A 87 -12.221 -6.917 6.490 1.00 73.25 C ATOM 1352 CG ASP A 87 -12.025 -7.555 7.865 1.00 31.44 C ATOM 1353 OD1 ASP A 87 -10.987 -7.307 8.505 1.00 10.51 O ATOM 1354 OD2 ASP A 87 -12.887 -8.342 8.301 1.00 11.30 O ATOM 0 H ASP A 87 -9.717 -7.261 6.085 1.00 33.14 H new ATOM 0 HA ASP A 87 -12.130 -8.740 5.346 1.00 52.32 H new ATOM 0 HB2 ASP A 87 -11.757 -5.931 6.481 1.00 73.25 H new ATOM 0 HB3 ASP A 87 -13.286 -6.770 6.310 1.00 73.25 H new ATOM 1359 N PRO A 88 -12.398 -7.761 2.947 1.00 53.41 N ATOM 1360 CA PRO A 88 -12.570 -7.177 1.588 1.00 4.02 C ATOM 1361 C PRO A 88 -13.361 -5.857 1.605 1.00 43.41 C ATOM 1362 O PRO A 88 -12.963 -4.893 0.948 1.00 34.31 O ATOM 1363 CB PRO A 88 -13.297 -8.298 0.783 1.00 41.11 C ATOM 1364 CG PRO A 88 -13.850 -9.233 1.825 1.00 64.31 C ATOM 1365 CD PRO A 88 -12.890 -9.163 2.994 1.00 40.40 C ATOM 0 HA PRO A 88 -11.617 -6.898 1.139 1.00 4.02 H new ATOM 0 HB2 PRO A 88 -14.092 -7.885 0.162 1.00 41.11 H new ATOM 0 HB3 PRO A 88 -12.607 -8.815 0.116 1.00 41.11 H new ATOM 0 HG2 PRO A 88 -14.854 -8.934 2.125 1.00 64.31 H new ATOM 0 HG3 PRO A 88 -13.922 -10.250 1.439 1.00 64.31 H new ATOM 0 HD2 PRO A 88 -13.389 -9.383 3.938 1.00 40.40 H new ATOM 0 HD3 PRO A 88 -12.075 -9.879 2.889 1.00 40.40 H new ATOM 1373 N GLU A 89 -14.429 -5.816 2.425 1.00 10.32 N ATOM 1374 CA GLU A 89 -15.288 -4.627 2.571 1.00 21.31 C ATOM 1375 C GLU A 89 -14.493 -3.416 3.125 1.00 42.51 C ATOM 1376 O GLU A 89 -14.573 -2.298 2.574 1.00 75.00 O ATOM 1377 CB GLU A 89 -16.501 -4.958 3.486 1.00 2.12 C ATOM 1378 CG GLU A 89 -16.142 -5.402 4.925 1.00 5.32 C ATOM 1379 CD GLU A 89 -17.374 -5.655 5.806 1.00 31.32 C ATOM 1380 OE1 GLU A 89 -17.901 -4.690 6.398 1.00 61.44 O ATOM 1381 OE2 GLU A 89 -17.830 -6.813 5.893 1.00 43.35 O ATOM 0 H GLU A 89 -14.719 -6.605 3.003 1.00 10.32 H new ATOM 0 HA GLU A 89 -15.656 -4.349 1.583 1.00 21.31 H new ATOM 0 HB2 GLU A 89 -17.142 -4.078 3.544 1.00 2.12 H new ATOM 0 HB3 GLU A 89 -17.086 -5.748 3.015 1.00 2.12 H new ATOM 0 HG2 GLU A 89 -15.544 -6.312 4.879 1.00 5.32 H new ATOM 0 HG3 GLU A 89 -15.522 -4.636 5.390 1.00 5.32 H new ATOM 1388 N GLU A 90 -13.675 -3.672 4.178 1.00 20.13 N ATOM 1389 CA GLU A 90 -12.943 -2.626 4.889 1.00 12.23 C ATOM 1390 C GLU A 90 -11.843 -2.075 3.991 1.00 43.24 C ATOM 1391 O GLU A 90 -11.763 -0.885 3.793 1.00 2.45 O ATOM 1392 CB GLU A 90 -12.323 -3.135 6.211 1.00 64.11 C ATOM 1393 CG GLU A 90 -11.719 -1.988 7.061 1.00 30.23 C ATOM 1394 CD GLU A 90 -10.821 -2.444 8.217 1.00 11.30 C ATOM 1395 OE1 GLU A 90 -11.249 -3.304 9.011 1.00 42.30 O ATOM 1396 OE2 GLU A 90 -9.701 -1.908 8.362 1.00 72.30 O ATOM 0 H GLU A 90 -13.514 -4.609 4.546 1.00 20.13 H new ATOM 0 HA GLU A 90 -13.657 -1.842 5.143 1.00 12.23 H new ATOM 0 HB2 GLU A 90 -13.087 -3.651 6.793 1.00 64.11 H new ATOM 0 HB3 GLU A 90 -11.546 -3.866 5.987 1.00 64.11 H new ATOM 0 HG2 GLU A 90 -11.140 -1.336 6.406 1.00 30.23 H new ATOM 0 HG3 GLU A 90 -12.534 -1.389 7.468 1.00 30.23 H new ATOM 1403 N LEU A 91 -11.040 -2.979 3.411 1.00 61.32 N ATOM 1404 CA LEU A 91 -9.897 -2.618 2.559 1.00 43.44 C ATOM 1405 C LEU A 91 -10.346 -1.769 1.350 1.00 72.11 C ATOM 1406 O LEU A 91 -9.670 -0.802 0.991 1.00 24.32 O ATOM 1407 CB LEU A 91 -9.159 -3.894 2.091 1.00 32.41 C ATOM 1408 CG LEU A 91 -8.544 -4.792 3.209 1.00 21.11 C ATOM 1409 CD1 LEU A 91 -7.910 -6.059 2.603 1.00 20.22 C ATOM 1410 CD2 LEU A 91 -7.529 -4.005 4.054 1.00 45.44 C ATOM 0 H LEU A 91 -11.166 -3.985 3.520 1.00 61.32 H new ATOM 0 HA LEU A 91 -9.209 -2.012 3.148 1.00 43.44 H new ATOM 0 HB2 LEU A 91 -9.857 -4.499 1.513 1.00 32.41 H new ATOM 0 HB3 LEU A 91 -8.359 -3.596 1.414 1.00 32.41 H new ATOM 0 HG LEU A 91 -9.348 -5.107 3.874 1.00 21.11 H new ATOM 0 HD11 LEU A 91 -7.487 -6.671 3.400 1.00 20.22 H new ATOM 0 HD12 LEU A 91 -8.673 -6.630 2.073 1.00 20.22 H new ATOM 0 HD13 LEU A 91 -7.121 -5.774 1.907 1.00 20.22 H new ATOM 0 HD21 LEU A 91 -7.116 -4.655 4.825 1.00 45.44 H new ATOM 0 HD22 LEU A 91 -6.724 -3.645 3.414 1.00 45.44 H new ATOM 0 HD23 LEU A 91 -8.027 -3.156 4.523 1.00 45.44 H new ATOM 1422 N THR A 92 -11.515 -2.129 0.765 1.00 55.11 N ATOM 1423 CA THR A 92 -12.127 -1.384 -0.356 1.00 42.11 C ATOM 1424 C THR A 92 -12.450 0.067 0.055 1.00 20.03 C ATOM 1425 O THR A 92 -12.074 1.020 -0.654 1.00 21.25 O ATOM 1426 CB THR A 92 -13.412 -2.109 -0.899 1.00 23.52 C ATOM 1427 OG1 THR A 92 -13.061 -3.409 -1.398 1.00 5.14 O ATOM 1428 CG2 THR A 92 -14.111 -1.328 -2.031 1.00 74.42 C ATOM 0 H THR A 92 -12.056 -2.942 1.058 1.00 55.11 H new ATOM 0 HA THR A 92 -11.397 -1.355 -1.165 1.00 42.11 H new ATOM 0 HB THR A 92 -14.105 -2.180 -0.061 1.00 23.52 H new ATOM 0 HG1 THR A 92 -13.054 -4.052 -0.659 1.00 5.14 H new ATOM 0 HG21 THR A 92 -14.991 -1.879 -2.364 1.00 74.42 H new ATOM 0 HG22 THR A 92 -14.414 -0.348 -1.663 1.00 74.42 H new ATOM 0 HG23 THR A 92 -13.422 -1.205 -2.867 1.00 74.42 H new ATOM 1436 N GLN A 93 -13.104 0.234 1.226 1.00 62.23 N ATOM 1437 CA GLN A 93 -13.463 1.572 1.717 1.00 15.34 C ATOM 1438 C GLN A 93 -12.212 2.337 2.207 1.00 40.24 C ATOM 1439 O GLN A 93 -12.163 3.540 2.060 1.00 53.12 O ATOM 1440 CB GLN A 93 -14.570 1.513 2.805 1.00 50.31 C ATOM 1441 CG GLN A 93 -14.131 1.009 4.192 1.00 64.01 C ATOM 1442 CD GLN A 93 -15.243 0.971 5.252 1.00 21.03 C ATOM 1443 OE1 GLN A 93 -15.233 0.117 6.141 1.00 65.04 O ATOM 1444 NE2 GLN A 93 -16.187 1.914 5.206 1.00 3.15 N ATOM 0 H GLN A 93 -13.388 -0.532 1.837 1.00 62.23 H new ATOM 0 HA GLN A 93 -13.881 2.129 0.878 1.00 15.34 H new ATOM 0 HB2 GLN A 93 -14.991 2.512 2.920 1.00 50.31 H new ATOM 0 HB3 GLN A 93 -15.372 0.869 2.444 1.00 50.31 H new ATOM 0 HG2 GLN A 93 -13.719 0.006 4.084 1.00 64.01 H new ATOM 0 HG3 GLN A 93 -13.325 1.647 4.555 1.00 64.01 H new ATOM 0 HE21 GLN A 93 -16.176 2.611 4.461 1.00 3.15 H new ATOM 0 HE22 GLN A 93 -16.919 1.938 5.916 1.00 3.15 H new ATOM 1453 N ARG A 94 -11.186 1.616 2.715 1.00 54.01 N ATOM 1454 CA ARG A 94 -9.938 2.230 3.233 1.00 53.32 C ATOM 1455 C ARG A 94 -9.161 2.940 2.113 1.00 31.43 C ATOM 1456 O ARG A 94 -8.583 4.002 2.349 1.00 3.01 O ATOM 1457 CB ARG A 94 -9.010 1.177 3.914 1.00 50.14 C ATOM 1458 CG ARG A 94 -9.510 0.622 5.271 1.00 32.34 C ATOM 1459 CD ARG A 94 -9.613 1.687 6.370 1.00 0.44 C ATOM 1460 NE ARG A 94 -10.077 1.118 7.650 1.00 2.22 N ATOM 1461 CZ ARG A 94 -10.852 1.750 8.545 1.00 51.41 C ATOM 1462 NH1 ARG A 94 -11.281 2.999 8.330 1.00 40.32 N ATOM 1463 NH2 ARG A 94 -11.200 1.135 9.663 1.00 51.01 N ATOM 0 H ARG A 94 -11.198 0.598 2.778 1.00 54.01 H new ATOM 0 HA ARG A 94 -10.241 2.962 3.982 1.00 53.32 H new ATOM 0 HB2 ARG A 94 -8.874 0.341 3.228 1.00 50.14 H new ATOM 0 HB3 ARG A 94 -8.029 1.628 4.065 1.00 50.14 H new ATOM 0 HG2 ARG A 94 -10.489 0.164 5.128 1.00 32.34 H new ATOM 0 HG3 ARG A 94 -8.834 -0.166 5.603 1.00 32.34 H new ATOM 0 HD2 ARG A 94 -8.639 2.155 6.513 1.00 0.44 H new ATOM 0 HD3 ARG A 94 -10.300 2.471 6.052 1.00 0.44 H new ATOM 0 HE ARG A 94 -9.785 0.166 7.873 1.00 2.22 H new ATOM 0 HH11 ARG A 94 -11.020 3.488 7.474 1.00 40.32 H new ATOM 0 HH12 ARG A 94 -11.869 3.462 9.022 1.00 40.32 H new ATOM 0 HH21 ARG A 94 -10.879 0.183 9.843 1.00 51.01 H new ATOM 0 HH22 ARG A 94 -11.789 1.612 10.346 1.00 51.01 H new ATOM 1477 N VAL A 95 -9.148 2.335 0.906 1.00 33.22 N ATOM 1478 CA VAL A 95 -8.491 2.926 -0.272 1.00 2.20 C ATOM 1479 C VAL A 95 -9.132 4.284 -0.619 1.00 12.34 C ATOM 1480 O VAL A 95 -8.442 5.297 -0.649 1.00 22.31 O ATOM 1481 CB VAL A 95 -8.548 1.960 -1.519 1.00 74.00 C ATOM 1482 CG1 VAL A 95 -7.945 2.619 -2.788 1.00 1.44 C ATOM 1483 CG2 VAL A 95 -7.843 0.617 -1.217 1.00 2.43 C ATOM 0 H VAL A 95 -9.588 1.433 0.725 1.00 33.22 H new ATOM 0 HA VAL A 95 -7.442 3.080 -0.021 1.00 2.20 H new ATOM 0 HB VAL A 95 -9.600 1.759 -1.719 1.00 74.00 H new ATOM 0 HG11 VAL A 95 -8.004 1.921 -3.623 1.00 1.44 H new ATOM 0 HG12 VAL A 95 -8.505 3.522 -3.030 1.00 1.44 H new ATOM 0 HG13 VAL A 95 -6.902 2.877 -2.603 1.00 1.44 H new ATOM 0 HG21 VAL A 95 -7.898 -0.028 -2.094 1.00 2.43 H new ATOM 0 HG22 VAL A 95 -6.798 0.802 -0.968 1.00 2.43 H new ATOM 0 HG23 VAL A 95 -8.335 0.129 -0.376 1.00 2.43 H new ATOM 1493 N ARG A 96 -10.471 4.299 -0.814 1.00 54.13 N ATOM 1494 CA ARG A 96 -11.203 5.514 -1.248 1.00 61.30 C ATOM 1495 C ARG A 96 -11.229 6.595 -0.146 1.00 55.45 C ATOM 1496 O ARG A 96 -11.186 7.796 -0.449 1.00 12.23 O ATOM 1497 CB ARG A 96 -12.625 5.140 -1.763 1.00 72.44 C ATOM 1498 CG ARG A 96 -13.613 4.519 -0.737 1.00 20.52 C ATOM 1499 CD ARG A 96 -14.464 5.566 0.015 1.00 11.02 C ATOM 1500 NE ARG A 96 -15.271 6.396 -0.906 1.00 13.13 N ATOM 1501 CZ ARG A 96 -15.713 7.645 -0.661 1.00 51.32 C ATOM 1502 NH1 ARG A 96 -15.443 8.263 0.489 1.00 64.02 N ATOM 1503 NH2 ARG A 96 -16.421 8.274 -1.585 1.00 62.52 N ATOM 0 H ARG A 96 -11.068 3.483 -0.678 1.00 54.13 H new ATOM 0 HA ARG A 96 -10.663 5.958 -2.084 1.00 61.30 H new ATOM 0 HB2 ARG A 96 -13.084 6.041 -2.171 1.00 72.44 H new ATOM 0 HB3 ARG A 96 -12.511 4.438 -2.589 1.00 72.44 H new ATOM 0 HG2 ARG A 96 -14.277 3.829 -1.257 1.00 20.52 H new ATOM 0 HG3 ARG A 96 -13.049 3.933 -0.011 1.00 20.52 H new ATOM 0 HD2 ARG A 96 -15.125 5.058 0.717 1.00 11.02 H new ATOM 0 HD3 ARG A 96 -13.809 6.210 0.602 1.00 11.02 H new ATOM 0 HE ARG A 96 -15.515 5.986 -1.808 1.00 13.13 H new ATOM 0 HH11 ARG A 96 -14.891 7.790 1.205 1.00 64.02 H new ATOM 0 HH12 ARG A 96 -15.788 9.209 0.653 1.00 64.02 H new ATOM 0 HH21 ARG A 96 -16.627 7.813 -2.471 1.00 62.52 H new ATOM 0 HH22 ARG A 96 -16.761 9.220 -1.411 1.00 62.52 H new ATOM 1517 N GLU A 97 -11.267 6.152 1.131 1.00 24.42 N ATOM 1518 CA GLU A 97 -11.178 7.055 2.293 1.00 21.30 C ATOM 1519 C GLU A 97 -9.801 7.725 2.329 1.00 21.32 C ATOM 1520 O GLU A 97 -9.683 8.893 2.701 1.00 21.44 O ATOM 1521 CB GLU A 97 -11.416 6.293 3.629 1.00 3.24 C ATOM 1522 CG GLU A 97 -12.870 5.844 3.881 1.00 4.24 C ATOM 1523 CD GLU A 97 -13.857 7.011 3.991 1.00 64.31 C ATOM 1524 OE1 GLU A 97 -13.897 7.668 5.047 1.00 63.23 O ATOM 1525 OE2 GLU A 97 -14.588 7.282 3.025 1.00 73.30 O ATOM 0 H GLU A 97 -11.359 5.167 1.380 1.00 24.42 H new ATOM 0 HA GLU A 97 -11.957 7.810 2.186 1.00 21.30 H new ATOM 0 HB2 GLU A 97 -10.773 5.413 3.646 1.00 3.24 H new ATOM 0 HB3 GLU A 97 -11.102 6.933 4.454 1.00 3.24 H new ATOM 0 HG2 GLU A 97 -13.185 5.187 3.071 1.00 4.24 H new ATOM 0 HG3 GLU A 97 -12.908 5.258 4.799 1.00 4.24 H new ATOM 1532 N PHE A 98 -8.766 6.956 1.923 1.00 52.44 N ATOM 1533 CA PHE A 98 -7.382 7.428 1.903 1.00 20.21 C ATOM 1534 C PHE A 98 -7.175 8.427 0.754 1.00 61.23 C ATOM 1535 O PHE A 98 -6.485 9.417 0.923 1.00 64.30 O ATOM 1536 CB PHE A 98 -6.376 6.251 1.794 1.00 22.21 C ATOM 1537 CG PHE A 98 -4.934 6.703 1.969 1.00 44.43 C ATOM 1538 CD1 PHE A 98 -4.427 6.946 3.248 1.00 75.11 C ATOM 1539 CD2 PHE A 98 -4.102 6.935 0.869 1.00 22.35 C ATOM 1540 CE1 PHE A 98 -3.147 7.410 3.420 1.00 21.53 C ATOM 1541 CE2 PHE A 98 -2.819 7.393 1.050 1.00 41.13 C ATOM 1542 CZ PHE A 98 -2.348 7.632 2.324 1.00 71.23 C ATOM 0 H PHE A 98 -8.877 5.994 1.602 1.00 52.44 H new ATOM 0 HA PHE A 98 -7.190 7.935 2.849 1.00 20.21 H new ATOM 0 HB2 PHE A 98 -6.614 5.502 2.550 1.00 22.21 H new ATOM 0 HB3 PHE A 98 -6.488 5.770 0.822 1.00 22.21 H new ATOM 0 HD1 PHE A 98 -5.050 6.767 4.112 1.00 75.11 H new ATOM 0 HD2 PHE A 98 -4.470 6.753 -0.130 1.00 22.35 H new ATOM 0 HE1 PHE A 98 -2.769 7.600 4.414 1.00 21.53 H new ATOM 0 HE2 PHE A 98 -2.181 7.565 0.196 1.00 41.13 H new ATOM 0 HZ PHE A 98 -1.341 7.997 2.462 1.00 71.23 H new ATOM 1552 N LEU A 99 -7.785 8.146 -0.409 1.00 25.11 N ATOM 1553 CA LEU A 99 -7.728 9.034 -1.594 1.00 65.23 C ATOM 1554 C LEU A 99 -8.410 10.384 -1.291 1.00 20.01 C ATOM 1555 O LEU A 99 -8.016 11.432 -1.824 1.00 14.11 O ATOM 1556 CB LEU A 99 -8.409 8.342 -2.809 1.00 23.01 C ATOM 1557 CG LEU A 99 -7.795 6.971 -3.244 1.00 50.12 C ATOM 1558 CD1 LEU A 99 -8.638 6.303 -4.354 1.00 54.03 C ATOM 1559 CD2 LEU A 99 -6.312 7.121 -3.659 1.00 61.54 C ATOM 0 H LEU A 99 -8.333 7.299 -0.560 1.00 25.11 H new ATOM 0 HA LEU A 99 -6.683 9.226 -1.838 1.00 65.23 H new ATOM 0 HB2 LEU A 99 -9.462 8.188 -2.572 1.00 23.01 H new ATOM 0 HB3 LEU A 99 -8.370 9.022 -3.660 1.00 23.01 H new ATOM 0 HG LEU A 99 -7.820 6.309 -2.378 1.00 50.12 H new ATOM 0 HD11 LEU A 99 -8.184 5.352 -4.633 1.00 54.03 H new ATOM 0 HD12 LEU A 99 -9.649 6.128 -3.987 1.00 54.03 H new ATOM 0 HD13 LEU A 99 -8.676 6.957 -5.225 1.00 54.03 H new ATOM 0 HD21 LEU A 99 -5.917 6.149 -3.955 1.00 61.54 H new ATOM 0 HD22 LEU A 99 -6.237 7.814 -4.497 1.00 61.54 H new ATOM 0 HD23 LEU A 99 -5.736 7.506 -2.817 1.00 61.54 H new ATOM 1571 N LYS A 100 -9.433 10.325 -0.417 1.00 65.50 N ATOM 1572 CA LYS A 100 -10.160 11.503 0.075 1.00 30.52 C ATOM 1573 C LYS A 100 -9.243 12.306 1.027 1.00 33.33 C ATOM 1574 O LYS A 100 -8.962 13.475 0.780 1.00 61.13 O ATOM 1575 CB LYS A 100 -11.476 11.027 0.793 1.00 54.34 C ATOM 1576 CG LYS A 100 -12.621 12.069 0.970 1.00 32.41 C ATOM 1577 CD LYS A 100 -12.453 13.079 2.154 1.00 11.41 C ATOM 1578 CE LYS A 100 -11.909 14.458 1.731 1.00 15.02 C ATOM 1579 NZ LYS A 100 -12.774 15.126 0.718 1.00 22.44 N ATOM 0 H LYS A 100 -9.779 9.447 -0.031 1.00 65.50 H new ATOM 0 HA LYS A 100 -10.441 12.158 -0.750 1.00 30.52 H new ATOM 0 HB2 LYS A 100 -11.876 10.181 0.234 1.00 54.34 H new ATOM 0 HB3 LYS A 100 -11.204 10.656 1.781 1.00 54.34 H new ATOM 0 HG2 LYS A 100 -12.715 12.637 0.044 1.00 32.41 H new ATOM 0 HG3 LYS A 100 -13.558 11.530 1.109 1.00 32.41 H new ATOM 0 HD2 LYS A 100 -13.418 13.215 2.642 1.00 11.41 H new ATOM 0 HD3 LYS A 100 -11.780 12.646 2.894 1.00 11.41 H new ATOM 0 HE2 LYS A 100 -11.825 15.097 2.610 1.00 15.02 H new ATOM 0 HE3 LYS A 100 -10.904 14.340 1.325 1.00 15.02 H new ATOM 0 HZ1 LYS A 100 -13.089 16.047 1.084 1.00 22.44 H new ATOM 0 HZ2 LYS A 100 -12.235 15.268 -0.160 1.00 22.44 H new ATOM 0 HZ3 LYS A 100 -13.603 14.530 0.522 1.00 22.44 H new ATOM 1593 N THR A 101 -8.738 11.656 2.089 1.00 44.24 N ATOM 1594 CA THR A 101 -8.043 12.370 3.183 1.00 12.22 C ATOM 1595 C THR A 101 -6.620 12.818 2.790 1.00 60.05 C ATOM 1596 O THR A 101 -6.187 13.887 3.197 1.00 3.31 O ATOM 1597 CB THR A 101 -8.007 11.525 4.500 1.00 72.35 C ATOM 1598 OG1 THR A 101 -7.400 12.270 5.570 1.00 52.44 O ATOM 1599 CG2 THR A 101 -7.242 10.211 4.332 1.00 21.34 C ATOM 0 H THR A 101 -8.795 10.646 2.217 1.00 44.24 H new ATOM 0 HA THR A 101 -8.628 13.270 3.371 1.00 12.22 H new ATOM 0 HB THR A 101 -9.045 11.295 4.739 1.00 72.35 H new ATOM 0 HG1 THR A 101 -7.389 11.724 6.384 1.00 52.44 H new ATOM 0 HG21 THR A 101 -7.247 9.664 5.275 1.00 21.34 H new ATOM 0 HG22 THR A 101 -7.720 9.608 3.560 1.00 21.34 H new ATOM 0 HG23 THR A 101 -6.213 10.424 4.042 1.00 21.34 H new ATOM 1607 N ALA A 102 -5.908 11.996 2.001 1.00 61.11 N ATOM 1608 CA ALA A 102 -4.531 12.280 1.555 1.00 51.32 C ATOM 1609 C ALA A 102 -4.522 13.188 0.315 1.00 31.20 C ATOM 1610 O ALA A 102 -3.516 13.845 0.034 1.00 32.23 O ATOM 1611 CB ALA A 102 -3.790 10.974 1.261 1.00 63.53 C ATOM 0 H ALA A 102 -6.273 11.110 1.652 1.00 61.11 H new ATOM 0 HA ALA A 102 -4.018 12.806 2.360 1.00 51.32 H new ATOM 0 HB1 ALA A 102 -2.775 11.198 0.933 1.00 63.53 H new ATOM 0 HB2 ALA A 102 -3.753 10.365 2.164 1.00 63.53 H new ATOM 0 HB3 ALA A 102 -4.313 10.428 0.476 1.00 63.53 H new ATOM 1617 N GLY A 103 -5.639 13.174 -0.446 1.00 30.33 N ATOM 1618 CA GLY A 103 -5.833 14.077 -1.588 1.00 5.34 C ATOM 1619 C GLY A 103 -6.854 15.167 -1.261 1.00 32.41 C ATOM 1620 O GLY A 103 -7.068 15.459 -0.082 1.00 21.22 O ATOM 0 H GLY A 103 -6.421 12.540 -0.283 1.00 30.33 H new ATOM 0 HA2 GLY A 103 -4.882 14.535 -1.859 1.00 5.34 H new ATOM 0 HA3 GLY A 103 -6.170 13.507 -2.453 1.00 5.34 H new ATOM 1624 N SER A 104 -7.475 15.740 -2.318 1.00 11.50 N ATOM 1625 CA SER A 104 -8.546 16.791 -2.281 1.00 44.45 C ATOM 1626 C SER A 104 -8.169 18.042 -1.427 1.00 21.33 C ATOM 1627 O SER A 104 -7.896 19.120 -1.978 1.00 22.23 O ATOM 1628 CB SER A 104 -9.935 16.194 -1.873 1.00 33.44 C ATOM 1629 OG SER A 104 -9.945 15.682 -0.554 1.00 3.34 O ATOM 0 H SER A 104 -7.238 15.476 -3.274 1.00 11.50 H new ATOM 0 HA SER A 104 -8.635 17.157 -3.304 1.00 44.45 H new ATOM 0 HB2 SER A 104 -10.698 16.967 -1.964 1.00 33.44 H new ATOM 0 HB3 SER A 104 -10.202 15.399 -2.569 1.00 33.44 H new ATOM 0 HG SER A 104 -9.427 14.851 -0.522 1.00 3.34 H new ATOM 1635 N LEU A 105 -8.143 17.857 -0.090 1.00 13.40 N ATOM 1636 CA LEU A 105 -7.810 18.895 0.923 1.00 43.21 C ATOM 1637 C LEU A 105 -6.398 19.484 0.688 1.00 41.01 C ATOM 1638 O LEU A 105 -5.571 18.875 0.003 1.00 25.52 O ATOM 1639 CB LEU A 105 -7.861 18.248 2.346 1.00 1.10 C ATOM 1640 CG LEU A 105 -9.100 17.351 2.665 1.00 73.22 C ATOM 1641 CD1 LEU A 105 -9.007 16.748 4.085 1.00 44.12 C ATOM 1642 CD2 LEU A 105 -10.430 18.110 2.447 1.00 44.03 C ATOM 0 H LEU A 105 -8.359 16.954 0.333 1.00 13.40 H new ATOM 0 HA LEU A 105 -8.536 19.704 0.837 1.00 43.21 H new ATOM 0 HB2 LEU A 105 -6.962 17.646 2.479 1.00 1.10 H new ATOM 0 HB3 LEU A 105 -7.821 19.048 3.085 1.00 1.10 H new ATOM 0 HG LEU A 105 -9.092 16.521 1.959 1.00 73.22 H new ATOM 0 HD11 LEU A 105 -9.884 16.129 4.276 1.00 44.12 H new ATOM 0 HD12 LEU A 105 -8.108 16.137 4.163 1.00 44.12 H new ATOM 0 HD13 LEU A 105 -8.963 17.552 4.820 1.00 44.12 H new ATOM 0 HD21 LEU A 105 -11.267 17.452 2.680 1.00 44.03 H new ATOM 0 HD22 LEU A 105 -10.462 18.982 3.100 1.00 44.03 H new ATOM 0 HD23 LEU A 105 -10.499 18.432 1.408 1.00 44.03 H new ATOM 1654 N GLU A 106 -6.121 20.664 1.269 1.00 53.41 N ATOM 1655 CA GLU A 106 -4.781 21.273 1.205 1.00 70.21 C ATOM 1656 C GLU A 106 -3.834 20.544 2.195 1.00 20.03 C ATOM 1657 O GLU A 106 -4.211 20.275 3.348 1.00 30.43 O ATOM 1658 CB GLU A 106 -4.835 22.798 1.498 1.00 11.25 C ATOM 1659 CG GLU A 106 -5.360 23.187 2.902 1.00 41.20 C ATOM 1660 CD GLU A 106 -5.090 24.656 3.251 1.00 74.44 C ATOM 1661 OE1 GLU A 106 -3.984 24.950 3.751 1.00 30.23 O ATOM 1662 OE2 GLU A 106 -5.965 25.523 3.000 1.00 54.41 O ATOM 0 H GLU A 106 -6.806 21.214 1.787 1.00 53.41 H new ATOM 0 HA GLU A 106 -4.392 21.159 0.193 1.00 70.21 H new ATOM 0 HB2 GLU A 106 -3.833 23.210 1.377 1.00 11.25 H new ATOM 0 HB3 GLU A 106 -5.468 23.273 0.748 1.00 11.25 H new ATOM 0 HG2 GLU A 106 -6.432 22.998 2.949 1.00 41.20 H new ATOM 0 HG3 GLU A 106 -4.891 22.548 3.650 1.00 41.20 H new ATOM 1669 N HIS A 107 -2.620 20.187 1.729 1.00 4.34 N ATOM 1670 CA HIS A 107 -1.649 19.400 2.519 1.00 32.14 C ATOM 1671 C HIS A 107 -0.288 20.082 2.512 1.00 52.13 C ATOM 1672 O HIS A 107 0.350 20.206 1.462 1.00 34.02 O ATOM 1673 CB HIS A 107 -1.534 17.958 1.962 1.00 72.03 C ATOM 1674 CG HIS A 107 -2.820 17.197 2.077 1.00 33.04 C ATOM 1675 ND1 HIS A 107 -3.374 16.891 3.294 1.00 25.25 N ATOM 1676 CD2 HIS A 107 -3.702 16.759 1.148 1.00 41.31 C ATOM 1677 CE1 HIS A 107 -4.535 16.317 3.119 1.00 11.04 C ATOM 1678 NE2 HIS A 107 -4.766 16.218 1.826 1.00 1.31 N ATOM 0 H HIS A 107 -2.285 20.435 0.798 1.00 4.34 H new ATOM 0 HA HIS A 107 -2.006 19.343 3.547 1.00 32.14 H new ATOM 0 HB2 HIS A 107 -1.231 17.999 0.916 1.00 72.03 H new ATOM 0 HB3 HIS A 107 -0.750 17.425 2.500 1.00 72.03 H new ATOM 0 HD2 HIS A 107 -3.590 16.823 0.076 1.00 41.31 H new ATOM 0 HE1 HIS A 107 -5.195 15.980 3.904 1.00 11.04 H new ATOM 0 HE2 HIS A 107 -5.597 15.808 1.400 1.00 1.31 H new ATOM 1687 N HIS A 108 0.132 20.542 3.694 1.00 71.22 N ATOM 1688 CA HIS A 108 1.443 21.162 3.903 1.00 2.22 C ATOM 1689 C HIS A 108 2.514 20.060 3.981 1.00 21.11 C ATOM 1690 O HIS A 108 2.217 18.940 4.419 1.00 54.21 O ATOM 1691 CB HIS A 108 1.421 22.032 5.190 1.00 41.34 C ATOM 1692 CG HIS A 108 0.482 23.221 5.107 1.00 23.34 C ATOM 1693 ND1 HIS A 108 0.906 24.532 5.199 1.00 21.34 N ATOM 1694 CD2 HIS A 108 -0.863 23.288 4.912 1.00 52.21 C ATOM 1695 CE1 HIS A 108 -0.129 25.340 5.067 1.00 55.33 C ATOM 1696 NE2 HIS A 108 -1.205 24.612 4.890 1.00 74.13 N ATOM 0 H HIS A 108 -0.434 20.494 4.541 1.00 71.22 H new ATOM 0 HA HIS A 108 1.684 21.819 3.068 1.00 2.22 H new ATOM 0 HB2 HIS A 108 1.129 21.408 6.035 1.00 41.34 H new ATOM 0 HB3 HIS A 108 2.430 22.391 5.393 1.00 41.34 H new ATOM 0 HD2 HIS A 108 -1.536 22.451 4.796 1.00 52.21 H new ATOM 0 HE1 HIS A 108 -0.095 26.419 5.099 1.00 55.33 H new ATOM 0 HE2 HIS A 108 -2.149 24.976 4.757 1.00 74.13 H new ATOM 1705 N HIS A 109 3.744 20.381 3.549 1.00 41.12 N ATOM 1706 CA HIS A 109 4.851 19.399 3.457 1.00 4.44 C ATOM 1707 C HIS A 109 5.245 18.851 4.849 1.00 14.15 C ATOM 1708 O HIS A 109 5.340 19.609 5.821 1.00 25.43 O ATOM 1709 CB HIS A 109 6.085 20.008 2.726 1.00 22.32 C ATOM 1710 CG HIS A 109 6.787 21.149 3.421 1.00 71.45 C ATOM 1711 ND1 HIS A 109 8.146 21.181 3.629 1.00 41.54 N ATOM 1712 CD2 HIS A 109 6.310 22.309 3.926 1.00 24.53 C ATOM 1713 CE1 HIS A 109 8.471 22.313 4.218 1.00 75.11 C ATOM 1714 NE2 HIS A 109 7.377 23.010 4.415 1.00 13.13 N ATOM 0 H HIS A 109 4.004 21.322 3.254 1.00 41.12 H new ATOM 0 HA HIS A 109 4.490 18.558 2.864 1.00 4.44 H new ATOM 0 HB2 HIS A 109 6.811 19.211 2.561 1.00 22.32 H new ATOM 0 HB3 HIS A 109 5.763 20.354 1.744 1.00 22.32 H new ATOM 0 HD2 HIS A 109 5.277 22.624 3.940 1.00 24.53 H new ATOM 0 HE1 HIS A 109 9.470 22.617 4.493 1.00 75.11 H new ATOM 0 HE2 HIS A 109 7.330 23.926 4.861 1.00 13.13 H new ATOM 1723 N HIS A 110 5.452 17.530 4.922 1.00 41.32 N ATOM 1724 CA HIS A 110 5.782 16.826 6.170 1.00 10.14 C ATOM 1725 C HIS A 110 7.313 16.702 6.304 1.00 3.43 C ATOM 1726 O HIS A 110 7.982 16.194 5.398 1.00 43.52 O ATOM 1727 CB HIS A 110 5.108 15.426 6.179 1.00 52.34 C ATOM 1728 CG HIS A 110 5.322 14.646 7.451 1.00 42.44 C ATOM 1729 ND1 HIS A 110 5.749 13.337 7.473 1.00 73.23 N ATOM 1730 CD2 HIS A 110 5.157 15.000 8.746 1.00 62.23 C ATOM 1731 CE1 HIS A 110 5.842 12.925 8.716 1.00 74.33 C ATOM 1732 NE2 HIS A 110 5.491 13.914 9.508 1.00 33.02 N ATOM 0 H HIS A 110 5.395 16.914 4.111 1.00 41.32 H new ATOM 0 HA HIS A 110 5.405 17.392 7.022 1.00 10.14 H new ATOM 0 HB2 HIS A 110 4.037 15.550 6.017 1.00 52.34 H new ATOM 0 HB3 HIS A 110 5.492 14.845 5.341 1.00 52.34 H new ATOM 0 HD1 HIS A 110 5.961 12.774 6.649 1.00 73.23 H new ATOM 0 HD2 HIS A 110 4.824 15.961 9.110 1.00 62.23 H new ATOM 0 HE1 HIS A 110 6.154 11.941 9.034 1.00 74.33 H new ATOM 1741 N HIS A 111 7.843 17.188 7.440 1.00 45.01 N ATOM 1742 CA HIS A 111 9.285 17.132 7.776 1.00 32.43 C ATOM 1743 C HIS A 111 9.661 15.725 8.298 1.00 43.44 C ATOM 1744 O HIS A 111 8.804 14.840 8.403 1.00 13.24 O ATOM 1745 CB HIS A 111 9.642 18.213 8.844 1.00 53.23 C ATOM 1746 CG HIS A 111 9.343 19.643 8.439 1.00 13.12 C ATOM 1747 ND1 HIS A 111 10.319 20.590 8.206 1.00 61.24 N ATOM 1748 CD2 HIS A 111 8.163 20.294 8.269 1.00 65.44 C ATOM 1749 CE1 HIS A 111 9.755 21.746 7.927 1.00 64.44 C ATOM 1750 NE2 HIS A 111 8.451 21.594 7.956 1.00 12.34 N ATOM 0 H HIS A 111 7.279 17.637 8.162 1.00 45.01 H new ATOM 0 HA HIS A 111 9.856 17.336 6.870 1.00 32.43 H new ATOM 0 HB2 HIS A 111 9.096 17.990 9.760 1.00 53.23 H new ATOM 0 HB3 HIS A 111 10.704 18.133 9.078 1.00 53.23 H new ATOM 0 HD2 HIS A 111 7.177 19.864 8.364 1.00 65.44 H new ATOM 0 HE1 HIS A 111 10.277 22.666 7.710 1.00 64.44 H new ATOM 0 HE2 HIS A 111 7.765 22.326 7.775 1.00 12.34 H new ATOM 1759 N HIS A 112 10.949 15.539 8.629 1.00 51.01 N ATOM 1760 CA HIS A 112 11.471 14.292 9.232 1.00 44.23 C ATOM 1761 C HIS A 112 12.384 14.641 10.427 1.00 51.11 C ATOM 1762 O HIS A 112 12.148 14.158 11.540 1.00 11.12 O ATOM 1763 CB HIS A 112 12.203 13.402 8.180 1.00 65.33 C ATOM 1764 CG HIS A 112 13.306 14.073 7.401 1.00 3.11 C ATOM 1765 ND1 HIS A 112 13.069 14.803 6.262 1.00 42.12 N ATOM 1766 CD2 HIS A 112 14.651 14.108 7.591 1.00 71.13 C ATOM 1767 CE1 HIS A 112 14.209 15.264 5.790 1.00 63.54 C ATOM 1768 NE2 HIS A 112 15.179 14.857 6.578 1.00 23.23 N ATOM 1769 OXT HIS A 112 13.311 15.450 10.258 1.00 38.33 O ATOM 0 H HIS A 112 11.665 16.251 8.487 1.00 51.01 H new ATOM 0 HA HIS A 112 10.631 13.701 9.597 1.00 44.23 H new ATOM 0 HB2 HIS A 112 12.622 12.537 8.694 1.00 65.33 H new ATOM 0 HB3 HIS A 112 11.463 13.026 7.474 1.00 65.33 H new ATOM 0 HD2 HIS A 112 15.199 13.633 8.392 1.00 71.13 H new ATOM 0 HE1 HIS A 112 14.327 15.873 4.906 1.00 63.54 H new ATOM 0 HE2 HIS A 112 16.169 15.067 6.453 1.00 23.23 H new TER 1778 HIS A 112