USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 890 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 74 LYS NZ :NH3+ 171:sc= 0.502 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= 0.468 USER MOD Set 2.1: A 62 SER OG : rot 140:sc= 0.488 USER MOD Set 2.2: A 64 ASN : amide:sc= 0.527 X(o=1,f=0.59) USER MOD Set 3.1: A 63 GLN : amide:sc= 0.209 K(o=0.45,f=-0.45) USER MOD Set 3.2: A 67 ASN : amide:sc= 0.241 K(o=0.45,f=-1.3) USER MOD Set 4.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.011) USER MOD Set 5.1: A 19 GLN :FLIP amide:sc= -0.0386 F(o=-0.73,f=-0.039) USER MOD Set 5.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -124:sc= 0 (180deg=-0.809) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0.752 (180deg=0.462) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 105:sc= -0.293 USER MOD Single : A 10 THR OG1 : rot 63:sc= 0.0852 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 16 SER OG : rot 68:sc= 0.919 USER MOD Single : A 17 SER OG : rot 77:sc= 0.283 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 26 TYR OH : rot -120:sc= 0.281 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 23:sc= 0.295 USER MOD Single : A 36 SER OG : rot 160:sc= -0.295 USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= 0.276 (180deg=-0.25) USER MOD Single : A 46 SER OG : rot -4:sc= 1.26 USER MOD Single : A 47 MET CE :methyl -167:sc= -0.0601 (180deg=-0.326) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0.715 (180deg=0.61) USER MOD Single : A 50 ASN : amide:sc= 0.542 K(o=0.54,f=-0.46) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.314 F(o=-1.1,f=-0.31) USER MOD Single : A 71 ASN : amide:sc= 0.0702 X(o=0.07,f=-0.056) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0.626 (180deg=0.523) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -126:sc= -0.0131 (180deg=-0.0587) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 49:sc= 0.101 USER MOD Single : A 92 THR OG1 : rot 98:sc= 1.1 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 7:sc= 0.15 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.008) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 109 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.17) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 111 HIS : no HD1:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.711 4.631 15.061 1.00 0.00 N ATOM 2 CA MET A 1 2.491 3.384 15.218 1.00 52.33 C ATOM 3 C MET A 1 2.833 2.837 13.826 1.00 13.33 C ATOM 4 O MET A 1 2.157 1.938 13.302 1.00 1.33 O ATOM 5 CB MET A 1 1.696 2.365 16.088 1.00 11.12 C ATOM 6 CG MET A 1 2.470 1.104 16.494 1.00 71.15 C ATOM 7 SD MET A 1 1.588 0.124 17.728 1.00 1.40 S ATOM 8 CE MET A 1 2.856 -1.020 18.267 1.00 14.22 C ATOM 0 H1 MET A 1 1.788 5.200 15.928 1.00 0.00 H new ATOM 0 H2 MET A 1 2.083 5.174 14.256 1.00 0.00 H new ATOM 0 H3 MET A 1 0.713 4.397 14.889 1.00 0.00 H new ATOM 0 HA MET A 1 3.428 3.577 15.741 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.358 2.871 16.993 1.00 11.12 H new ATOM 0 HB3 MET A 1 0.804 2.063 15.540 1.00 11.12 H new ATOM 0 HG2 MET A 1 2.652 0.492 15.610 1.00 71.15 H new ATOM 0 HG3 MET A 1 3.444 1.390 16.890 1.00 71.15 H new ATOM 0 HE1 MET A 1 2.503 -2.043 18.135 1.00 14.22 H new ATOM 0 HE2 MET A 1 3.758 -0.868 17.675 1.00 14.22 H new ATOM 0 HE3 MET A 1 3.079 -0.846 19.320 1.00 14.22 H new ATOM 20 N GLY A 2 3.859 3.456 13.205 1.00 64.31 N ATOM 21 CA GLY A 2 4.205 3.211 11.805 1.00 51.04 C ATOM 22 C GLY A 2 3.226 3.887 10.843 1.00 23.15 C ATOM 23 O GLY A 2 2.111 4.272 11.245 1.00 41.42 O ATOM 0 H GLY A 2 4.464 4.136 13.666 1.00 64.31 H new ATOM 0 HA2 GLY A 2 5.213 3.577 11.612 1.00 51.04 H new ATOM 0 HA3 GLY A 2 4.214 2.137 11.617 1.00 51.04 H new ATOM 27 N LYS A 3 3.623 4.039 9.571 1.00 33.45 N ATOM 28 CA LYS A 3 2.754 4.621 8.538 1.00 31.00 C ATOM 29 C LYS A 3 2.909 3.859 7.219 1.00 64.42 C ATOM 30 O LYS A 3 4.026 3.623 6.754 1.00 43.23 O ATOM 31 CB LYS A 3 3.017 6.145 8.352 1.00 62.44 C ATOM 32 CG LYS A 3 2.077 6.831 7.314 1.00 43.44 C ATOM 33 CD LYS A 3 2.138 8.374 7.343 1.00 41.11 C ATOM 34 CE LYS A 3 1.557 8.965 8.642 1.00 65.33 C ATOM 35 NZ LYS A 3 1.602 10.450 8.652 1.00 32.55 N ATOM 0 H LYS A 3 4.545 3.765 9.232 1.00 33.45 H new ATOM 0 HA LYS A 3 1.721 4.519 8.872 1.00 31.00 H new ATOM 0 HB2 LYS A 3 2.902 6.643 9.315 1.00 62.44 H new ATOM 0 HB3 LYS A 3 4.051 6.289 8.040 1.00 62.44 H new ATOM 0 HG2 LYS A 3 2.341 6.485 6.315 1.00 43.44 H new ATOM 0 HG3 LYS A 3 1.051 6.514 7.501 1.00 43.44 H new ATOM 0 HD2 LYS A 3 3.174 8.695 7.233 1.00 41.11 H new ATOM 0 HD3 LYS A 3 1.589 8.772 6.490 1.00 41.11 H new ATOM 0 HE2 LYS A 3 0.525 8.634 8.760 1.00 65.33 H new ATOM 0 HE3 LYS A 3 2.115 8.580 9.496 1.00 65.33 H new ATOM 0 HZ1 LYS A 3 1.201 10.803 9.544 1.00 32.55 H new ATOM 0 HZ2 LYS A 3 2.588 10.768 8.566 1.00 32.55 H new ATOM 0 HZ3 LYS A 3 1.048 10.819 7.853 1.00 32.55 H new ATOM 49 N VAL A 4 1.766 3.462 6.647 1.00 33.51 N ATOM 50 CA VAL A 4 1.679 2.756 5.365 1.00 62.34 C ATOM 51 C VAL A 4 1.148 3.718 4.290 1.00 21.11 C ATOM 52 O VAL A 4 0.384 4.626 4.603 1.00 53.32 O ATOM 53 CB VAL A 4 0.720 1.510 5.471 1.00 1.45 C ATOM 54 CG1 VAL A 4 0.679 0.713 4.151 1.00 4.11 C ATOM 55 CG2 VAL A 4 1.115 0.593 6.653 1.00 71.11 C ATOM 0 H VAL A 4 0.854 3.627 7.074 1.00 33.51 H new ATOM 0 HA VAL A 4 2.675 2.404 5.095 1.00 62.34 H new ATOM 0 HB VAL A 4 -0.283 1.892 5.662 1.00 1.45 H new ATOM 0 HG11 VAL A 4 0.008 -0.139 4.261 1.00 4.11 H new ATOM 0 HG12 VAL A 4 0.320 1.357 3.348 1.00 4.11 H new ATOM 0 HG13 VAL A 4 1.681 0.357 3.910 1.00 4.11 H new ATOM 0 HG21 VAL A 4 0.434 -0.257 6.698 1.00 71.11 H new ATOM 0 HG22 VAL A 4 2.134 0.234 6.510 1.00 71.11 H new ATOM 0 HG23 VAL A 4 1.056 1.155 7.585 1.00 71.11 H new ATOM 65 N LEU A 5 1.578 3.528 3.038 1.00 42.43 N ATOM 66 CA LEU A 5 1.010 4.204 1.874 1.00 2.24 C ATOM 67 C LEU A 5 0.112 3.199 1.140 1.00 52.42 C ATOM 68 O LEU A 5 0.607 2.252 0.521 1.00 12.31 O ATOM 69 CB LEU A 5 2.128 4.721 0.935 1.00 62.33 C ATOM 70 CG LEU A 5 1.654 5.600 -0.267 1.00 71.31 C ATOM 71 CD1 LEU A 5 0.991 6.906 0.223 1.00 1.31 C ATOM 72 CD2 LEU A 5 2.817 5.885 -1.238 1.00 52.14 C ATOM 0 H LEU A 5 2.340 2.892 2.805 1.00 42.43 H new ATOM 0 HA LEU A 5 0.429 5.070 2.192 1.00 2.24 H new ATOM 0 HB2 LEU A 5 2.835 5.301 1.528 1.00 62.33 H new ATOM 0 HB3 LEU A 5 2.671 3.862 0.541 1.00 62.33 H new ATOM 0 HG LEU A 5 0.899 5.037 -0.816 1.00 71.31 H new ATOM 0 HD11 LEU A 5 0.672 7.496 -0.636 1.00 1.31 H new ATOM 0 HD12 LEU A 5 0.125 6.665 0.840 1.00 1.31 H new ATOM 0 HD13 LEU A 5 1.708 7.479 0.811 1.00 1.31 H new ATOM 0 HD21 LEU A 5 2.459 6.498 -2.065 1.00 52.14 H new ATOM 0 HD22 LEU A 5 3.610 6.415 -0.710 1.00 52.14 H new ATOM 0 HD23 LEU A 5 3.206 4.944 -1.627 1.00 52.14 H new ATOM 84 N LEU A 6 -1.205 3.391 1.239 1.00 25.33 N ATOM 85 CA LEU A 6 -2.196 2.514 0.621 1.00 14.21 C ATOM 86 C LEU A 6 -2.422 2.981 -0.826 1.00 44.04 C ATOM 87 O LEU A 6 -3.102 3.985 -1.061 1.00 34.23 O ATOM 88 CB LEU A 6 -3.519 2.545 1.440 1.00 0.02 C ATOM 89 CG LEU A 6 -4.677 1.626 0.925 1.00 30.52 C ATOM 90 CD1 LEU A 6 -4.274 0.136 0.964 1.00 54.40 C ATOM 91 CD2 LEU A 6 -5.984 1.886 1.711 1.00 30.23 C ATOM 0 H LEU A 6 -1.616 4.168 1.756 1.00 25.33 H new ATOM 0 HA LEU A 6 -1.841 1.484 0.612 1.00 14.21 H new ATOM 0 HB2 LEU A 6 -3.291 2.264 2.468 1.00 0.02 H new ATOM 0 HB3 LEU A 6 -3.883 3.572 1.463 1.00 0.02 H new ATOM 0 HG LEU A 6 -4.866 1.880 -0.118 1.00 30.52 H new ATOM 0 HD11 LEU A 6 -5.101 -0.474 0.600 1.00 54.40 H new ATOM 0 HD12 LEU A 6 -3.401 -0.021 0.331 1.00 54.40 H new ATOM 0 HD13 LEU A 6 -4.036 -0.150 1.989 1.00 54.40 H new ATOM 0 HD21 LEU A 6 -6.772 1.234 1.333 1.00 30.23 H new ATOM 0 HD22 LEU A 6 -5.820 1.680 2.769 1.00 30.23 H new ATOM 0 HD23 LEU A 6 -6.283 2.927 1.586 1.00 30.23 H new ATOM 103 N VAL A 7 -1.820 2.263 -1.785 1.00 21.43 N ATOM 104 CA VAL A 7 -1.939 2.572 -3.211 1.00 31.32 C ATOM 105 C VAL A 7 -3.178 1.855 -3.777 1.00 71.20 C ATOM 106 O VAL A 7 -3.186 0.629 -3.970 1.00 4.13 O ATOM 107 CB VAL A 7 -0.646 2.147 -4.004 1.00 73.21 C ATOM 108 CG1 VAL A 7 -0.776 2.434 -5.527 1.00 62.24 C ATOM 109 CG2 VAL A 7 0.614 2.831 -3.413 1.00 75.32 C ATOM 0 H VAL A 7 -1.236 1.450 -1.589 1.00 21.43 H new ATOM 0 HA VAL A 7 -2.050 3.650 -3.328 1.00 31.32 H new ATOM 0 HB VAL A 7 -0.535 1.069 -3.890 1.00 73.21 H new ATOM 0 HG11 VAL A 7 0.138 2.126 -6.035 1.00 62.24 H new ATOM 0 HG12 VAL A 7 -1.621 1.877 -5.931 1.00 62.24 H new ATOM 0 HG13 VAL A 7 -0.936 3.501 -5.684 1.00 62.24 H new ATOM 0 HG21 VAL A 7 1.494 2.522 -3.977 1.00 75.32 H new ATOM 0 HG22 VAL A 7 0.504 3.914 -3.476 1.00 75.32 H new ATOM 0 HG23 VAL A 7 0.731 2.539 -2.369 1.00 75.32 H new ATOM 119 N ILE A 8 -4.228 2.650 -3.994 1.00 45.14 N ATOM 120 CA ILE A 8 -5.484 2.230 -4.615 1.00 11.44 C ATOM 121 C ILE A 8 -5.511 2.748 -6.063 1.00 51.23 C ATOM 122 O ILE A 8 -5.061 3.872 -6.334 1.00 3.13 O ATOM 123 CB ILE A 8 -6.728 2.804 -3.830 1.00 11.45 C ATOM 124 CG1 ILE A 8 -6.651 2.444 -2.314 1.00 64.53 C ATOM 125 CG2 ILE A 8 -8.068 2.323 -4.446 1.00 65.14 C ATOM 126 CD1 ILE A 8 -7.787 2.999 -1.471 1.00 73.45 C ATOM 0 H ILE A 8 -4.226 3.636 -3.733 1.00 45.14 H new ATOM 0 HA ILE A 8 -5.543 1.142 -4.593 1.00 11.44 H new ATOM 0 HB ILE A 8 -6.696 3.890 -3.923 1.00 11.45 H new ATOM 0 HG12 ILE A 8 -6.638 1.359 -2.212 1.00 64.53 H new ATOM 0 HG13 ILE A 8 -5.706 2.813 -1.914 1.00 64.53 H new ATOM 0 HG21 ILE A 8 -8.900 2.739 -3.878 1.00 65.14 H new ATOM 0 HG22 ILE A 8 -8.133 2.657 -5.482 1.00 65.14 H new ATOM 0 HG23 ILE A 8 -8.114 1.235 -4.412 1.00 65.14 H new ATOM 0 HD11 ILE A 8 -7.650 2.698 -0.432 1.00 73.45 H new ATOM 0 HD12 ILE A 8 -7.791 4.087 -1.536 1.00 73.45 H new ATOM 0 HD13 ILE A 8 -8.737 2.610 -1.839 1.00 73.45 H new ATOM 138 N SER A 9 -6.022 1.924 -6.977 1.00 44.31 N ATOM 139 CA SER A 9 -6.236 2.294 -8.373 1.00 23.43 C ATOM 140 C SER A 9 -7.282 1.352 -8.968 1.00 30.21 C ATOM 141 O SER A 9 -7.223 0.133 -8.743 1.00 22.25 O ATOM 142 CB SER A 9 -4.909 2.232 -9.168 1.00 21.23 C ATOM 143 OG SER A 9 -5.076 2.609 -10.518 1.00 14.11 O ATOM 0 H SER A 9 -6.303 0.967 -6.764 1.00 44.31 H new ATOM 0 HA SER A 9 -6.596 3.321 -8.433 1.00 23.43 H new ATOM 0 HB2 SER A 9 -4.175 2.887 -8.698 1.00 21.23 H new ATOM 0 HB3 SER A 9 -4.508 1.220 -9.123 1.00 21.23 H new ATOM 0 HG SER A 9 -4.711 3.508 -10.654 1.00 14.11 H new ATOM 149 N THR A 10 -8.236 1.920 -9.727 1.00 61.24 N ATOM 150 CA THR A 10 -9.329 1.163 -10.369 1.00 22.13 C ATOM 151 C THR A 10 -8.797 0.222 -11.474 1.00 12.11 C ATOM 152 O THR A 10 -9.481 -0.720 -11.891 1.00 32.41 O ATOM 153 CB THR A 10 -10.389 2.149 -10.960 1.00 42.34 C ATOM 154 OG1 THR A 10 -9.741 3.079 -11.848 1.00 2.23 O ATOM 155 CG2 THR A 10 -11.130 2.938 -9.855 1.00 14.43 C ATOM 0 H THR A 10 -8.272 2.922 -9.914 1.00 61.24 H new ATOM 0 HA THR A 10 -9.800 0.543 -9.606 1.00 22.13 H new ATOM 0 HB THR A 10 -11.125 1.553 -11.500 1.00 42.34 H new ATOM 0 HG1 THR A 10 -9.345 2.591 -12.600 1.00 2.23 H new ATOM 0 HG21 THR A 10 -11.856 3.610 -10.312 1.00 14.43 H new ATOM 0 HG22 THR A 10 -11.646 2.241 -9.194 1.00 14.43 H new ATOM 0 HG23 THR A 10 -10.411 3.519 -9.278 1.00 14.43 H new ATOM 163 N ASP A 11 -7.562 0.491 -11.914 1.00 25.42 N ATOM 164 CA ASP A 11 -6.855 -0.295 -12.929 1.00 33.33 C ATOM 165 C ASP A 11 -5.657 -0.985 -12.258 1.00 3.31 C ATOM 166 O ASP A 11 -4.588 -0.387 -12.086 1.00 71.34 O ATOM 167 CB ASP A 11 -6.430 0.621 -14.106 1.00 43.44 C ATOM 168 CG ASP A 11 -7.645 1.228 -14.833 1.00 31.23 C ATOM 169 OD1 ASP A 11 -8.113 2.324 -14.444 1.00 23.14 O ATOM 170 OD2 ASP A 11 -8.166 0.587 -15.771 1.00 41.52 O ATOM 0 H ASP A 11 -7.015 1.279 -11.566 1.00 25.42 H new ATOM 0 HA ASP A 11 -7.503 -1.064 -13.349 1.00 33.33 H new ATOM 0 HB2 ASP A 11 -5.795 1.423 -13.730 1.00 43.44 H new ATOM 0 HB3 ASP A 11 -5.833 0.047 -14.815 1.00 43.44 H new ATOM 175 N THR A 12 -5.871 -2.243 -11.841 1.00 34.53 N ATOM 176 CA THR A 12 -4.887 -3.047 -11.096 1.00 73.21 C ATOM 177 C THR A 12 -3.620 -3.367 -11.947 1.00 63.15 C ATOM 178 O THR A 12 -2.567 -3.697 -11.400 1.00 31.41 O ATOM 179 CB THR A 12 -5.559 -4.363 -10.571 1.00 15.02 C ATOM 180 OG1 THR A 12 -6.805 -4.034 -9.929 1.00 52.42 O ATOM 181 CG2 THR A 12 -4.671 -5.111 -9.563 1.00 43.40 C ATOM 0 H THR A 12 -6.746 -2.738 -12.014 1.00 34.53 H new ATOM 0 HA THR A 12 -4.550 -2.455 -10.245 1.00 73.21 H new ATOM 0 HB THR A 12 -5.717 -5.015 -11.430 1.00 15.02 H new ATOM 0 HG1 THR A 12 -7.230 -4.854 -9.600 1.00 52.42 H new ATOM 0 HG21 THR A 12 -5.181 -6.015 -9.229 1.00 43.40 H new ATOM 0 HG22 THR A 12 -3.728 -5.381 -10.039 1.00 43.40 H new ATOM 0 HG23 THR A 12 -4.473 -4.468 -8.705 1.00 43.40 H new ATOM 189 N ASN A 13 -3.741 -3.231 -13.287 1.00 73.30 N ATOM 190 CA ASN A 13 -2.606 -3.371 -14.228 1.00 54.21 C ATOM 191 C ASN A 13 -1.593 -2.223 -14.046 1.00 60.31 C ATOM 192 O ASN A 13 -0.385 -2.419 -14.237 1.00 44.13 O ATOM 193 CB ASN A 13 -3.102 -3.416 -15.702 1.00 72.50 C ATOM 194 CG ASN A 13 -3.916 -4.671 -16.041 1.00 53.42 C ATOM 195 OD1 ASN A 13 -3.710 -5.736 -15.460 1.00 3.30 O ATOM 196 ND2 ASN A 13 -4.838 -4.557 -16.990 1.00 24.50 N ATOM 0 H ASN A 13 -4.627 -3.021 -13.746 1.00 73.30 H new ATOM 0 HA ASN A 13 -2.108 -4.314 -14.002 1.00 54.21 H new ATOM 0 HB2 ASN A 13 -3.712 -2.534 -15.898 1.00 72.50 H new ATOM 0 HB3 ASN A 13 -2.241 -3.362 -16.368 1.00 72.50 H new ATOM 0 HD21 ASN A 13 -5.399 -5.366 -17.256 1.00 24.50 H new ATOM 0 HD22 ASN A 13 -4.985 -3.660 -17.453 1.00 24.50 H new ATOM 203 N ILE A 14 -2.101 -1.024 -13.675 1.00 42.44 N ATOM 204 CA ILE A 14 -1.248 0.123 -13.322 1.00 1.35 C ATOM 205 C ILE A 14 -0.473 -0.218 -12.034 1.00 13.21 C ATOM 206 O ILE A 14 0.747 -0.070 -11.981 1.00 50.14 O ATOM 207 CB ILE A 14 -2.088 1.444 -13.120 1.00 45.31 C ATOM 208 CG1 ILE A 14 -2.953 1.776 -14.385 1.00 32.14 C ATOM 209 CG2 ILE A 14 -1.182 2.637 -12.742 1.00 64.13 C ATOM 210 CD1 ILE A 14 -2.179 1.984 -15.677 1.00 40.04 C ATOM 0 H ILE A 14 -3.101 -0.831 -13.614 1.00 42.44 H new ATOM 0 HA ILE A 14 -0.557 0.309 -14.144 1.00 1.35 H new ATOM 0 HB ILE A 14 -2.771 1.267 -12.289 1.00 45.31 H new ATOM 0 HG12 ILE A 14 -3.667 0.966 -14.537 1.00 32.14 H new ATOM 0 HG13 ILE A 14 -3.532 2.677 -14.181 1.00 32.14 H new ATOM 0 HG21 ILE A 14 -1.793 3.530 -12.610 1.00 64.13 H new ATOM 0 HG22 ILE A 14 -0.658 2.416 -11.812 1.00 64.13 H new ATOM 0 HG23 ILE A 14 -0.455 2.808 -13.536 1.00 64.13 H new ATOM 0 HD11 ILE A 14 -2.875 2.208 -16.486 1.00 40.04 H new ATOM 0 HD12 ILE A 14 -1.485 2.815 -15.555 1.00 40.04 H new ATOM 0 HD13 ILE A 14 -1.622 1.078 -15.917 1.00 40.04 H new ATOM 222 N ILE A 15 -1.214 -0.769 -11.049 1.00 65.41 N ATOM 223 CA ILE A 15 -0.682 -1.204 -9.735 1.00 41.32 C ATOM 224 C ILE A 15 0.444 -2.253 -9.910 1.00 41.55 C ATOM 225 O ILE A 15 1.447 -2.219 -9.186 1.00 21.34 O ATOM 226 CB ILE A 15 -1.862 -1.780 -8.841 1.00 35.41 C ATOM 227 CG1 ILE A 15 -2.837 -0.633 -8.423 1.00 24.35 C ATOM 228 CG2 ILE A 15 -1.358 -2.565 -7.611 1.00 15.43 C ATOM 229 CD1 ILE A 15 -4.024 -1.059 -7.567 1.00 73.24 C ATOM 0 H ILE A 15 -2.217 -0.928 -11.144 1.00 65.41 H new ATOM 0 HA ILE A 15 -0.249 -0.340 -9.230 1.00 41.32 H new ATOM 0 HB ILE A 15 -2.406 -2.499 -9.454 1.00 35.41 H new ATOM 0 HG12 ILE A 15 -2.270 0.121 -7.877 1.00 24.35 H new ATOM 0 HG13 ILE A 15 -3.216 -0.155 -9.326 1.00 24.35 H new ATOM 0 HG21 ILE A 15 -2.210 -2.933 -7.040 1.00 15.43 H new ATOM 0 HG22 ILE A 15 -0.751 -3.408 -7.941 1.00 15.43 H new ATOM 0 HG23 ILE A 15 -0.756 -1.909 -6.982 1.00 15.43 H new ATOM 0 HD11 ILE A 15 -4.636 -0.188 -7.334 1.00 73.24 H new ATOM 0 HD12 ILE A 15 -4.623 -1.787 -8.113 1.00 73.24 H new ATOM 0 HD13 ILE A 15 -3.663 -1.507 -6.641 1.00 73.24 H new ATOM 241 N SER A 16 0.263 -3.151 -10.903 1.00 32.50 N ATOM 242 CA SER A 16 1.234 -4.205 -11.250 1.00 31.22 C ATOM 243 C SER A 16 2.575 -3.600 -11.693 1.00 42.42 C ATOM 244 O SER A 16 3.633 -3.997 -11.202 1.00 74.30 O ATOM 245 CB SER A 16 0.655 -5.087 -12.377 1.00 65.23 C ATOM 246 OG SER A 16 -0.601 -5.617 -12.008 1.00 3.00 O ATOM 0 H SER A 16 -0.571 -3.162 -11.491 1.00 32.50 H new ATOM 0 HA SER A 16 1.416 -4.813 -10.364 1.00 31.22 H new ATOM 0 HB2 SER A 16 0.552 -4.498 -13.288 1.00 65.23 H new ATOM 0 HB3 SER A 16 1.346 -5.900 -12.599 1.00 65.23 H new ATOM 0 HG SER A 16 -1.258 -4.892 -11.953 1.00 3.00 H new ATOM 252 N SER A 17 2.491 -2.616 -12.610 1.00 22.34 N ATOM 253 CA SER A 17 3.669 -1.929 -13.175 1.00 12.44 C ATOM 254 C SER A 17 4.466 -1.193 -12.079 1.00 13.03 C ATOM 255 O SER A 17 5.685 -1.337 -11.988 1.00 41.34 O ATOM 256 CB SER A 17 3.214 -0.944 -14.271 1.00 51.45 C ATOM 257 OG SER A 17 2.400 -1.596 -15.230 1.00 12.52 O ATOM 0 H SER A 17 1.604 -2.275 -12.980 1.00 22.34 H new ATOM 0 HA SER A 17 4.330 -2.676 -13.614 1.00 12.44 H new ATOM 0 HB2 SER A 17 2.662 -0.120 -13.819 1.00 51.45 H new ATOM 0 HB3 SER A 17 4.086 -0.512 -14.762 1.00 51.45 H new ATOM 0 HG SER A 17 1.500 -1.722 -14.864 1.00 12.52 H new ATOM 263 N VAL A 18 3.731 -0.459 -11.222 1.00 33.13 N ATOM 264 CA VAL A 18 4.307 0.343 -10.118 1.00 60.52 C ATOM 265 C VAL A 18 5.012 -0.557 -9.088 1.00 32.41 C ATOM 266 O VAL A 18 6.085 -0.214 -8.580 1.00 40.11 O ATOM 267 CB VAL A 18 3.192 1.169 -9.386 1.00 0.35 C ATOM 268 CG1 VAL A 18 3.778 2.045 -8.254 1.00 5.25 C ATOM 269 CG2 VAL A 18 2.396 2.022 -10.387 1.00 73.13 C ATOM 0 H VAL A 18 2.714 -0.403 -11.274 1.00 33.13 H new ATOM 0 HA VAL A 18 5.034 1.023 -10.561 1.00 60.52 H new ATOM 0 HB VAL A 18 2.508 0.457 -8.924 1.00 0.35 H new ATOM 0 HG11 VAL A 18 2.974 2.601 -7.771 1.00 5.25 H new ATOM 0 HG12 VAL A 18 4.271 1.408 -7.519 1.00 5.25 H new ATOM 0 HG13 VAL A 18 4.503 2.744 -8.673 1.00 5.25 H new ATOM 0 HG21 VAL A 18 1.629 2.585 -9.856 1.00 73.13 H new ATOM 0 HG22 VAL A 18 3.070 2.714 -10.892 1.00 73.13 H new ATOM 0 HG23 VAL A 18 1.924 1.372 -11.124 1.00 73.13 H new ATOM 279 N GLN A 19 4.370 -1.708 -8.804 1.00 64.32 N ATOM 280 CA GLN A 19 4.874 -2.721 -7.866 1.00 12.43 C ATOM 281 C GLN A 19 6.280 -3.183 -8.295 1.00 4.43 C ATOM 282 O GLN A 19 7.206 -3.158 -7.496 1.00 20.24 O ATOM 283 CB GLN A 19 3.897 -3.929 -7.821 1.00 44.53 C ATOM 284 CG GLN A 19 4.273 -5.033 -6.806 1.00 70.32 C ATOM 285 CD GLN A 19 3.393 -6.289 -6.870 1.00 11.11 C ATOM 286 OE1 GLN A 19 2.124 -6.140 -7.236 1.00 45.32 O flip ATOM 287 NE2 GLN A 19 3.849 -7.395 -6.567 1.00 1.03 N flip ATOM 0 H GLN A 19 3.476 -1.960 -9.227 1.00 64.32 H new ATOM 0 HA GLN A 19 4.940 -2.285 -6.869 1.00 12.43 H new ATOM 0 HB2 GLN A 19 2.899 -3.562 -7.583 1.00 44.53 H new ATOM 0 HB3 GLN A 19 3.845 -4.372 -8.815 1.00 44.53 H new ATOM 0 HG2 GLN A 19 5.310 -5.324 -6.973 1.00 70.32 H new ATOM 0 HG3 GLN A 19 4.217 -4.617 -5.800 1.00 70.32 H new ATOM 0 HE21 GLN A 19 4.826 -7.485 -6.289 1.00 1.03 H new ATOM 0 HE22 GLN A 19 3.249 -8.219 -6.594 1.00 1.03 H new ATOM 296 N GLU A 20 6.408 -3.533 -9.593 1.00 45.23 N ATOM 297 CA GLU A 20 7.665 -4.029 -10.198 1.00 21.32 C ATOM 298 C GLU A 20 8.776 -2.958 -10.169 1.00 51.13 C ATOM 299 O GLU A 20 9.943 -3.275 -9.910 1.00 71.15 O ATOM 300 CB GLU A 20 7.399 -4.466 -11.661 1.00 52.31 C ATOM 301 CG GLU A 20 6.379 -5.612 -11.815 1.00 33.43 C ATOM 302 CD GLU A 20 6.047 -5.903 -13.287 1.00 12.35 C ATOM 303 OE1 GLU A 20 5.144 -5.239 -13.843 1.00 14.23 O ATOM 304 OE2 GLU A 20 6.716 -6.759 -13.907 1.00 62.21 O ATOM 0 H GLU A 20 5.636 -3.479 -10.257 1.00 45.23 H new ATOM 0 HA GLU A 20 8.008 -4.880 -9.609 1.00 21.32 H new ATOM 0 HB2 GLU A 20 7.044 -3.603 -12.225 1.00 52.31 H new ATOM 0 HB3 GLU A 20 8.343 -4.775 -12.111 1.00 52.31 H new ATOM 0 HG2 GLU A 20 6.776 -6.514 -11.349 1.00 33.43 H new ATOM 0 HG3 GLU A 20 5.464 -5.355 -11.282 1.00 33.43 H new ATOM 311 N ARG A 21 8.385 -1.693 -10.441 1.00 73.41 N ATOM 312 CA ARG A 21 9.319 -0.543 -10.502 1.00 11.33 C ATOM 313 C ARG A 21 9.880 -0.192 -9.109 1.00 62.32 C ATOM 314 O ARG A 21 11.067 0.122 -8.965 1.00 42.02 O ATOM 315 CB ARG A 21 8.609 0.696 -11.109 1.00 54.31 C ATOM 316 CG ARG A 21 8.133 0.521 -12.568 1.00 53.44 C ATOM 317 CD ARG A 21 7.335 1.738 -13.072 1.00 41.45 C ATOM 318 NE ARG A 21 6.797 1.535 -14.430 1.00 23.54 N ATOM 319 CZ ARG A 21 6.475 2.521 -15.286 1.00 1.31 C ATOM 320 NH1 ARG A 21 6.636 3.795 -14.942 1.00 60.13 N ATOM 321 NH2 ARG A 21 5.972 2.225 -16.476 1.00 41.43 N ATOM 0 H ARG A 21 7.414 -1.439 -10.624 1.00 73.41 H new ATOM 0 HA ARG A 21 10.154 -0.832 -11.140 1.00 11.33 H new ATOM 0 HB2 ARG A 21 7.748 0.944 -10.488 1.00 54.31 H new ATOM 0 HB3 ARG A 21 9.290 1.546 -11.064 1.00 54.31 H new ATOM 0 HG2 ARG A 21 8.997 0.363 -13.213 1.00 53.44 H new ATOM 0 HG3 ARG A 21 7.513 -0.373 -12.641 1.00 53.44 H new ATOM 0 HD2 ARG A 21 6.513 1.940 -12.385 1.00 41.45 H new ATOM 0 HD3 ARG A 21 7.978 2.618 -13.067 1.00 41.45 H new ATOM 0 HE ARG A 21 6.659 0.574 -14.744 1.00 23.54 H new ATOM 0 HH11 ARG A 21 7.007 4.032 -14.022 1.00 60.13 H new ATOM 0 HH12 ARG A 21 6.389 4.536 -15.598 1.00 60.13 H new ATOM 0 HH21 ARG A 21 5.830 1.250 -16.741 1.00 41.43 H new ATOM 0 HH22 ARG A 21 5.727 2.972 -17.126 1.00 41.43 H new ATOM 335 N ALA A 22 9.005 -0.238 -8.092 1.00 25.12 N ATOM 336 CA ALA A 22 9.373 0.056 -6.701 1.00 34.41 C ATOM 337 C ALA A 22 10.161 -1.110 -6.076 1.00 34.54 C ATOM 338 O ALA A 22 11.026 -0.890 -5.227 1.00 61.52 O ATOM 339 CB ALA A 22 8.116 0.384 -5.887 1.00 12.45 C ATOM 0 H ALA A 22 8.022 -0.481 -8.213 1.00 25.12 H new ATOM 0 HA ALA A 22 10.028 0.927 -6.689 1.00 34.41 H new ATOM 0 HB1 ALA A 22 8.396 0.601 -4.856 1.00 12.45 H new ATOM 0 HB2 ALA A 22 7.619 1.253 -6.319 1.00 12.45 H new ATOM 0 HB3 ALA A 22 7.437 -0.469 -5.907 1.00 12.45 H new ATOM 345 N LYS A 23 9.853 -2.350 -6.516 1.00 42.22 N ATOM 346 CA LYS A 23 10.607 -3.559 -6.122 1.00 2.52 C ATOM 347 C LYS A 23 11.954 -3.649 -6.865 1.00 14.15 C ATOM 348 O LYS A 23 12.826 -4.419 -6.464 1.00 31.34 O ATOM 349 CB LYS A 23 9.770 -4.846 -6.352 1.00 73.43 C ATOM 350 CG LYS A 23 8.597 -5.018 -5.363 1.00 23.13 C ATOM 351 CD LYS A 23 7.676 -6.209 -5.720 1.00 24.55 C ATOM 352 CE LYS A 23 8.346 -7.584 -5.576 1.00 70.43 C ATOM 353 NZ LYS A 23 7.460 -8.672 -6.080 1.00 24.31 N ATOM 0 H LYS A 23 9.078 -2.540 -7.151 1.00 42.22 H new ATOM 0 HA LYS A 23 10.815 -3.476 -5.055 1.00 2.52 H new ATOM 0 HB2 LYS A 23 9.376 -4.834 -7.368 1.00 73.43 H new ATOM 0 HB3 LYS A 23 10.427 -5.713 -6.275 1.00 73.43 H new ATOM 0 HG2 LYS A 23 8.994 -5.161 -4.358 1.00 23.13 H new ATOM 0 HG3 LYS A 23 8.007 -4.102 -5.345 1.00 23.13 H new ATOM 0 HD2 LYS A 23 6.794 -6.177 -5.080 1.00 24.55 H new ATOM 0 HD3 LYS A 23 7.329 -6.091 -6.747 1.00 24.55 H new ATOM 0 HE2 LYS A 23 9.286 -7.593 -6.127 1.00 70.43 H new ATOM 0 HE3 LYS A 23 8.589 -7.765 -4.529 1.00 70.43 H new ATOM 0 HZ1 LYS A 23 7.939 -9.589 -5.970 1.00 24.31 H new ATOM 0 HZ2 LYS A 23 6.573 -8.677 -5.537 1.00 24.31 H new ATOM 0 HZ3 LYS A 23 7.249 -8.510 -7.085 1.00 24.31 H new ATOM 367 N HIS A 24 12.094 -2.915 -7.981 1.00 23.31 N ATOM 368 CA HIS A 24 13.402 -2.693 -8.625 1.00 23.45 C ATOM 369 C HIS A 24 14.270 -1.740 -7.771 1.00 4.03 C ATOM 370 O HIS A 24 15.460 -1.985 -7.567 1.00 42.31 O ATOM 371 CB HIS A 24 13.191 -2.125 -10.058 1.00 14.43 C ATOM 372 CG HIS A 24 14.458 -1.847 -10.835 1.00 5.34 C ATOM 373 ND1 HIS A 24 15.034 -2.765 -11.688 1.00 55.15 N ATOM 374 CD2 HIS A 24 15.236 -0.740 -10.908 1.00 23.12 C ATOM 375 CE1 HIS A 24 16.105 -2.236 -12.242 1.00 41.44 C ATOM 376 NE2 HIS A 24 16.247 -1.007 -11.789 1.00 35.53 N ATOM 0 H HIS A 24 11.314 -2.463 -8.459 1.00 23.31 H new ATOM 0 HA HIS A 24 13.930 -3.644 -8.703 1.00 23.45 H new ATOM 0 HB2 HIS A 24 12.584 -2.831 -10.625 1.00 14.43 H new ATOM 0 HB3 HIS A 24 12.619 -1.200 -9.984 1.00 14.43 H new ATOM 0 HD2 HIS A 24 15.085 0.184 -10.369 1.00 23.12 H new ATOM 0 HE1 HIS A 24 16.757 -2.727 -12.949 1.00 41.44 H new ATOM 0 HE2 HIS A 24 16.990 -0.360 -12.053 1.00 35.53 H new ATOM 385 N ASN A 25 13.645 -0.656 -7.280 1.00 3.23 N ATOM 386 CA ASN A 25 14.344 0.431 -6.548 1.00 13.33 C ATOM 387 C ASN A 25 14.577 0.078 -5.065 1.00 4.42 C ATOM 388 O ASN A 25 15.463 0.653 -4.422 1.00 21.31 O ATOM 389 CB ASN A 25 13.547 1.763 -6.683 1.00 52.32 C ATOM 390 CG ASN A 25 13.513 2.309 -8.122 1.00 23.12 C ATOM 391 OD1 ASN A 25 14.447 2.105 -8.904 1.00 51.52 O ATOM 392 ND2 ASN A 25 12.446 3.015 -8.474 1.00 1.44 N ATOM 0 H ASN A 25 12.641 -0.502 -7.376 1.00 3.23 H new ATOM 0 HA ASN A 25 15.328 0.556 -7.000 1.00 13.33 H new ATOM 0 HB2 ASN A 25 12.525 1.604 -6.338 1.00 52.32 H new ATOM 0 HB3 ASN A 25 13.991 2.512 -6.028 1.00 52.32 H new ATOM 0 HD21 ASN A 25 12.381 3.407 -9.414 1.00 1.44 H new ATOM 0 HD22 ASN A 25 11.691 3.166 -7.805 1.00 1.44 H new ATOM 399 N TYR A 26 13.764 -0.845 -4.522 1.00 73.34 N ATOM 400 CA TYR A 26 13.851 -1.307 -3.112 1.00 52.34 C ATOM 401 C TYR A 26 13.636 -2.823 -3.054 1.00 31.15 C ATOM 402 O TYR A 26 13.023 -3.376 -3.960 1.00 74.45 O ATOM 403 CB TYR A 26 12.770 -0.611 -2.228 1.00 74.42 C ATOM 404 CG TYR A 26 12.873 0.913 -2.218 1.00 32.13 C ATOM 405 CD1 TYR A 26 13.797 1.569 -1.405 1.00 44.44 C ATOM 406 CD2 TYR A 26 12.062 1.688 -3.048 1.00 3.33 C ATOM 407 CE1 TYR A 26 13.905 2.944 -1.415 1.00 61.31 C ATOM 408 CE2 TYR A 26 12.163 3.054 -3.060 1.00 52.13 C ATOM 409 CZ TYR A 26 13.087 3.685 -2.244 1.00 11.20 C ATOM 410 OH TYR A 26 13.198 5.062 -2.252 1.00 72.32 O ATOM 0 H TYR A 26 13.018 -1.300 -5.049 1.00 73.34 H new ATOM 0 HA TYR A 26 14.839 -1.049 -2.731 1.00 52.34 H new ATOM 0 HB2 TYR A 26 11.781 -0.897 -2.586 1.00 74.42 H new ATOM 0 HB3 TYR A 26 12.857 -0.979 -1.206 1.00 74.42 H new ATOM 0 HD1 TYR A 26 14.439 0.991 -0.757 1.00 44.44 H new ATOM 0 HD2 TYR A 26 11.343 1.203 -3.691 1.00 3.33 H new ATOM 0 HE1 TYR A 26 14.625 3.438 -0.779 1.00 61.31 H new ATOM 0 HE2 TYR A 26 11.523 3.638 -3.705 1.00 52.13 H new ATOM 0 HH TYR A 26 12.341 5.461 -1.992 1.00 72.32 H new ATOM 420 N PRO A 27 14.120 -3.532 -1.984 1.00 63.12 N ATOM 421 CA PRO A 27 13.750 -4.951 -1.758 1.00 15.14 C ATOM 422 C PRO A 27 12.225 -5.090 -1.513 1.00 74.54 C ATOM 423 O PRO A 27 11.592 -4.148 -1.001 1.00 3.34 O ATOM 424 CB PRO A 27 14.580 -5.349 -0.502 1.00 0.40 C ATOM 425 CG PRO A 27 14.897 -4.044 0.181 1.00 70.04 C ATOM 426 CD PRO A 27 15.069 -3.036 -0.939 1.00 74.44 C ATOM 0 HA PRO A 27 13.961 -5.594 -2.612 1.00 15.14 H new ATOM 0 HB2 PRO A 27 14.013 -6.011 0.153 1.00 0.40 H new ATOM 0 HB3 PRO A 27 15.490 -5.880 -0.781 1.00 0.40 H new ATOM 0 HG2 PRO A 27 14.094 -3.748 0.856 1.00 70.04 H new ATOM 0 HG3 PRO A 27 15.804 -4.124 0.780 1.00 70.04 H new ATOM 0 HD2 PRO A 27 14.821 -2.025 -0.615 1.00 74.44 H new ATOM 0 HD3 PRO A 27 16.095 -3.010 -1.305 1.00 74.44 H new ATOM 434 N GLY A 28 11.648 -6.238 -1.918 1.00 60.55 N ATOM 435 CA GLY A 28 10.220 -6.525 -1.717 1.00 42.21 C ATOM 436 C GLY A 28 9.887 -6.797 -0.249 1.00 73.50 C ATOM 437 O GLY A 28 9.599 -7.934 0.141 1.00 0.45 O ATOM 0 H GLY A 28 12.157 -6.986 -2.390 1.00 60.55 H new ATOM 0 HA2 GLY A 28 9.628 -5.681 -2.072 1.00 42.21 H new ATOM 0 HA3 GLY A 28 9.936 -7.389 -2.318 1.00 42.21 H new ATOM 441 N ARG A 29 9.963 -5.733 0.568 1.00 64.14 N ATOM 442 CA ARG A 29 9.741 -5.764 2.023 1.00 73.35 C ATOM 443 C ARG A 29 8.887 -4.544 2.382 1.00 44.31 C ATOM 444 O ARG A 29 7.861 -4.658 3.055 1.00 23.31 O ATOM 445 CB ARG A 29 11.087 -5.719 2.810 1.00 64.55 C ATOM 446 CG ARG A 29 12.115 -6.809 2.436 1.00 14.35 C ATOM 447 CD ARG A 29 13.409 -6.729 3.265 1.00 22.02 C ATOM 448 NE ARG A 29 14.434 -7.664 2.769 1.00 14.11 N ATOM 449 CZ ARG A 29 15.761 -7.483 2.858 1.00 61.11 C ATOM 450 NH1 ARG A 29 16.267 -6.393 3.438 1.00 33.13 N ATOM 451 NH2 ARG A 29 16.574 -8.390 2.351 1.00 74.24 N ATOM 0 H ARG A 29 10.187 -4.800 0.223 1.00 64.14 H new ATOM 0 HA ARG A 29 9.240 -6.693 2.297 1.00 73.35 H new ATOM 0 HB2 ARG A 29 11.546 -4.743 2.654 1.00 64.55 H new ATOM 0 HB3 ARG A 29 10.868 -5.801 3.875 1.00 64.55 H new ATOM 0 HG2 ARG A 29 11.662 -7.790 2.575 1.00 14.35 H new ATOM 0 HG3 ARG A 29 12.362 -6.719 1.378 1.00 14.35 H new ATOM 0 HD2 ARG A 29 13.799 -5.712 3.233 1.00 22.02 H new ATOM 0 HD3 ARG A 29 13.187 -6.953 4.308 1.00 22.02 H new ATOM 0 HE ARG A 29 14.108 -8.520 2.321 1.00 14.11 H new ATOM 0 HH11 ARG A 29 15.643 -5.683 3.821 1.00 33.13 H new ATOM 0 HH12 ARG A 29 17.278 -6.270 3.498 1.00 33.13 H new ATOM 0 HH21 ARG A 29 16.193 -9.220 1.896 1.00 74.24 H new ATOM 0 HH22 ARG A 29 17.584 -8.262 2.414 1.00 74.24 H new ATOM 465 N TYR A 30 9.361 -3.364 1.904 1.00 1.21 N ATOM 466 CA TYR A 30 8.615 -2.088 1.966 1.00 60.41 C ATOM 467 C TYR A 30 7.351 -2.156 1.088 1.00 42.43 C ATOM 468 O TYR A 30 6.341 -1.513 1.382 1.00 32.21 O ATOM 469 CB TYR A 30 9.496 -0.911 1.476 1.00 15.35 C ATOM 470 CG TYR A 30 10.716 -0.575 2.352 1.00 52.31 C ATOM 471 CD1 TYR A 30 10.571 0.173 3.527 1.00 42.11 C ATOM 472 CD2 TYR A 30 12.006 -0.972 1.987 1.00 34.10 C ATOM 473 CE1 TYR A 30 11.662 0.507 4.305 1.00 60.11 C ATOM 474 CE2 TYR A 30 13.100 -0.644 2.763 1.00 55.41 C ATOM 475 CZ TYR A 30 12.925 0.094 3.920 1.00 22.41 C ATOM 476 OH TYR A 30 14.020 0.422 4.693 1.00 15.33 O ATOM 0 H TYR A 30 10.277 -3.275 1.463 1.00 1.21 H new ATOM 0 HA TYR A 30 8.332 -1.923 3.006 1.00 60.41 H new ATOM 0 HB2 TYR A 30 9.847 -1.140 0.470 1.00 15.35 H new ATOM 0 HB3 TYR A 30 8.871 -0.021 1.401 1.00 15.35 H new ATOM 0 HD1 TYR A 30 9.586 0.495 3.831 1.00 42.11 H new ATOM 0 HD2 TYR A 30 12.149 -1.545 1.083 1.00 34.10 H new ATOM 0 HE1 TYR A 30 11.530 1.086 5.207 1.00 60.11 H new ATOM 0 HE2 TYR A 30 14.089 -0.962 2.468 1.00 55.41 H new ATOM 0 HH TYR A 30 14.831 0.055 4.284 1.00 15.33 H new ATOM 486 N ILE A 31 7.429 -2.961 0.016 1.00 25.11 N ATOM 487 CA ILE A 31 6.337 -3.146 -0.943 1.00 32.54 C ATOM 488 C ILE A 31 5.609 -4.434 -0.566 1.00 32.50 C ATOM 489 O ILE A 31 6.222 -5.502 -0.482 1.00 42.11 O ATOM 490 CB ILE A 31 6.856 -3.244 -2.439 1.00 3.50 C ATOM 491 CG1 ILE A 31 7.382 -1.863 -2.977 1.00 2.51 C ATOM 492 CG2 ILE A 31 5.763 -3.814 -3.388 1.00 42.01 C ATOM 493 CD1 ILE A 31 8.663 -1.341 -2.343 1.00 63.10 C ATOM 0 H ILE A 31 8.262 -3.505 -0.208 1.00 25.11 H new ATOM 0 HA ILE A 31 5.676 -2.281 -0.897 1.00 32.54 H new ATOM 0 HB ILE A 31 7.697 -3.938 -2.428 1.00 3.50 H new ATOM 0 HG12 ILE A 31 7.543 -1.952 -4.051 1.00 2.51 H new ATOM 0 HG13 ILE A 31 6.600 -1.118 -2.832 1.00 2.51 H new ATOM 0 HG21 ILE A 31 6.155 -3.867 -4.404 1.00 42.01 H new ATOM 0 HG22 ILE A 31 5.478 -4.813 -3.057 1.00 42.01 H new ATOM 0 HG23 ILE A 31 4.889 -3.163 -3.369 1.00 42.01 H new ATOM 0 HD11 ILE A 31 8.928 -0.384 -2.793 1.00 63.10 H new ATOM 0 HD12 ILE A 31 8.511 -1.209 -1.272 1.00 63.10 H new ATOM 0 HD13 ILE A 31 9.469 -2.056 -2.510 1.00 63.10 H new ATOM 505 N ARG A 32 4.310 -4.301 -0.321 1.00 21.30 N ATOM 506 CA ARG A 32 3.428 -5.380 0.118 1.00 12.04 C ATOM 507 C ARG A 32 2.131 -5.294 -0.700 1.00 54.31 C ATOM 508 O ARG A 32 1.740 -4.202 -1.118 1.00 24.21 O ATOM 509 CB ARG A 32 3.132 -5.197 1.634 1.00 51.23 C ATOM 510 CG ARG A 32 2.619 -6.451 2.367 1.00 22.51 C ATOM 511 CD ARG A 32 3.715 -7.512 2.565 1.00 15.23 C ATOM 512 NE ARG A 32 4.906 -6.938 3.227 1.00 34.11 N ATOM 513 CZ ARG A 32 5.123 -6.863 4.551 1.00 24.54 C ATOM 514 NH1 ARG A 32 4.238 -7.339 5.434 1.00 12.40 N ATOM 515 NH2 ARG A 32 6.225 -6.286 4.987 1.00 53.11 N ATOM 0 H ARG A 32 3.824 -3.410 -0.426 1.00 21.30 H new ATOM 0 HA ARG A 32 3.889 -6.356 -0.033 1.00 12.04 H new ATOM 0 HB2 ARG A 32 4.044 -4.858 2.126 1.00 51.23 H new ATOM 0 HB3 ARG A 32 2.394 -4.403 1.749 1.00 51.23 H new ATOM 0 HG2 ARG A 32 2.220 -6.161 3.339 1.00 22.51 H new ATOM 0 HG3 ARG A 32 1.795 -6.886 1.801 1.00 22.51 H new ATOM 0 HD2 ARG A 32 3.324 -8.334 3.165 1.00 15.23 H new ATOM 0 HD3 ARG A 32 3.999 -7.929 1.599 1.00 15.23 H new ATOM 0 HE ARG A 32 5.634 -6.562 2.619 1.00 34.11 H new ATOM 0 HH11 ARG A 32 3.374 -7.772 5.107 1.00 12.40 H new ATOM 0 HH12 ARG A 32 4.427 -7.269 6.434 1.00 12.40 H new ATOM 0 HH21 ARG A 32 6.898 -5.904 4.322 1.00 53.11 H new ATOM 0 HH22 ARG A 32 6.405 -6.221 5.989 1.00 53.11 H new ATOM 529 N THR A 33 1.477 -6.428 -0.948 1.00 20.42 N ATOM 530 CA THR A 33 0.192 -6.471 -1.675 1.00 60.14 C ATOM 531 C THR A 33 -0.892 -7.151 -0.831 1.00 33.12 C ATOM 532 O THR A 33 -0.606 -8.073 -0.051 1.00 13.11 O ATOM 533 CB THR A 33 0.355 -7.198 -3.056 1.00 23.05 C ATOM 534 OG1 THR A 33 1.134 -8.394 -2.893 1.00 15.54 O ATOM 535 CG2 THR A 33 1.026 -6.300 -4.111 1.00 72.30 C ATOM 0 H THR A 33 1.815 -7.345 -0.655 1.00 20.42 H new ATOM 0 HA THR A 33 -0.120 -5.444 -1.865 1.00 60.14 H new ATOM 0 HB THR A 33 -0.647 -7.443 -3.409 1.00 23.05 H new ATOM 0 HG1 THR A 33 1.230 -8.843 -3.759 1.00 15.54 H new ATOM 0 HG21 THR A 33 1.117 -6.847 -5.050 1.00 72.30 H new ATOM 0 HG22 THR A 33 0.420 -5.408 -4.268 1.00 72.30 H new ATOM 0 HG23 THR A 33 2.017 -6.009 -3.763 1.00 72.30 H new ATOM 543 N ALA A 34 -2.132 -6.667 -0.989 1.00 23.41 N ATOM 544 CA ALA A 34 -3.318 -7.195 -0.318 1.00 14.14 C ATOM 545 C ALA A 34 -4.394 -7.511 -1.363 1.00 64.43 C ATOM 546 O ALA A 34 -4.897 -6.600 -2.034 1.00 3.24 O ATOM 547 CB ALA A 34 -3.834 -6.183 0.721 1.00 31.11 C ATOM 0 H ALA A 34 -2.338 -5.879 -1.603 1.00 23.41 H new ATOM 0 HA ALA A 34 -3.063 -8.114 0.209 1.00 14.14 H new ATOM 0 HB1 ALA A 34 -4.718 -6.587 1.215 1.00 31.11 H new ATOM 0 HB2 ALA A 34 -3.058 -5.995 1.463 1.00 31.11 H new ATOM 0 HB3 ALA A 34 -4.092 -5.249 0.222 1.00 31.11 H new ATOM 553 N THR A 35 -4.698 -8.808 -1.540 1.00 64.35 N ATOM 554 CA THR A 35 -5.820 -9.263 -2.385 1.00 1.34 C ATOM 555 C THR A 35 -7.054 -9.567 -1.511 1.00 74.42 C ATOM 556 O THR A 35 -8.189 -9.541 -1.995 1.00 71.33 O ATOM 557 CB THR A 35 -5.422 -10.512 -3.256 1.00 24.23 C ATOM 558 OG1 THR A 35 -6.451 -10.804 -4.219 1.00 44.35 O ATOM 559 CG2 THR A 35 -5.151 -11.774 -2.424 1.00 23.22 C ATOM 0 H THR A 35 -4.177 -9.569 -1.104 1.00 64.35 H new ATOM 0 HA THR A 35 -6.071 -8.458 -3.076 1.00 1.34 H new ATOM 0 HB THR A 35 -4.493 -10.241 -3.756 1.00 24.23 H new ATOM 0 HG1 THR A 35 -6.979 -9.996 -4.388 1.00 44.35 H new ATOM 0 HG21 THR A 35 -4.882 -12.596 -3.087 1.00 23.22 H new ATOM 0 HG22 THR A 35 -4.331 -11.584 -1.731 1.00 23.22 H new ATOM 0 HG23 THR A 35 -6.047 -12.039 -1.862 1.00 23.22 H new ATOM 567 N SER A 36 -6.819 -9.834 -0.216 1.00 41.23 N ATOM 568 CA SER A 36 -7.864 -10.205 0.746 1.00 71.41 C ATOM 569 C SER A 36 -7.627 -9.497 2.093 1.00 73.00 C ATOM 570 O SER A 36 -6.531 -8.983 2.362 1.00 43.44 O ATOM 571 CB SER A 36 -7.865 -11.748 0.918 1.00 43.10 C ATOM 572 OG SER A 36 -8.838 -12.182 1.853 1.00 31.50 O ATOM 0 H SER A 36 -5.886 -9.797 0.195 1.00 41.23 H new ATOM 0 HA SER A 36 -8.838 -9.888 0.374 1.00 71.41 H new ATOM 0 HB2 SER A 36 -8.055 -12.219 -0.046 1.00 43.10 H new ATOM 0 HB3 SER A 36 -6.878 -12.076 1.244 1.00 43.10 H new ATOM 0 HG SER A 36 -9.033 -13.131 1.705 1.00 31.50 H new ATOM 578 N SER A 37 -8.673 -9.510 2.941 1.00 2.14 N ATOM 579 CA SER A 37 -8.624 -8.995 4.321 1.00 52.21 C ATOM 580 C SER A 37 -7.713 -9.884 5.199 1.00 53.15 C ATOM 581 O SER A 37 -7.250 -9.457 6.259 1.00 63.21 O ATOM 582 CB SER A 37 -10.047 -8.915 4.916 1.00 3.00 C ATOM 583 OG SER A 37 -10.645 -10.196 4.987 1.00 63.53 O ATOM 0 H SER A 37 -9.587 -9.883 2.683 1.00 2.14 H new ATOM 0 HA SER A 37 -8.203 -7.990 4.302 1.00 52.21 H new ATOM 0 HB2 SER A 37 -10.003 -8.476 5.913 1.00 3.00 H new ATOM 0 HB3 SER A 37 -10.663 -8.256 4.304 1.00 3.00 H new ATOM 0 HG SER A 37 -11.544 -10.117 5.369 1.00 63.53 H new ATOM 589 N GLN A 38 -7.477 -11.124 4.721 1.00 55.15 N ATOM 590 CA GLN A 38 -6.554 -12.076 5.350 1.00 2.32 C ATOM 591 C GLN A 38 -5.113 -11.541 5.255 1.00 30.25 C ATOM 592 O GLN A 38 -4.399 -11.480 6.264 1.00 43.13 O ATOM 593 CB GLN A 38 -6.668 -13.468 4.667 1.00 74.34 C ATOM 594 CG GLN A 38 -8.106 -14.031 4.580 1.00 54.44 C ATOM 595 CD GLN A 38 -8.823 -14.114 5.934 1.00 73.51 C ATOM 596 OE1 GLN A 38 -8.718 -15.113 6.649 1.00 35.22 O ATOM 597 NE2 GLN A 38 -9.566 -13.073 6.289 1.00 54.45 N ATOM 0 H GLN A 38 -7.927 -11.489 3.882 1.00 55.15 H new ATOM 0 HA GLN A 38 -6.818 -12.190 6.401 1.00 2.32 H new ATOM 0 HB2 GLN A 38 -6.259 -13.397 3.659 1.00 74.34 H new ATOM 0 HB3 GLN A 38 -6.047 -14.178 5.214 1.00 74.34 H new ATOM 0 HG2 GLN A 38 -8.691 -13.404 3.908 1.00 54.44 H new ATOM 0 HG3 GLN A 38 -8.070 -15.026 4.137 1.00 54.44 H new ATOM 0 HE21 GLN A 38 -9.633 -12.261 5.675 1.00 54.45 H new ATOM 0 HE22 GLN A 38 -10.070 -13.085 7.176 1.00 54.45 H new ATOM 606 N ASP A 39 -4.713 -11.146 4.015 1.00 32.20 N ATOM 607 CA ASP A 39 -3.407 -10.498 3.738 1.00 21.53 C ATOM 608 C ASP A 39 -3.249 -9.249 4.598 1.00 62.21 C ATOM 609 O ASP A 39 -2.249 -9.099 5.291 1.00 32.23 O ATOM 610 CB ASP A 39 -3.281 -10.085 2.243 1.00 35.31 C ATOM 611 CG ASP A 39 -3.394 -11.263 1.277 1.00 31.20 C ATOM 612 OD1 ASP A 39 -4.517 -11.590 0.859 1.00 52.00 O ATOM 613 OD2 ASP A 39 -2.355 -11.863 0.926 1.00 73.54 O ATOM 0 H ASP A 39 -5.289 -11.269 3.182 1.00 32.20 H new ATOM 0 HA ASP A 39 -2.628 -11.224 3.973 1.00 21.53 H new ATOM 0 HB2 ASP A 39 -4.057 -9.356 2.008 1.00 35.31 H new ATOM 0 HB3 ASP A 39 -2.322 -9.590 2.090 1.00 35.31 H new ATOM 618 N ILE A 40 -4.291 -8.390 4.540 1.00 54.33 N ATOM 619 CA ILE A 40 -4.367 -7.101 5.258 1.00 25.43 C ATOM 620 C ILE A 40 -3.979 -7.244 6.736 1.00 11.31 C ATOM 621 O ILE A 40 -3.020 -6.602 7.178 1.00 21.01 O ATOM 622 CB ILE A 40 -5.817 -6.493 5.109 1.00 34.54 C ATOM 623 CG1 ILE A 40 -6.023 -5.969 3.652 1.00 13.23 C ATOM 624 CG2 ILE A 40 -6.133 -5.406 6.168 1.00 51.24 C ATOM 625 CD1 ILE A 40 -7.428 -5.519 3.312 1.00 63.22 C ATOM 0 H ILE A 40 -5.121 -8.580 3.979 1.00 54.33 H new ATOM 0 HA ILE A 40 -3.646 -6.419 4.808 1.00 25.43 H new ATOM 0 HB ILE A 40 -6.532 -7.293 5.300 1.00 34.54 H new ATOM 0 HG12 ILE A 40 -5.343 -5.134 3.486 1.00 13.23 H new ATOM 0 HG13 ILE A 40 -5.735 -6.758 2.957 1.00 13.23 H new ATOM 0 HG21 ILE A 40 -7.143 -5.028 6.011 1.00 51.24 H new ATOM 0 HG22 ILE A 40 -6.057 -5.838 7.166 1.00 51.24 H new ATOM 0 HG23 ILE A 40 -5.421 -4.587 6.072 1.00 51.24 H new ATOM 0 HD11 ILE A 40 -7.460 -5.175 2.278 1.00 63.22 H new ATOM 0 HD12 ILE A 40 -8.118 -6.354 3.438 1.00 63.22 H new ATOM 0 HD13 ILE A 40 -7.719 -4.704 3.975 1.00 63.22 H new ATOM 637 N ARG A 41 -4.705 -8.127 7.461 1.00 11.42 N ATOM 638 CA ARG A 41 -4.455 -8.399 8.890 1.00 23.42 C ATOM 639 C ARG A 41 -2.973 -8.695 9.153 1.00 34.23 C ATOM 640 O ARG A 41 -2.390 -8.114 10.061 1.00 24.02 O ATOM 641 CB ARG A 41 -5.346 -9.574 9.405 1.00 72.23 C ATOM 642 CG ARG A 41 -6.790 -9.176 9.776 1.00 4.20 C ATOM 643 CD ARG A 41 -6.834 -8.127 10.912 1.00 41.41 C ATOM 644 NE ARG A 41 -6.039 -8.536 12.094 1.00 62.33 N ATOM 645 CZ ARG A 41 -5.656 -7.728 13.108 1.00 31.43 C ATOM 646 NH1 ARG A 41 -6.000 -6.440 13.144 1.00 15.30 N ATOM 647 NH2 ARG A 41 -4.906 -8.224 14.081 1.00 55.31 N ATOM 0 H ARG A 41 -5.477 -8.667 7.071 1.00 11.42 H new ATOM 0 HA ARG A 41 -4.723 -7.498 9.443 1.00 23.42 H new ATOM 0 HB2 ARG A 41 -5.383 -10.347 8.637 1.00 72.23 H new ATOM 0 HB3 ARG A 41 -4.870 -10.016 10.280 1.00 72.23 H new ATOM 0 HG2 ARG A 41 -7.292 -8.776 8.895 1.00 4.20 H new ATOM 0 HG3 ARG A 41 -7.342 -10.064 10.083 1.00 4.20 H new ATOM 0 HD2 ARG A 41 -6.458 -7.175 10.537 1.00 41.41 H new ATOM 0 HD3 ARG A 41 -7.869 -7.965 11.213 1.00 41.41 H new ATOM 0 HE ARG A 41 -5.756 -9.514 12.147 1.00 62.33 H new ATOM 0 HH11 ARG A 41 -6.566 -6.042 12.394 1.00 15.30 H new ATOM 0 HH12 ARG A 41 -5.697 -5.853 13.921 1.00 15.30 H new ATOM 0 HH21 ARG A 41 -4.625 -9.204 14.059 1.00 55.31 H new ATOM 0 HH22 ARG A 41 -4.610 -7.626 14.852 1.00 55.31 H new ATOM 661 N ASP A 42 -2.378 -9.550 8.300 1.00 14.21 N ATOM 662 CA ASP A 42 -0.975 -9.980 8.438 1.00 22.41 C ATOM 663 C ASP A 42 0.002 -8.809 8.190 1.00 51.11 C ATOM 664 O ASP A 42 1.060 -8.736 8.832 1.00 11.21 O ATOM 665 CB ASP A 42 -0.669 -11.167 7.483 1.00 43.43 C ATOM 666 CG ASP A 42 0.720 -11.777 7.747 1.00 3.52 C ATOM 667 OD1 ASP A 42 0.888 -12.449 8.784 1.00 42.51 O ATOM 668 OD2 ASP A 42 1.655 -11.545 6.955 1.00 31.22 O ATOM 0 H ASP A 42 -2.856 -9.961 7.498 1.00 14.21 H new ATOM 0 HA ASP A 42 -0.830 -10.318 9.464 1.00 22.41 H new ATOM 0 HB2 ASP A 42 -1.432 -11.936 7.605 1.00 43.43 H new ATOM 0 HB3 ASP A 42 -0.724 -10.824 6.450 1.00 43.43 H new ATOM 673 N ILE A 43 -0.362 -7.902 7.260 1.00 52.14 N ATOM 674 CA ILE A 43 0.450 -6.709 6.936 1.00 11.04 C ATOM 675 C ILE A 43 0.547 -5.788 8.164 1.00 14.35 C ATOM 676 O ILE A 43 1.629 -5.329 8.555 1.00 40.51 O ATOM 677 CB ILE A 43 -0.194 -5.917 5.738 1.00 72.53 C ATOM 678 CG1 ILE A 43 -0.276 -6.802 4.453 1.00 51.21 C ATOM 679 CG2 ILE A 43 0.566 -4.606 5.470 1.00 51.05 C ATOM 680 CD1 ILE A 43 -1.003 -6.168 3.274 1.00 15.12 C ATOM 0 H ILE A 43 -1.221 -7.974 6.715 1.00 52.14 H new ATOM 0 HA ILE A 43 1.449 -7.039 6.650 1.00 11.04 H new ATOM 0 HB ILE A 43 -1.214 -5.656 6.020 1.00 72.53 H new ATOM 0 HG12 ILE A 43 0.737 -7.056 4.141 1.00 51.21 H new ATOM 0 HG13 ILE A 43 -0.775 -7.737 4.707 1.00 51.21 H new ATOM 0 HG21 ILE A 43 0.100 -4.079 4.637 1.00 51.05 H new ATOM 0 HG22 ILE A 43 0.534 -3.978 6.361 1.00 51.05 H new ATOM 0 HG23 ILE A 43 1.603 -4.831 5.222 1.00 51.05 H new ATOM 0 HD11 ILE A 43 -1.005 -6.861 2.433 1.00 15.12 H new ATOM 0 HD12 ILE A 43 -2.030 -5.940 3.560 1.00 15.12 H new ATOM 0 HD13 ILE A 43 -0.494 -5.248 2.985 1.00 15.12 H new ATOM 692 N ILE A 44 -0.618 -5.549 8.762 1.00 71.35 N ATOM 693 CA ILE A 44 -0.775 -4.675 9.925 1.00 0.44 C ATOM 694 C ILE A 44 -0.151 -5.337 11.182 1.00 61.24 C ATOM 695 O ILE A 44 0.346 -4.636 12.065 1.00 73.04 O ATOM 696 CB ILE A 44 -2.299 -4.320 10.110 1.00 41.32 C ATOM 697 CG1 ILE A 44 -2.841 -3.649 8.797 1.00 54.22 C ATOM 698 CG2 ILE A 44 -2.531 -3.409 11.334 1.00 54.23 C ATOM 699 CD1 ILE A 44 -4.334 -3.373 8.767 1.00 60.41 C ATOM 0 H ILE A 44 -1.495 -5.964 8.447 1.00 71.35 H new ATOM 0 HA ILE A 44 -0.239 -3.739 9.769 1.00 0.44 H new ATOM 0 HB ILE A 44 -2.849 -5.243 10.296 1.00 41.32 H new ATOM 0 HG12 ILE A 44 -2.313 -2.707 8.647 1.00 54.22 H new ATOM 0 HG13 ILE A 44 -2.592 -4.292 7.953 1.00 54.22 H new ATOM 0 HG21 ILE A 44 -3.594 -3.188 11.426 1.00 54.23 H new ATOM 0 HG22 ILE A 44 -2.186 -3.916 12.235 1.00 54.23 H new ATOM 0 HG23 ILE A 44 -1.977 -2.479 11.206 1.00 54.23 H new ATOM 0 HD11 ILE A 44 -4.599 -2.910 7.817 1.00 60.41 H new ATOM 0 HD12 ILE A 44 -4.880 -4.310 8.879 1.00 60.41 H new ATOM 0 HD13 ILE A 44 -4.596 -2.701 9.584 1.00 60.41 H new ATOM 711 N LYS A 45 -0.124 -6.694 11.201 1.00 12.22 N ATOM 712 CA LYS A 45 0.558 -7.490 12.251 1.00 22.44 C ATOM 713 C LYS A 45 2.078 -7.225 12.253 1.00 44.54 C ATOM 714 O LYS A 45 2.680 -7.085 13.323 1.00 41.32 O ATOM 715 CB LYS A 45 0.269 -9.015 12.083 1.00 33.04 C ATOM 716 CG LYS A 45 -1.139 -9.470 12.542 1.00 32.01 C ATOM 717 CD LYS A 45 -1.502 -10.923 12.119 1.00 50.54 C ATOM 718 CE LYS A 45 -0.525 -12.009 12.630 1.00 24.51 C ATOM 719 NZ LYS A 45 0.661 -12.188 11.740 1.00 14.24 N ATOM 0 H LYS A 45 -0.575 -7.267 10.488 1.00 12.22 H new ATOM 0 HA LYS A 45 0.156 -7.173 13.213 1.00 22.44 H new ATOM 0 HB2 LYS A 45 0.395 -9.280 11.033 1.00 33.04 H new ATOM 0 HB3 LYS A 45 1.016 -9.575 12.645 1.00 33.04 H new ATOM 0 HG2 LYS A 45 -1.199 -9.393 13.628 1.00 32.01 H new ATOM 0 HG3 LYS A 45 -1.882 -8.786 12.132 1.00 32.01 H new ATOM 0 HD2 LYS A 45 -2.503 -11.154 12.484 1.00 50.54 H new ATOM 0 HD3 LYS A 45 -1.540 -10.971 11.031 1.00 50.54 H new ATOM 0 HE2 LYS A 45 -0.185 -11.743 13.631 1.00 24.51 H new ATOM 0 HE3 LYS A 45 -1.056 -12.957 12.715 1.00 24.51 H new ATOM 0 HZ1 LYS A 45 1.001 -13.169 11.807 1.00 14.24 H new ATOM 0 HZ2 LYS A 45 0.392 -11.982 10.757 1.00 14.24 H new ATOM 0 HZ3 LYS A 45 1.418 -11.538 12.035 1.00 14.24 H new ATOM 733 N SER A 46 2.696 -7.147 11.054 1.00 72.32 N ATOM 734 CA SER A 46 4.134 -6.842 10.937 1.00 54.12 C ATOM 735 C SER A 46 4.398 -5.342 11.200 1.00 4.35 C ATOM 736 O SER A 46 5.463 -4.981 11.704 1.00 54.21 O ATOM 737 CB SER A 46 4.677 -7.290 9.550 1.00 34.02 C ATOM 738 OG SER A 46 3.957 -6.718 8.469 1.00 73.50 O ATOM 0 H SER A 46 2.224 -7.290 10.161 1.00 72.32 H new ATOM 0 HA SER A 46 4.674 -7.406 11.698 1.00 54.12 H new ATOM 0 HB2 SER A 46 5.728 -7.012 9.469 1.00 34.02 H new ATOM 0 HB3 SER A 46 4.628 -8.377 9.479 1.00 34.02 H new ATOM 0 HG SER A 46 3.203 -6.198 8.817 1.00 73.50 H new ATOM 744 N MET A 47 3.392 -4.481 10.900 1.00 71.12 N ATOM 745 CA MET A 47 3.479 -3.014 11.131 1.00 32.00 C ATOM 746 C MET A 47 3.469 -2.644 12.628 1.00 21.34 C ATOM 747 O MET A 47 3.841 -1.519 12.993 1.00 51.54 O ATOM 748 CB MET A 47 2.345 -2.258 10.386 1.00 50.23 C ATOM 749 CG MET A 47 2.568 -2.131 8.877 1.00 24.20 C ATOM 750 SD MET A 47 4.116 -1.277 8.479 1.00 52.41 S ATOM 751 CE MET A 47 3.894 0.331 9.250 1.00 14.32 C ATOM 0 H MET A 47 2.505 -4.780 10.495 1.00 71.12 H new ATOM 0 HA MET A 47 4.441 -2.700 10.725 1.00 32.00 H new ATOM 0 HB2 MET A 47 1.402 -2.775 10.561 1.00 50.23 H new ATOM 0 HB3 MET A 47 2.246 -1.260 10.813 1.00 50.23 H new ATOM 0 HG2 MET A 47 2.578 -3.125 8.429 1.00 24.20 H new ATOM 0 HG3 MET A 47 1.733 -1.590 8.433 1.00 24.20 H new ATOM 0 HE1 MET A 47 4.660 1.017 8.888 1.00 14.32 H new ATOM 0 HE2 MET A 47 2.908 0.722 8.999 1.00 14.32 H new ATOM 0 HE3 MET A 47 3.979 0.231 10.332 1.00 14.32 H new ATOM 761 N LYS A 48 3.043 -3.595 13.480 1.00 25.30 N ATOM 762 CA LYS A 48 3.091 -3.448 14.952 1.00 63.52 C ATOM 763 C LYS A 48 4.559 -3.416 15.450 1.00 31.40 C ATOM 764 O LYS A 48 4.855 -2.883 16.523 1.00 21.41 O ATOM 765 CB LYS A 48 2.304 -4.610 15.622 1.00 54.21 C ATOM 766 CG LYS A 48 0.817 -4.701 15.186 1.00 14.13 C ATOM 767 CD LYS A 48 0.092 -5.969 15.701 1.00 40.32 C ATOM 768 CE LYS A 48 -0.107 -5.991 17.222 1.00 41.20 C ATOM 769 NZ LYS A 48 -1.033 -4.921 17.671 1.00 2.13 N ATOM 0 H LYS A 48 2.656 -4.487 13.171 1.00 25.30 H new ATOM 0 HA LYS A 48 2.624 -2.503 15.229 1.00 63.52 H new ATOM 0 HB2 LYS A 48 2.799 -5.553 15.388 1.00 54.21 H new ATOM 0 HB3 LYS A 48 2.348 -4.488 16.704 1.00 54.21 H new ATOM 0 HG2 LYS A 48 0.288 -3.819 15.547 1.00 14.13 H new ATOM 0 HG3 LYS A 48 0.765 -4.681 14.097 1.00 14.13 H new ATOM 0 HD2 LYS A 48 -0.881 -6.043 15.215 1.00 40.32 H new ATOM 0 HD3 LYS A 48 0.664 -6.849 15.406 1.00 40.32 H new ATOM 0 HE2 LYS A 48 -0.500 -6.962 17.523 1.00 41.20 H new ATOM 0 HE3 LYS A 48 0.857 -5.869 17.717 1.00 41.20 H new ATOM 0 HZ1 LYS A 48 -1.263 -5.060 18.676 1.00 2.13 H new ATOM 0 HZ2 LYS A 48 -0.580 -3.994 17.544 1.00 2.13 H new ATOM 0 HZ3 LYS A 48 -1.907 -4.959 17.108 1.00 2.13 H new ATOM 783 N ASP A 49 5.468 -4.005 14.651 1.00 12.32 N ATOM 784 CA ASP A 49 6.922 -4.032 14.933 1.00 0.43 C ATOM 785 C ASP A 49 7.676 -2.928 14.172 1.00 61.21 C ATOM 786 O ASP A 49 8.878 -2.738 14.386 1.00 70.44 O ATOM 787 CB ASP A 49 7.498 -5.420 14.551 1.00 53.24 C ATOM 788 CG ASP A 49 6.886 -6.558 15.375 1.00 0.42 C ATOM 789 OD1 ASP A 49 7.400 -6.848 16.476 1.00 2.51 O ATOM 790 OD2 ASP A 49 5.877 -7.151 14.937 1.00 53.41 O ATOM 0 H ASP A 49 5.216 -4.480 13.784 1.00 12.32 H new ATOM 0 HA ASP A 49 7.059 -3.850 15.999 1.00 0.43 H new ATOM 0 HB2 ASP A 49 7.318 -5.605 13.492 1.00 53.24 H new ATOM 0 HB3 ASP A 49 8.579 -5.413 14.694 1.00 53.24 H new ATOM 795 N ASN A 50 6.970 -2.198 13.287 1.00 33.10 N ATOM 796 CA ASN A 50 7.590 -1.218 12.367 1.00 15.43 C ATOM 797 C ASN A 50 7.309 0.222 12.801 1.00 65.23 C ATOM 798 O ASN A 50 6.159 0.671 12.771 1.00 44.11 O ATOM 799 CB ASN A 50 7.069 -1.415 10.912 1.00 42.11 C ATOM 800 CG ASN A 50 7.333 -2.803 10.348 1.00 4.01 C ATOM 801 OD1 ASN A 50 8.307 -3.464 10.708 1.00 62.45 O ATOM 802 ND2 ASN A 50 6.474 -3.254 9.451 1.00 0.11 N ATOM 0 H ASN A 50 5.957 -2.269 13.188 1.00 33.10 H new ATOM 0 HA ASN A 50 8.665 -1.393 12.400 1.00 15.43 H new ATOM 0 HB2 ASN A 50 5.996 -1.222 10.891 1.00 42.11 H new ATOM 0 HB3 ASN A 50 7.539 -0.675 10.264 1.00 42.11 H new ATOM 0 HD21 ASN A 50 6.608 -4.176 9.035 1.00 0.11 H new ATOM 0 HD22 ASN A 50 5.677 -2.681 9.175 1.00 0.11 H new ATOM 809 N GLY A 51 8.371 0.943 13.199 1.00 4.24 N ATOM 810 CA GLY A 51 8.364 2.415 13.247 1.00 73.14 C ATOM 811 C GLY A 51 8.866 2.982 11.923 1.00 52.34 C ATOM 812 O GLY A 51 9.612 3.966 11.884 1.00 41.05 O ATOM 0 H GLY A 51 9.253 0.525 13.495 1.00 4.24 H new ATOM 0 HA2 GLY A 51 7.355 2.776 13.448 1.00 73.14 H new ATOM 0 HA3 GLY A 51 8.995 2.764 14.064 1.00 73.14 H new ATOM 816 N LYS A 52 8.425 2.331 10.838 1.00 4.33 N ATOM 817 CA LYS A 52 8.967 2.463 9.487 1.00 61.41 C ATOM 818 C LYS A 52 7.843 2.785 8.475 1.00 32.13 C ATOM 819 O LYS A 52 6.648 2.668 8.814 1.00 61.14 O ATOM 820 CB LYS A 52 9.637 1.111 9.120 1.00 71.24 C ATOM 821 CG LYS A 52 10.893 0.760 9.947 1.00 20.04 C ATOM 822 CD LYS A 52 11.360 -0.693 9.726 1.00 44.33 C ATOM 823 CE LYS A 52 11.453 -1.075 8.238 1.00 74.10 C ATOM 824 NZ LYS A 52 12.115 -2.391 8.050 1.00 72.44 N ATOM 0 H LYS A 52 7.648 1.671 10.884 1.00 4.33 H new ATOM 0 HA LYS A 52 9.689 3.279 9.451 1.00 61.41 H new ATOM 0 HB2 LYS A 52 8.904 0.314 9.244 1.00 71.24 H new ATOM 0 HB3 LYS A 52 9.909 1.132 8.065 1.00 71.24 H new ATOM 0 HG2 LYS A 52 11.701 1.442 9.682 1.00 20.04 H new ATOM 0 HG3 LYS A 52 10.681 0.913 11.005 1.00 20.04 H new ATOM 0 HD2 LYS A 52 12.336 -0.830 10.192 1.00 44.33 H new ATOM 0 HD3 LYS A 52 10.669 -1.371 10.227 1.00 44.33 H new ATOM 0 HE2 LYS A 52 10.452 -1.106 7.807 1.00 74.10 H new ATOM 0 HE3 LYS A 52 12.009 -0.308 7.699 1.00 74.10 H new ATOM 0 HZ1 LYS A 52 12.160 -2.615 7.035 1.00 72.44 H new ATOM 0 HZ2 LYS A 52 13.079 -2.354 8.439 1.00 72.44 H new ATOM 0 HZ3 LYS A 52 11.571 -3.127 8.543 1.00 72.44 H new ATOM 838 N PRO A 53 8.204 3.196 7.214 1.00 70.33 N ATOM 839 CA PRO A 53 7.239 3.317 6.119 1.00 32.21 C ATOM 840 C PRO A 53 6.994 1.960 5.425 1.00 44.40 C ATOM 841 O PRO A 53 7.927 1.169 5.230 1.00 10.31 O ATOM 842 CB PRO A 53 7.927 4.333 5.175 1.00 52.53 C ATOM 843 CG PRO A 53 9.394 4.060 5.330 1.00 3.10 C ATOM 844 CD PRO A 53 9.577 3.598 6.768 1.00 74.42 C ATOM 0 HA PRO A 53 6.249 3.637 6.445 1.00 32.21 H new ATOM 0 HB2 PRO A 53 7.605 4.196 4.143 1.00 52.53 H new ATOM 0 HB3 PRO A 53 7.683 5.359 5.451 1.00 52.53 H new ATOM 0 HG2 PRO A 53 9.726 3.295 4.628 1.00 3.10 H new ATOM 0 HG3 PRO A 53 9.982 4.955 5.128 1.00 3.10 H new ATOM 0 HD2 PRO A 53 10.274 2.763 6.830 1.00 74.42 H new ATOM 0 HD3 PRO A 53 9.979 4.396 7.393 1.00 74.42 H new ATOM 852 N LEU A 54 5.736 1.678 5.107 1.00 74.32 N ATOM 853 CA LEU A 54 5.351 0.516 4.292 1.00 54.40 C ATOM 854 C LEU A 54 4.491 1.021 3.129 1.00 72.10 C ATOM 855 O LEU A 54 4.093 2.182 3.123 1.00 31.03 O ATOM 856 CB LEU A 54 4.592 -0.537 5.156 1.00 64.54 C ATOM 857 CG LEU A 54 4.691 -2.018 4.659 1.00 31.25 C ATOM 858 CD1 LEU A 54 6.133 -2.539 4.788 1.00 0.22 C ATOM 859 CD2 LEU A 54 3.704 -2.939 5.394 1.00 21.23 C ATOM 0 H LEU A 54 4.945 2.248 5.406 1.00 74.32 H new ATOM 0 HA LEU A 54 6.236 0.016 3.899 1.00 54.40 H new ATOM 0 HB2 LEU A 54 4.975 -0.488 6.175 1.00 64.54 H new ATOM 0 HB3 LEU A 54 3.540 -0.256 5.197 1.00 64.54 H new ATOM 0 HG LEU A 54 4.413 -2.028 3.605 1.00 31.25 H new ATOM 0 HD11 LEU A 54 6.180 -3.570 4.437 1.00 0.22 H new ATOM 0 HD12 LEU A 54 6.799 -1.920 4.186 1.00 0.22 H new ATOM 0 HD13 LEU A 54 6.443 -2.496 5.832 1.00 0.22 H new ATOM 0 HD21 LEU A 54 3.807 -3.957 5.018 1.00 21.23 H new ATOM 0 HD22 LEU A 54 3.919 -2.924 6.463 1.00 21.23 H new ATOM 0 HD23 LEU A 54 2.685 -2.590 5.224 1.00 21.23 H new ATOM 871 N VAL A 55 4.196 0.157 2.147 1.00 75.43 N ATOM 872 CA VAL A 55 3.432 0.526 0.936 1.00 4.22 C ATOM 873 C VAL A 55 2.580 -0.683 0.531 1.00 62.43 C ATOM 874 O VAL A 55 3.128 -1.704 0.112 1.00 44.02 O ATOM 875 CB VAL A 55 4.350 0.956 -0.281 1.00 61.21 C ATOM 876 CG1 VAL A 55 3.494 1.356 -1.503 1.00 30.42 C ATOM 877 CG2 VAL A 55 5.321 2.102 0.089 1.00 13.24 C ATOM 0 H VAL A 55 4.480 -0.823 2.166 1.00 75.43 H new ATOM 0 HA VAL A 55 2.819 1.394 1.178 1.00 4.22 H new ATOM 0 HB VAL A 55 4.954 0.086 -0.539 1.00 61.21 H new ATOM 0 HG11 VAL A 55 4.147 1.647 -2.325 1.00 30.42 H new ATOM 0 HG12 VAL A 55 2.880 0.509 -1.810 1.00 30.42 H new ATOM 0 HG13 VAL A 55 2.850 2.194 -1.237 1.00 30.42 H new ATOM 0 HG21 VAL A 55 5.928 2.359 -0.779 1.00 13.24 H new ATOM 0 HG22 VAL A 55 4.750 2.975 0.404 1.00 13.24 H new ATOM 0 HG23 VAL A 55 5.971 1.780 0.903 1.00 13.24 H new ATOM 887 N VAL A 56 1.252 -0.583 0.691 1.00 73.34 N ATOM 888 CA VAL A 56 0.315 -1.668 0.349 1.00 12.41 C ATOM 889 C VAL A 56 -0.449 -1.338 -0.936 1.00 13.42 C ATOM 890 O VAL A 56 -1.228 -0.391 -0.989 1.00 63.12 O ATOM 891 CB VAL A 56 -0.686 -1.969 1.517 1.00 62.01 C ATOM 892 CG1 VAL A 56 -1.776 -3.001 1.115 1.00 50.21 C ATOM 893 CG2 VAL A 56 0.089 -2.455 2.755 1.00 22.50 C ATOM 0 H VAL A 56 0.796 0.251 1.061 1.00 73.34 H new ATOM 0 HA VAL A 56 0.909 -2.567 0.186 1.00 12.41 H new ATOM 0 HB VAL A 56 -1.206 -1.040 1.752 1.00 62.01 H new ATOM 0 HG11 VAL A 56 -2.443 -3.174 1.960 1.00 50.21 H new ATOM 0 HG12 VAL A 56 -2.350 -2.615 0.273 1.00 50.21 H new ATOM 0 HG13 VAL A 56 -1.301 -3.940 0.830 1.00 50.21 H new ATOM 0 HG21 VAL A 56 -0.611 -2.663 3.564 1.00 22.50 H new ATOM 0 HG22 VAL A 56 0.637 -3.364 2.507 1.00 22.50 H new ATOM 0 HG23 VAL A 56 0.790 -1.683 3.071 1.00 22.50 H new ATOM 903 N PHE A 57 -0.211 -2.161 -1.954 1.00 2.14 N ATOM 904 CA PHE A 57 -0.897 -2.106 -3.236 1.00 62.13 C ATOM 905 C PHE A 57 -2.166 -2.967 -3.154 1.00 73.11 C ATOM 906 O PHE A 57 -2.085 -4.162 -2.824 1.00 54.52 O ATOM 907 CB PHE A 57 0.045 -2.634 -4.341 1.00 60.14 C ATOM 908 CG PHE A 57 1.279 -1.767 -4.592 1.00 32.50 C ATOM 909 CD1 PHE A 57 2.457 -1.958 -3.868 1.00 33.23 C ATOM 910 CD2 PHE A 57 1.254 -0.754 -5.545 1.00 10.13 C ATOM 911 CE1 PHE A 57 3.563 -1.164 -4.099 1.00 43.13 C ATOM 912 CE2 PHE A 57 2.360 0.034 -5.769 1.00 32.50 C ATOM 913 CZ PHE A 57 3.516 -0.169 -5.045 1.00 51.15 C ATOM 0 H PHE A 57 0.485 -2.905 -1.905 1.00 2.14 H new ATOM 0 HA PHE A 57 -1.175 -1.080 -3.475 1.00 62.13 H new ATOM 0 HB2 PHE A 57 0.371 -3.639 -4.073 1.00 60.14 H new ATOM 0 HB3 PHE A 57 -0.518 -2.719 -5.270 1.00 60.14 H new ATOM 0 HD1 PHE A 57 2.504 -2.735 -3.119 1.00 33.23 H new ATOM 0 HD2 PHE A 57 0.354 -0.583 -6.117 1.00 10.13 H new ATOM 0 HE1 PHE A 57 4.469 -1.326 -3.534 1.00 43.13 H new ATOM 0 HE2 PHE A 57 2.322 0.814 -6.515 1.00 32.50 H new ATOM 0 HZ PHE A 57 4.382 0.452 -5.221 1.00 51.15 H new ATOM 923 N VAL A 58 -3.332 -2.357 -3.429 1.00 34.31 N ATOM 924 CA VAL A 58 -4.618 -3.072 -3.476 1.00 31.25 C ATOM 925 C VAL A 58 -4.683 -3.878 -4.792 1.00 42.32 C ATOM 926 O VAL A 58 -5.192 -3.403 -5.812 1.00 21.55 O ATOM 927 CB VAL A 58 -5.836 -2.071 -3.360 1.00 1.24 C ATOM 928 CG1 VAL A 58 -7.198 -2.802 -3.437 1.00 43.21 C ATOM 929 CG2 VAL A 58 -5.739 -1.225 -2.067 1.00 24.01 C ATOM 0 H VAL A 58 -3.409 -1.359 -3.624 1.00 34.31 H new ATOM 0 HA VAL A 58 -4.687 -3.751 -2.626 1.00 31.25 H new ATOM 0 HB VAL A 58 -5.780 -1.399 -4.216 1.00 1.24 H new ATOM 0 HG11 VAL A 58 -8.006 -2.075 -3.353 1.00 43.21 H new ATOM 0 HG12 VAL A 58 -7.277 -3.324 -4.390 1.00 43.21 H new ATOM 0 HG13 VAL A 58 -7.271 -3.522 -2.622 1.00 43.21 H new ATOM 0 HG21 VAL A 58 -6.589 -0.545 -2.012 1.00 24.01 H new ATOM 0 HG22 VAL A 58 -5.746 -1.885 -1.199 1.00 24.01 H new ATOM 0 HG23 VAL A 58 -4.814 -0.649 -2.078 1.00 24.01 H new ATOM 939 N ASN A 59 -4.098 -5.080 -4.776 1.00 63.44 N ATOM 940 CA ASN A 59 -4.001 -5.931 -5.964 1.00 73.23 C ATOM 941 C ASN A 59 -5.117 -6.983 -5.966 1.00 74.31 C ATOM 942 O ASN A 59 -5.006 -8.007 -5.291 1.00 61.52 O ATOM 943 CB ASN A 59 -2.596 -6.589 -6.021 1.00 31.03 C ATOM 944 CG ASN A 59 -2.366 -7.405 -7.299 1.00 52.42 C ATOM 945 OD1 ASN A 59 -2.603 -8.612 -7.346 1.00 61.33 O ATOM 946 ND2 ASN A 59 -1.925 -6.746 -8.353 1.00 5.14 N ATOM 0 H ASN A 59 -3.680 -5.489 -3.940 1.00 63.44 H new ATOM 0 HA ASN A 59 -4.129 -5.320 -6.857 1.00 73.23 H new ATOM 0 HB2 ASN A 59 -1.834 -5.812 -5.951 1.00 31.03 H new ATOM 0 HB3 ASN A 59 -2.470 -7.238 -5.155 1.00 31.03 H new ATOM 0 HD21 ASN A 59 -1.773 -7.237 -9.234 1.00 5.14 H new ATOM 0 HD22 ASN A 59 -1.736 -5.746 -8.287 1.00 5.14 H new ATOM 953 N GLY A 60 -6.206 -6.689 -6.702 1.00 24.23 N ATOM 954 CA GLY A 60 -7.313 -7.634 -6.880 1.00 72.15 C ATOM 955 C GLY A 60 -8.138 -7.846 -5.612 1.00 24.11 C ATOM 956 O GLY A 60 -8.562 -8.971 -5.319 1.00 52.12 O ATOM 0 H GLY A 60 -6.338 -5.799 -7.183 1.00 24.23 H new ATOM 0 HA2 GLY A 60 -7.966 -7.272 -7.674 1.00 72.15 H new ATOM 0 HA3 GLY A 60 -6.913 -8.593 -7.209 1.00 72.15 H new ATOM 960 N ALA A 61 -8.354 -6.757 -4.854 1.00 30.52 N ATOM 961 CA ALA A 61 -9.179 -6.762 -3.628 1.00 43.14 C ATOM 962 C ALA A 61 -10.470 -5.968 -3.857 1.00 15.45 C ATOM 963 O ALA A 61 -10.506 -5.048 -4.684 1.00 41.32 O ATOM 964 CB ALA A 61 -8.387 -6.186 -2.440 1.00 22.04 C ATOM 0 H ALA A 61 -7.960 -5.842 -5.074 1.00 30.52 H new ATOM 0 HA ALA A 61 -9.444 -7.792 -3.389 1.00 43.14 H new ATOM 0 HB1 ALA A 61 -9.011 -6.198 -1.547 1.00 22.04 H new ATOM 0 HB2 ALA A 61 -7.497 -6.791 -2.269 1.00 22.04 H new ATOM 0 HB3 ALA A 61 -8.092 -5.161 -2.663 1.00 22.04 H new ATOM 970 N SER A 62 -11.532 -6.345 -3.136 1.00 32.30 N ATOM 971 CA SER A 62 -12.813 -5.627 -3.147 1.00 52.33 C ATOM 972 C SER A 62 -12.716 -4.398 -2.222 1.00 22.55 C ATOM 973 O SER A 62 -11.834 -4.339 -1.353 1.00 22.55 O ATOM 974 CB SER A 62 -13.948 -6.579 -2.683 1.00 42.34 C ATOM 975 OG SER A 62 -15.219 -5.940 -2.697 1.00 1.42 O ATOM 0 H SER A 62 -11.527 -7.162 -2.525 1.00 32.30 H new ATOM 0 HA SER A 62 -13.040 -5.287 -4.157 1.00 52.33 H new ATOM 0 HB2 SER A 62 -13.975 -7.454 -3.332 1.00 42.34 H new ATOM 0 HB3 SER A 62 -13.733 -6.936 -1.676 1.00 42.34 H new ATOM 0 HG SER A 62 -15.896 -6.565 -3.032 1.00 1.42 H new ATOM 981 N GLN A 63 -13.632 -3.428 -2.404 1.00 51.42 N ATOM 982 CA GLN A 63 -13.716 -2.228 -1.547 1.00 61.25 C ATOM 983 C GLN A 63 -14.101 -2.617 -0.106 1.00 40.03 C ATOM 984 O GLN A 63 -13.788 -1.891 0.835 1.00 24.31 O ATOM 985 CB GLN A 63 -14.711 -1.186 -2.137 1.00 31.42 C ATOM 986 CG GLN A 63 -14.845 0.141 -1.336 1.00 74.44 C ATOM 987 CD GLN A 63 -13.516 0.884 -1.136 1.00 54.34 C ATOM 988 OE1 GLN A 63 -12.599 0.790 -1.953 1.00 4.30 O ATOM 989 NE2 GLN A 63 -13.398 1.632 -0.053 1.00 34.24 N ATOM 0 H GLN A 63 -14.332 -3.453 -3.145 1.00 51.42 H new ATOM 0 HA GLN A 63 -12.732 -1.760 -1.518 1.00 61.25 H new ATOM 0 HB2 GLN A 63 -14.399 -0.946 -3.153 1.00 31.42 H new ATOM 0 HB3 GLN A 63 -15.695 -1.649 -2.207 1.00 31.42 H new ATOM 0 HG2 GLN A 63 -15.543 0.798 -1.855 1.00 74.44 H new ATOM 0 HG3 GLN A 63 -15.278 -0.077 -0.360 1.00 74.44 H new ATOM 0 HE21 GLN A 63 -14.171 1.695 0.610 1.00 34.24 H new ATOM 0 HE22 GLN A 63 -12.534 2.146 0.120 1.00 34.24 H new ATOM 998 N ASN A 64 -14.754 -3.790 0.053 1.00 54.11 N ATOM 999 CA ASN A 64 -15.035 -4.370 1.380 1.00 55.24 C ATOM 1000 C ASN A 64 -13.719 -4.651 2.130 1.00 74.24 C ATOM 1001 O ASN A 64 -13.612 -4.362 3.316 1.00 65.55 O ATOM 1002 CB ASN A 64 -15.881 -5.660 1.271 1.00 75.54 C ATOM 1003 CG ASN A 64 -17.247 -5.426 0.627 1.00 64.34 C ATOM 1004 OD1 ASN A 64 -18.204 -5.046 1.299 1.00 63.31 O ATOM 1005 ND2 ASN A 64 -17.358 -5.657 -0.671 1.00 42.43 N ATOM 0 H ASN A 64 -15.096 -4.353 -0.726 1.00 54.11 H new ATOM 0 HA ASN A 64 -15.617 -3.641 1.945 1.00 55.24 H new ATOM 0 HB2 ASN A 64 -15.332 -6.399 0.688 1.00 75.54 H new ATOM 0 HB3 ASN A 64 -16.022 -6.080 2.267 1.00 75.54 H new ATOM 0 HD21 ASN A 64 -18.254 -5.520 -1.139 1.00 42.43 H new ATOM 0 HD22 ASN A 64 -16.547 -5.972 -1.204 1.00 42.43 H new ATOM 1012 N ASP A 65 -12.701 -5.165 1.399 1.00 41.32 N ATOM 1013 CA ASP A 65 -11.356 -5.429 1.971 1.00 44.13 C ATOM 1014 C ASP A 65 -10.643 -4.103 2.266 1.00 43.42 C ATOM 1015 O ASP A 65 -10.072 -3.932 3.336 1.00 13.54 O ATOM 1016 CB ASP A 65 -10.472 -6.280 1.016 1.00 12.35 C ATOM 1017 CG ASP A 65 -11.104 -7.625 0.650 1.00 50.33 C ATOM 1018 OD1 ASP A 65 -11.063 -8.560 1.477 1.00 1.21 O ATOM 1019 OD2 ASP A 65 -11.670 -7.753 -0.455 1.00 2.35 O ATOM 0 H ASP A 65 -12.785 -5.406 0.411 1.00 41.32 H new ATOM 0 HA ASP A 65 -11.502 -5.994 2.892 1.00 44.13 H new ATOM 0 HB2 ASP A 65 -10.284 -5.714 0.104 1.00 12.35 H new ATOM 0 HB3 ASP A 65 -9.505 -6.456 1.487 1.00 12.35 H new ATOM 1024 N VAL A 66 -10.723 -3.162 1.300 1.00 52.14 N ATOM 1025 CA VAL A 66 -10.055 -1.840 1.380 1.00 2.20 C ATOM 1026 C VAL A 66 -10.503 -1.066 2.640 1.00 63.51 C ATOM 1027 O VAL A 66 -9.677 -0.489 3.355 1.00 52.43 O ATOM 1028 CB VAL A 66 -10.343 -0.976 0.095 1.00 11.42 C ATOM 1029 CG1 VAL A 66 -9.707 0.432 0.194 1.00 73.21 C ATOM 1030 CG2 VAL A 66 -9.862 -1.706 -1.182 1.00 70.44 C ATOM 0 H VAL A 66 -11.254 -3.296 0.439 1.00 52.14 H new ATOM 0 HA VAL A 66 -8.982 -2.024 1.443 1.00 2.20 H new ATOM 0 HB VAL A 66 -11.423 -0.844 0.030 1.00 11.42 H new ATOM 0 HG11 VAL A 66 -9.929 0.996 -0.712 1.00 73.21 H new ATOM 0 HG12 VAL A 66 -10.117 0.956 1.057 1.00 73.21 H new ATOM 0 HG13 VAL A 66 -8.627 0.336 0.306 1.00 73.21 H new ATOM 0 HG21 VAL A 66 -10.072 -1.088 -2.055 1.00 70.44 H new ATOM 0 HG22 VAL A 66 -8.789 -1.887 -1.115 1.00 70.44 H new ATOM 0 HG23 VAL A 66 -10.385 -2.658 -1.276 1.00 70.44 H new ATOM 1040 N ASN A 67 -11.825 -1.101 2.897 1.00 10.22 N ATOM 1041 CA ASN A 67 -12.436 -0.505 4.100 1.00 61.42 C ATOM 1042 C ASN A 67 -11.893 -1.177 5.369 1.00 40.14 C ATOM 1043 O ASN A 67 -11.608 -0.493 6.344 1.00 23.31 O ATOM 1044 CB ASN A 67 -13.987 -0.599 4.050 1.00 74.32 C ATOM 1045 CG ASN A 67 -14.611 0.296 2.977 1.00 71.04 C ATOM 1046 OD1 ASN A 67 -14.120 1.388 2.695 1.00 4.43 O ATOM 1047 ND2 ASN A 67 -15.684 -0.166 2.359 1.00 54.32 N ATOM 0 H ASN A 67 -12.500 -1.545 2.274 1.00 10.22 H new ATOM 0 HA ASN A 67 -12.167 0.551 4.125 1.00 61.42 H new ATOM 0 HB2 ASN A 67 -14.276 -1.633 3.864 1.00 74.32 H new ATOM 0 HB3 ASN A 67 -14.393 -0.325 5.024 1.00 74.32 H new ATOM 0 HD21 ASN A 67 -16.128 0.387 1.626 1.00 54.32 H new ATOM 0 HD22 ASN A 67 -16.068 -1.076 2.615 1.00 54.32 H new ATOM 1054 N GLU A 68 -11.717 -2.516 5.326 1.00 11.12 N ATOM 1055 CA GLU A 68 -11.179 -3.287 6.464 1.00 12.42 C ATOM 1056 C GLU A 68 -9.696 -2.980 6.705 1.00 53.14 C ATOM 1057 O GLU A 68 -9.251 -3.057 7.840 1.00 62.05 O ATOM 1058 CB GLU A 68 -11.400 -4.811 6.276 1.00 64.32 C ATOM 1059 CG GLU A 68 -12.881 -5.238 6.219 1.00 33.33 C ATOM 1060 CD GLU A 68 -13.696 -4.877 7.484 1.00 72.52 C ATOM 1061 OE1 GLU A 68 -14.157 -3.718 7.613 1.00 71.31 O ATOM 1062 OE2 GLU A 68 -13.889 -5.749 8.353 1.00 63.01 O ATOM 0 H GLU A 68 -11.942 -3.086 4.510 1.00 11.12 H new ATOM 0 HA GLU A 68 -11.733 -2.974 7.349 1.00 12.42 H new ATOM 0 HB2 GLU A 68 -10.908 -5.126 5.356 1.00 64.32 H new ATOM 0 HB3 GLU A 68 -10.913 -5.340 7.095 1.00 64.32 H new ATOM 0 HG2 GLU A 68 -13.349 -4.770 5.353 1.00 33.33 H new ATOM 0 HG3 GLU A 68 -12.931 -6.316 6.064 1.00 33.33 H new ATOM 1069 N PHE A 69 -8.937 -2.626 5.641 1.00 12.01 N ATOM 1070 CA PHE A 69 -7.538 -2.181 5.790 1.00 63.51 C ATOM 1071 C PHE A 69 -7.514 -0.908 6.628 1.00 42.20 C ATOM 1072 O PHE A 69 -6.769 -0.810 7.603 1.00 51.13 O ATOM 1073 CB PHE A 69 -6.842 -1.938 4.419 1.00 54.42 C ATOM 1074 CG PHE A 69 -5.368 -1.523 4.553 1.00 30.11 C ATOM 1075 CD1 PHE A 69 -4.365 -2.485 4.686 1.00 71.04 C ATOM 1076 CD2 PHE A 69 -4.989 -0.174 4.577 1.00 33.43 C ATOM 1077 CE1 PHE A 69 -3.045 -2.119 4.842 1.00 44.04 C ATOM 1078 CE2 PHE A 69 -3.668 0.188 4.727 1.00 4.32 C ATOM 1079 CZ PHE A 69 -2.696 -0.782 4.860 1.00 33.05 C ATOM 0 H PHE A 69 -9.271 -2.641 4.677 1.00 12.01 H new ATOM 0 HA PHE A 69 -6.980 -2.974 6.287 1.00 63.51 H new ATOM 0 HB2 PHE A 69 -6.904 -2.847 3.821 1.00 54.42 H new ATOM 0 HB3 PHE A 69 -7.383 -1.163 3.877 1.00 54.42 H new ATOM 0 HD1 PHE A 69 -4.627 -3.532 4.666 1.00 71.04 H new ATOM 0 HD2 PHE A 69 -5.743 0.593 4.477 1.00 33.43 H new ATOM 0 HE1 PHE A 69 -2.284 -2.877 4.950 1.00 44.04 H new ATOM 0 HE2 PHE A 69 -3.393 1.232 4.740 1.00 4.32 H new ATOM 0 HZ PHE A 69 -1.661 -0.496 4.978 1.00 33.05 H new ATOM 1089 N GLN A 70 -8.335 0.059 6.191 1.00 53.12 N ATOM 1090 CA GLN A 70 -8.524 1.338 6.876 1.00 73.31 C ATOM 1091 C GLN A 70 -8.915 1.131 8.356 1.00 72.44 C ATOM 1092 O GLN A 70 -8.257 1.672 9.247 1.00 52.15 O ATOM 1093 CB GLN A 70 -9.587 2.176 6.116 1.00 65.30 C ATOM 1094 CG GLN A 70 -9.206 2.468 4.645 1.00 21.23 C ATOM 1095 CD GLN A 70 -10.272 3.248 3.873 1.00 70.35 C ATOM 1096 OE1 GLN A 70 -10.370 3.013 2.572 1.00 42.23 O flip ATOM 1097 NE2 GLN A 70 -11.006 4.053 4.446 1.00 15.52 N flip ATOM 0 H GLN A 70 -8.891 -0.031 5.341 1.00 53.12 H new ATOM 0 HA GLN A 70 -7.581 1.884 6.876 1.00 73.31 H new ATOM 0 HB2 GLN A 70 -10.539 1.646 6.138 1.00 65.30 H new ATOM 0 HB3 GLN A 70 -9.735 3.121 6.639 1.00 65.30 H new ATOM 0 HG2 GLN A 70 -8.273 3.031 4.626 1.00 21.23 H new ATOM 0 HG3 GLN A 70 -9.019 1.524 4.134 1.00 21.23 H new ATOM 0 HE21 GLN A 70 -10.905 4.211 5.449 1.00 15.52 H new ATOM 0 HE22 GLN A 70 -11.715 4.562 3.918 1.00 15.52 H new ATOM 1106 N ASN A 71 -9.943 0.286 8.596 1.00 73.22 N ATOM 1107 CA ASN A 71 -10.484 0.029 9.948 1.00 2.02 C ATOM 1108 C ASN A 71 -9.424 -0.621 10.859 1.00 25.04 C ATOM 1109 O ASN A 71 -9.089 -0.066 11.917 1.00 12.13 O ATOM 1110 CB ASN A 71 -11.779 -0.844 9.903 1.00 74.12 C ATOM 1111 CG ASN A 71 -13.026 -0.069 9.459 1.00 34.44 C ATOM 1112 OD1 ASN A 71 -13.562 0.742 10.222 1.00 71.24 O ATOM 1113 ND2 ASN A 71 -13.534 -0.345 8.271 1.00 53.54 N ATOM 0 H ASN A 71 -10.419 -0.235 7.860 1.00 73.22 H new ATOM 0 HA ASN A 71 -10.754 0.997 10.371 1.00 2.02 H new ATOM 0 HB2 ASN A 71 -11.620 -1.681 9.223 1.00 74.12 H new ATOM 0 HB3 ASN A 71 -11.957 -1.267 10.892 1.00 74.12 H new ATOM 0 HD21 ASN A 71 -14.390 0.116 7.963 1.00 53.54 H new ATOM 0 HD22 ASN A 71 -13.070 -1.019 7.662 1.00 53.54 H new ATOM 1120 N GLU A 72 -8.929 -1.809 10.458 1.00 3.41 N ATOM 1121 CA GLU A 72 -7.893 -2.546 11.211 1.00 32.54 C ATOM 1122 C GLU A 72 -6.664 -1.684 11.534 1.00 44.31 C ATOM 1123 O GLU A 72 -6.220 -1.683 12.671 1.00 2.34 O ATOM 1124 CB GLU A 72 -7.476 -3.845 10.478 1.00 73.43 C ATOM 1125 CG GLU A 72 -8.614 -4.870 10.300 1.00 24.15 C ATOM 1126 CD GLU A 72 -9.349 -5.202 11.611 1.00 64.04 C ATOM 1127 OE1 GLU A 72 -8.726 -5.770 12.524 1.00 4.32 O ATOM 1128 OE2 GLU A 72 -10.553 -4.888 11.738 1.00 50.21 O ATOM 0 H GLU A 72 -9.234 -2.283 9.608 1.00 3.41 H new ATOM 0 HA GLU A 72 -8.347 -2.819 12.163 1.00 32.54 H new ATOM 0 HB2 GLU A 72 -7.083 -3.583 9.496 1.00 73.43 H new ATOM 0 HB3 GLU A 72 -6.663 -4.315 11.032 1.00 73.43 H new ATOM 0 HG2 GLU A 72 -9.332 -4.482 9.578 1.00 24.15 H new ATOM 0 HG3 GLU A 72 -8.203 -5.788 9.880 1.00 24.15 H new ATOM 1135 N ALA A 73 -6.152 -0.929 10.547 1.00 13.23 N ATOM 1136 CA ALA A 73 -4.981 -0.053 10.744 1.00 61.11 C ATOM 1137 C ALA A 73 -5.228 0.969 11.873 1.00 35.21 C ATOM 1138 O ALA A 73 -4.487 0.995 12.860 1.00 33.12 O ATOM 1139 CB ALA A 73 -4.604 0.647 9.423 1.00 50.25 C ATOM 0 H ALA A 73 -6.532 -0.907 9.601 1.00 13.23 H new ATOM 0 HA ALA A 73 -4.139 -0.674 11.051 1.00 61.11 H new ATOM 0 HB1 ALA A 73 -3.739 1.289 9.586 1.00 50.25 H new ATOM 0 HB2 ALA A 73 -4.363 -0.103 8.670 1.00 50.25 H new ATOM 0 HB3 ALA A 73 -5.444 1.250 9.078 1.00 50.25 H new ATOM 1145 N LYS A 74 -6.305 1.766 11.735 1.00 33.23 N ATOM 1146 CA LYS A 74 -6.620 2.858 12.685 1.00 3.52 C ATOM 1147 C LYS A 74 -6.973 2.340 14.096 1.00 13.54 C ATOM 1148 O LYS A 74 -6.807 3.078 15.071 1.00 4.33 O ATOM 1149 CB LYS A 74 -7.754 3.758 12.124 1.00 31.13 C ATOM 1150 CG LYS A 74 -9.157 3.105 12.029 1.00 51.31 C ATOM 1151 CD LYS A 74 -10.070 3.761 10.961 1.00 62.24 C ATOM 1152 CE LYS A 74 -10.274 5.268 11.162 1.00 52.31 C ATOM 1153 NZ LYS A 74 -11.087 5.863 10.067 1.00 41.23 N ATOM 0 H LYS A 74 -6.976 1.676 10.972 1.00 33.23 H new ATOM 0 HA LYS A 74 -5.715 3.456 12.793 1.00 3.52 H new ATOM 0 HB2 LYS A 74 -7.830 4.646 12.752 1.00 31.13 H new ATOM 0 HB3 LYS A 74 -7.464 4.095 11.129 1.00 31.13 H new ATOM 0 HG2 LYS A 74 -9.042 2.046 11.797 1.00 51.31 H new ATOM 0 HG3 LYS A 74 -9.645 3.167 13.002 1.00 51.31 H new ATOM 0 HD2 LYS A 74 -9.639 3.591 9.974 1.00 62.24 H new ATOM 0 HD3 LYS A 74 -11.042 3.267 10.974 1.00 62.24 H new ATOM 0 HE2 LYS A 74 -10.766 5.444 12.118 1.00 52.31 H new ATOM 0 HE3 LYS A 74 -9.304 5.764 11.206 1.00 52.31 H new ATOM 0 HZ1 LYS A 74 -11.333 6.844 10.311 1.00 41.23 H new ATOM 0 HZ2 LYS A 74 -10.539 5.853 9.183 1.00 41.23 H new ATOM 0 HZ3 LYS A 74 -11.958 5.309 9.941 1.00 41.23 H new ATOM 1167 N LYS A 75 -7.446 1.075 14.218 1.00 10.11 N ATOM 1168 CA LYS A 75 -7.789 0.495 15.540 1.00 32.34 C ATOM 1169 C LYS A 75 -6.549 -0.176 16.181 1.00 12.31 C ATOM 1170 O LYS A 75 -6.511 -0.367 17.399 1.00 73.22 O ATOM 1171 CB LYS A 75 -8.990 -0.495 15.444 1.00 1.32 C ATOM 1172 CG LYS A 75 -8.684 -1.859 14.783 1.00 0.32 C ATOM 1173 CD LYS A 75 -9.928 -2.773 14.650 1.00 11.35 C ATOM 1174 CE LYS A 75 -11.018 -2.179 13.738 1.00 62.25 C ATOM 1175 NZ LYS A 75 -12.132 -3.137 13.509 1.00 12.42 N ATOM 0 H LYS A 75 -7.597 0.445 13.430 1.00 10.11 H new ATOM 0 HA LYS A 75 -8.104 1.312 16.189 1.00 32.34 H new ATOM 0 HB2 LYS A 75 -9.369 -0.676 16.450 1.00 1.32 H new ATOM 0 HB3 LYS A 75 -9.791 -0.012 14.884 1.00 1.32 H new ATOM 0 HG2 LYS A 75 -8.261 -1.688 13.793 1.00 0.32 H new ATOM 0 HG3 LYS A 75 -7.924 -2.376 15.369 1.00 0.32 H new ATOM 0 HD2 LYS A 75 -9.620 -3.741 14.255 1.00 11.35 H new ATOM 0 HD3 LYS A 75 -10.348 -2.952 15.640 1.00 11.35 H new ATOM 0 HE2 LYS A 75 -11.410 -1.267 14.188 1.00 62.25 H new ATOM 0 HE3 LYS A 75 -10.578 -1.899 12.781 1.00 62.25 H new ATOM 0 HZ1 LYS A 75 -12.938 -2.637 13.082 1.00 12.42 H new ATOM 0 HZ2 LYS A 75 -11.814 -3.892 12.868 1.00 12.42 H new ATOM 0 HZ3 LYS A 75 -12.424 -3.553 14.416 1.00 12.42 H new ATOM 1189 N GLU A 76 -5.548 -0.550 15.348 1.00 33.41 N ATOM 1190 CA GLU A 76 -4.238 -1.061 15.826 1.00 0.40 C ATOM 1191 C GLU A 76 -3.250 0.108 16.083 1.00 45.41 C ATOM 1192 O GLU A 76 -2.174 -0.101 16.644 1.00 1.14 O ATOM 1193 CB GLU A 76 -3.611 -2.050 14.794 1.00 70.12 C ATOM 1194 CG GLU A 76 -4.435 -3.329 14.492 1.00 61.34 C ATOM 1195 CD GLU A 76 -4.632 -4.283 15.681 1.00 30.40 C ATOM 1196 OE1 GLU A 76 -3.667 -4.522 16.434 1.00 53.45 O ATOM 1197 OE2 GLU A 76 -5.739 -4.846 15.830 1.00 21.51 O ATOM 0 H GLU A 76 -5.624 -0.507 14.332 1.00 33.41 H new ATOM 0 HA GLU A 76 -4.417 -1.591 16.761 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -3.452 -1.515 13.858 1.00 70.12 H new ATOM 0 HB3 GLU A 76 -2.629 -2.352 15.160 1.00 70.12 H new ATOM 0 HG2 GLU A 76 -5.416 -3.030 14.122 1.00 61.34 H new ATOM 0 HG3 GLU A 76 -3.944 -3.876 13.687 1.00 61.34 H new ATOM 1204 N GLY A 77 -3.626 1.334 15.662 1.00 32.10 N ATOM 1205 CA GLY A 77 -2.759 2.520 15.798 1.00 65.14 C ATOM 1206 C GLY A 77 -1.843 2.772 14.601 1.00 13.42 C ATOM 1207 O GLY A 77 -1.074 3.745 14.599 1.00 2.11 O ATOM 0 H GLY A 77 -4.527 1.527 15.224 1.00 32.10 H new ATOM 0 HA2 GLY A 77 -3.386 3.398 15.951 1.00 65.14 H new ATOM 0 HA3 GLY A 77 -2.146 2.406 16.692 1.00 65.14 H new ATOM 1211 N VAL A 78 -1.913 1.895 13.588 1.00 55.31 N ATOM 1212 CA VAL A 78 -1.137 2.033 12.346 1.00 74.44 C ATOM 1213 C VAL A 78 -1.791 3.111 11.457 1.00 51.41 C ATOM 1214 O VAL A 78 -2.970 3.015 11.119 1.00 4.34 O ATOM 1215 CB VAL A 78 -1.040 0.661 11.575 1.00 72.21 C ATOM 1216 CG1 VAL A 78 -0.251 0.802 10.248 1.00 63.12 C ATOM 1217 CG2 VAL A 78 -0.419 -0.437 12.479 1.00 2.11 C ATOM 0 H VAL A 78 -2.510 1.069 13.607 1.00 55.31 H new ATOM 0 HA VAL A 78 -0.121 2.336 12.598 1.00 74.44 H new ATOM 0 HB VAL A 78 -2.055 0.357 11.317 1.00 72.21 H new ATOM 0 HG11 VAL A 78 -0.206 -0.165 9.747 1.00 63.12 H new ATOM 0 HG12 VAL A 78 -0.752 1.523 9.602 1.00 63.12 H new ATOM 0 HG13 VAL A 78 0.761 1.147 10.461 1.00 63.12 H new ATOM 0 HG21 VAL A 78 -0.362 -1.375 11.926 1.00 2.11 H new ATOM 0 HG22 VAL A 78 0.583 -0.134 12.783 1.00 2.11 H new ATOM 0 HG23 VAL A 78 -1.041 -0.575 13.364 1.00 2.11 H new ATOM 1227 N SER A 79 -1.017 4.141 11.103 1.00 74.35 N ATOM 1228 CA SER A 79 -1.505 5.287 10.330 1.00 53.12 C ATOM 1229 C SER A 79 -1.446 4.964 8.828 1.00 14.02 C ATOM 1230 O SER A 79 -0.360 4.852 8.261 1.00 71.23 O ATOM 1231 CB SER A 79 -0.647 6.520 10.672 1.00 22.12 C ATOM 1232 OG SER A 79 -0.594 6.719 12.073 1.00 25.51 O ATOM 0 H SER A 79 -0.028 4.204 11.346 1.00 74.35 H new ATOM 0 HA SER A 79 -2.543 5.501 10.585 1.00 53.12 H new ATOM 0 HB2 SER A 79 0.361 6.388 10.280 1.00 22.12 H new ATOM 0 HB3 SER A 79 -1.063 7.404 10.189 1.00 22.12 H new ATOM 0 HG SER A 79 -0.044 7.505 12.271 1.00 25.51 H new ATOM 1238 N TYR A 80 -2.608 4.767 8.198 1.00 61.53 N ATOM 1239 CA TYR A 80 -2.697 4.493 6.749 1.00 1.34 C ATOM 1240 C TYR A 80 -2.837 5.826 5.984 1.00 31.34 C ATOM 1241 O TYR A 80 -3.583 6.717 6.408 1.00 32.11 O ATOM 1242 CB TYR A 80 -3.880 3.526 6.440 1.00 50.24 C ATOM 1243 CG TYR A 80 -5.273 4.060 6.833 1.00 63.14 C ATOM 1244 CD1 TYR A 80 -5.753 3.929 8.135 1.00 5.11 C ATOM 1245 CD2 TYR A 80 -6.097 4.703 5.901 1.00 62.10 C ATOM 1246 CE1 TYR A 80 -6.988 4.414 8.489 1.00 13.23 C ATOM 1247 CE2 TYR A 80 -7.334 5.190 6.257 1.00 41.14 C ATOM 1248 CZ TYR A 80 -7.777 5.044 7.554 1.00 22.25 C ATOM 1249 OH TYR A 80 -9.022 5.509 7.913 1.00 52.43 O ATOM 0 H TYR A 80 -3.512 4.791 8.669 1.00 61.53 H new ATOM 0 HA TYR A 80 -1.785 3.997 6.417 1.00 1.34 H new ATOM 0 HB2 TYR A 80 -3.880 3.304 5.373 1.00 50.24 H new ATOM 0 HB3 TYR A 80 -3.707 2.585 6.962 1.00 50.24 H new ATOM 0 HD1 TYR A 80 -5.143 3.437 8.878 1.00 5.11 H new ATOM 0 HD2 TYR A 80 -5.755 4.819 4.883 1.00 62.10 H new ATOM 0 HE1 TYR A 80 -7.341 4.301 9.503 1.00 13.23 H new ATOM 0 HE2 TYR A 80 -7.954 5.684 5.524 1.00 41.14 H new ATOM 0 HH TYR A 80 -9.450 5.929 7.138 1.00 52.43 H new ATOM 1259 N ASP A 81 -2.098 5.970 4.885 1.00 60.11 N ATOM 1260 CA ASP A 81 -2.136 7.162 4.030 1.00 55.34 C ATOM 1261 C ASP A 81 -2.639 6.728 2.648 1.00 60.33 C ATOM 1262 O ASP A 81 -1.919 6.058 1.913 1.00 5.02 O ATOM 1263 CB ASP A 81 -0.718 7.801 3.942 1.00 54.12 C ATOM 1264 CG ASP A 81 -0.739 9.227 3.372 1.00 11.12 C ATOM 1265 OD1 ASP A 81 -0.927 10.179 4.161 1.00 63.54 O ATOM 1266 OD2 ASP A 81 -0.584 9.411 2.148 1.00 42.32 O ATOM 0 H ASP A 81 -1.448 5.256 4.557 1.00 60.11 H new ATOM 0 HA ASP A 81 -2.806 7.916 4.443 1.00 55.34 H new ATOM 0 HB2 ASP A 81 -0.271 7.819 4.936 1.00 54.12 H new ATOM 0 HB3 ASP A 81 -0.081 7.175 3.317 1.00 54.12 H new ATOM 1271 N VAL A 82 -3.872 7.115 2.299 1.00 5.40 N ATOM 1272 CA VAL A 82 -4.545 6.633 1.082 1.00 71.54 C ATOM 1273 C VAL A 82 -4.130 7.491 -0.123 1.00 50.52 C ATOM 1274 O VAL A 82 -4.073 8.720 -0.034 1.00 23.35 O ATOM 1275 CB VAL A 82 -6.112 6.654 1.246 1.00 15.03 C ATOM 1276 CG1 VAL A 82 -6.832 6.205 -0.050 1.00 64.34 C ATOM 1277 CG2 VAL A 82 -6.554 5.789 2.447 1.00 50.41 C ATOM 0 H VAL A 82 -4.431 7.768 2.848 1.00 5.40 H new ATOM 0 HA VAL A 82 -4.238 5.601 0.914 1.00 71.54 H new ATOM 0 HB VAL A 82 -6.403 7.686 1.441 1.00 15.03 H new ATOM 0 HG11 VAL A 82 -7.911 6.233 0.105 1.00 64.34 H new ATOM 0 HG12 VAL A 82 -6.565 6.876 -0.866 1.00 64.34 H new ATOM 0 HG13 VAL A 82 -6.528 5.189 -0.302 1.00 64.34 H new ATOM 0 HG21 VAL A 82 -7.640 5.821 2.538 1.00 50.41 H new ATOM 0 HG22 VAL A 82 -6.233 4.759 2.291 1.00 50.41 H new ATOM 0 HG23 VAL A 82 -6.102 6.176 3.360 1.00 50.41 H new ATOM 1287 N LEU A 83 -3.832 6.815 -1.237 1.00 2.45 N ATOM 1288 CA LEU A 83 -3.428 7.433 -2.501 1.00 14.52 C ATOM 1289 C LEU A 83 -4.188 6.746 -3.645 1.00 54.43 C ATOM 1290 O LEU A 83 -4.051 5.540 -3.834 1.00 33.51 O ATOM 1291 CB LEU A 83 -1.896 7.260 -2.676 1.00 21.21 C ATOM 1292 CG LEU A 83 -1.278 7.792 -4.009 1.00 70.53 C ATOM 1293 CD1 LEU A 83 -1.452 9.316 -4.148 1.00 14.21 C ATOM 1294 CD2 LEU A 83 0.200 7.370 -4.127 1.00 50.01 C ATOM 0 H LEU A 83 -3.866 5.797 -1.284 1.00 2.45 H new ATOM 0 HA LEU A 83 -3.663 8.497 -2.507 1.00 14.52 H new ATOM 0 HB2 LEU A 83 -1.400 7.763 -1.846 1.00 21.21 H new ATOM 0 HB3 LEU A 83 -1.661 6.199 -2.592 1.00 21.21 H new ATOM 0 HG LEU A 83 -1.822 7.339 -4.838 1.00 70.53 H new ATOM 0 HD11 LEU A 83 -1.010 9.649 -5.087 1.00 14.21 H new ATOM 0 HD12 LEU A 83 -2.514 9.563 -4.139 1.00 14.21 H new ATOM 0 HD13 LEU A 83 -0.956 9.816 -3.316 1.00 14.21 H new ATOM 0 HD21 LEU A 83 0.613 7.750 -5.062 1.00 50.01 H new ATOM 0 HD22 LEU A 83 0.763 7.779 -3.288 1.00 50.01 H new ATOM 0 HD23 LEU A 83 0.270 6.282 -4.115 1.00 50.01 H new ATOM 1306 N LYS A 84 -4.999 7.513 -4.391 1.00 41.40 N ATOM 1307 CA LYS A 84 -5.746 6.996 -5.558 1.00 24.02 C ATOM 1308 C LYS A 84 -5.257 7.701 -6.823 1.00 4.32 C ATOM 1309 O LYS A 84 -5.500 8.903 -6.992 1.00 4.01 O ATOM 1310 CB LYS A 84 -7.280 7.189 -5.420 1.00 45.54 C ATOM 1311 CG LYS A 84 -7.922 6.488 -4.208 1.00 22.41 C ATOM 1312 CD LYS A 84 -9.457 6.358 -4.357 1.00 53.31 C ATOM 1313 CE LYS A 84 -10.142 5.820 -3.093 1.00 24.25 C ATOM 1314 NZ LYS A 84 -10.070 6.791 -1.973 1.00 64.23 N ATOM 0 H LYS A 84 -5.158 8.504 -4.207 1.00 41.40 H new ATOM 0 HA LYS A 84 -5.559 5.924 -5.616 1.00 24.02 H new ATOM 0 HB2 LYS A 84 -7.492 8.256 -5.356 1.00 45.54 H new ATOM 0 HB3 LYS A 84 -7.759 6.822 -6.328 1.00 45.54 H new ATOM 0 HG2 LYS A 84 -7.484 5.497 -4.089 1.00 22.41 H new ATOM 0 HG3 LYS A 84 -7.692 7.048 -3.302 1.00 22.41 H new ATOM 0 HD2 LYS A 84 -9.876 7.334 -4.603 1.00 53.31 H new ATOM 0 HD3 LYS A 84 -9.680 5.696 -5.194 1.00 53.31 H new ATOM 0 HE2 LYS A 84 -11.186 5.595 -3.313 1.00 24.25 H new ATOM 0 HE3 LYS A 84 -9.670 4.884 -2.794 1.00 24.25 H new ATOM 0 HZ1 LYS A 84 -9.655 6.329 -1.139 1.00 64.23 H new ATOM 0 HZ2 LYS A 84 -9.477 7.599 -2.252 1.00 64.23 H new ATOM 0 HZ3 LYS A 84 -11.027 7.127 -1.743 1.00 64.23 H new ATOM 1328 N SER A 85 -4.552 6.960 -7.692 1.00 51.43 N ATOM 1329 CA SER A 85 -4.054 7.478 -8.984 1.00 25.13 C ATOM 1330 C SER A 85 -3.957 6.342 -10.016 1.00 54.42 C ATOM 1331 O SER A 85 -3.709 5.194 -9.655 1.00 60.32 O ATOM 1332 CB SER A 85 -2.667 8.155 -8.817 1.00 11.02 C ATOM 1333 OG SER A 85 -2.687 9.163 -7.827 1.00 5.44 O ATOM 0 H SER A 85 -4.309 5.984 -7.522 1.00 51.43 H new ATOM 0 HA SER A 85 -4.763 8.225 -9.339 1.00 25.13 H new ATOM 0 HB2 SER A 85 -1.925 7.402 -8.553 1.00 11.02 H new ATOM 0 HB3 SER A 85 -2.357 8.587 -9.769 1.00 11.02 H new ATOM 0 HG SER A 85 -1.796 9.564 -7.750 1.00 5.44 H new ATOM 1339 N THR A 86 -4.173 6.676 -11.293 1.00 72.51 N ATOM 1340 CA THR A 86 -3.887 5.795 -12.433 1.00 52.04 C ATOM 1341 C THR A 86 -2.753 6.425 -13.255 1.00 53.43 C ATOM 1342 O THR A 86 -3.003 7.269 -14.131 1.00 11.54 O ATOM 1343 CB THR A 86 -5.161 5.559 -13.322 1.00 44.41 C ATOM 1344 OG1 THR A 86 -5.842 6.803 -13.531 1.00 34.52 O ATOM 1345 CG2 THR A 86 -6.134 4.544 -12.706 1.00 64.42 C ATOM 0 H THR A 86 -4.557 7.580 -11.569 1.00 72.51 H new ATOM 0 HA THR A 86 -3.583 4.816 -12.063 1.00 52.04 H new ATOM 0 HB THR A 86 -4.817 5.147 -14.271 1.00 44.41 H new ATOM 0 HG1 THR A 86 -5.198 7.485 -13.815 1.00 34.52 H new ATOM 0 HG21 THR A 86 -6.995 4.421 -13.363 1.00 64.42 H new ATOM 0 HG22 THR A 86 -5.630 3.585 -12.584 1.00 64.42 H new ATOM 0 HG23 THR A 86 -6.468 4.905 -11.733 1.00 64.42 H new ATOM 1353 N ASP A 87 -1.507 6.046 -12.925 1.00 52.45 N ATOM 1354 CA ASP A 87 -0.294 6.530 -13.600 1.00 50.31 C ATOM 1355 C ASP A 87 0.897 5.682 -13.098 1.00 12.24 C ATOM 1356 O ASP A 87 1.258 5.790 -11.921 1.00 44.54 O ATOM 1357 CB ASP A 87 -0.045 8.046 -13.338 1.00 64.23 C ATOM 1358 CG ASP A 87 1.001 8.647 -14.296 1.00 44.40 C ATOM 1359 OD1 ASP A 87 2.201 8.383 -14.125 1.00 4.10 O ATOM 1360 OD2 ASP A 87 0.619 9.362 -15.245 1.00 72.25 O ATOM 0 H ASP A 87 -1.313 5.386 -12.172 1.00 52.45 H new ATOM 0 HA ASP A 87 -0.413 6.422 -14.678 1.00 50.31 H new ATOM 0 HB2 ASP A 87 -0.984 8.589 -13.444 1.00 64.23 H new ATOM 0 HB3 ASP A 87 0.288 8.184 -12.309 1.00 64.23 H new ATOM 1365 N PRO A 88 1.513 4.820 -13.968 1.00 2.15 N ATOM 1366 CA PRO A 88 2.551 3.846 -13.541 1.00 5.30 C ATOM 1367 C PRO A 88 3.837 4.497 -12.963 1.00 63.23 C ATOM 1368 O PRO A 88 4.478 3.908 -12.093 1.00 21.11 O ATOM 1369 CB PRO A 88 2.829 3.033 -14.837 1.00 3.40 C ATOM 1370 CG PRO A 88 2.424 3.948 -15.953 1.00 54.14 C ATOM 1371 CD PRO A 88 1.232 4.716 -15.430 1.00 74.12 C ATOM 0 HA PRO A 88 2.208 3.232 -12.708 1.00 5.30 H new ATOM 0 HB2 PRO A 88 3.881 2.756 -14.913 1.00 3.40 H new ATOM 0 HB3 PRO A 88 2.254 2.107 -14.855 1.00 3.40 H new ATOM 0 HG2 PRO A 88 3.237 4.621 -16.224 1.00 54.14 H new ATOM 0 HG3 PRO A 88 2.166 3.384 -16.849 1.00 54.14 H new ATOM 0 HD2 PRO A 88 1.149 5.698 -15.896 1.00 74.12 H new ATOM 0 HD3 PRO A 88 0.297 4.191 -15.625 1.00 74.12 H new ATOM 1379 N GLU A 89 4.212 5.697 -13.454 1.00 53.22 N ATOM 1380 CA GLU A 89 5.475 6.364 -13.039 1.00 24.23 C ATOM 1381 C GLU A 89 5.253 7.301 -11.834 1.00 60.44 C ATOM 1382 O GLU A 89 6.118 7.405 -10.958 1.00 12.21 O ATOM 1383 CB GLU A 89 6.148 7.092 -14.229 1.00 42.32 C ATOM 1384 CG GLU A 89 5.357 8.267 -14.824 1.00 54.54 C ATOM 1385 CD GLU A 89 5.954 8.770 -16.148 1.00 71.13 C ATOM 1386 OE1 GLU A 89 6.972 9.485 -16.123 1.00 70.23 O ATOM 1387 OE2 GLU A 89 5.429 8.409 -17.224 1.00 32.44 O ATOM 0 H GLU A 89 3.665 6.225 -14.134 1.00 53.22 H new ATOM 0 HA GLU A 89 6.165 5.587 -12.710 1.00 24.23 H new ATOM 0 HB2 GLU A 89 7.120 7.461 -13.903 1.00 42.32 H new ATOM 0 HB3 GLU A 89 6.332 6.364 -15.019 1.00 42.32 H new ATOM 0 HG2 GLU A 89 4.325 7.959 -14.989 1.00 54.54 H new ATOM 0 HG3 GLU A 89 5.334 9.086 -14.105 1.00 54.54 H new ATOM 1394 N GLU A 90 4.080 7.973 -11.781 1.00 44.43 N ATOM 1395 CA GLU A 90 3.752 8.931 -10.702 1.00 0.02 C ATOM 1396 C GLU A 90 3.459 8.187 -9.392 1.00 53.11 C ATOM 1397 O GLU A 90 3.845 8.638 -8.314 1.00 10.42 O ATOM 1398 CB GLU A 90 2.554 9.823 -11.089 1.00 31.51 C ATOM 1399 CG GLU A 90 2.195 10.895 -10.033 1.00 44.14 C ATOM 1400 CD GLU A 90 0.988 11.741 -10.440 1.00 24.55 C ATOM 1401 OE1 GLU A 90 -0.153 11.331 -10.181 1.00 72.53 O ATOM 1402 OE2 GLU A 90 1.177 12.806 -11.057 1.00 63.24 O ATOM 0 H GLU A 90 3.342 7.868 -12.477 1.00 44.43 H new ATOM 0 HA GLU A 90 4.619 9.575 -10.555 1.00 0.02 H new ATOM 0 HB2 GLU A 90 2.775 10.319 -12.034 1.00 31.51 H new ATOM 0 HB3 GLU A 90 1.683 9.190 -11.258 1.00 31.51 H new ATOM 0 HG2 GLU A 90 1.987 10.406 -9.081 1.00 44.14 H new ATOM 0 HG3 GLU A 90 3.054 11.547 -9.876 1.00 44.14 H new ATOM 1409 N LEU A 91 2.781 7.037 -9.494 1.00 23.40 N ATOM 1410 CA LEU A 91 2.567 6.161 -8.331 1.00 20.31 C ATOM 1411 C LEU A 91 3.924 5.668 -7.788 1.00 31.33 C ATOM 1412 O LEU A 91 4.117 5.626 -6.576 1.00 35.22 O ATOM 1413 CB LEU A 91 1.640 4.975 -8.687 1.00 23.34 C ATOM 1414 CG LEU A 91 0.113 5.273 -8.750 1.00 75.03 C ATOM 1415 CD1 LEU A 91 -0.672 4.042 -9.259 1.00 11.31 C ATOM 1416 CD2 LEU A 91 -0.405 5.727 -7.370 1.00 65.32 C ATOM 0 H LEU A 91 2.373 6.691 -10.363 1.00 23.40 H new ATOM 0 HA LEU A 91 2.069 6.735 -7.550 1.00 20.31 H new ATOM 0 HB2 LEU A 91 1.949 4.580 -9.655 1.00 23.34 H new ATOM 0 HB3 LEU A 91 1.802 4.185 -7.954 1.00 23.34 H new ATOM 0 HG LEU A 91 -0.048 6.085 -9.460 1.00 75.03 H new ATOM 0 HD11 LEU A 91 -1.736 4.277 -9.293 1.00 11.31 H new ATOM 0 HD12 LEU A 91 -0.326 3.778 -10.258 1.00 11.31 H new ATOM 0 HD13 LEU A 91 -0.508 3.202 -8.585 1.00 11.31 H new ATOM 0 HD21 LEU A 91 -1.474 5.931 -7.432 1.00 65.32 H new ATOM 0 HD22 LEU A 91 -0.228 4.939 -6.638 1.00 65.32 H new ATOM 0 HD23 LEU A 91 0.120 6.632 -7.064 1.00 65.32 H new ATOM 1428 N THR A 92 4.868 5.356 -8.710 1.00 44.11 N ATOM 1429 CA THR A 92 6.226 4.904 -8.345 1.00 5.42 C ATOM 1430 C THR A 92 7.001 6.010 -7.602 1.00 64.54 C ATOM 1431 O THR A 92 7.682 5.713 -6.610 1.00 73.25 O ATOM 1432 CB THR A 92 7.035 4.414 -9.599 1.00 13.33 C ATOM 1433 OG1 THR A 92 6.368 3.292 -10.194 1.00 53.50 O ATOM 1434 CG2 THR A 92 8.488 4.007 -9.261 1.00 75.43 C ATOM 0 H THR A 92 4.708 5.411 -9.716 1.00 44.11 H new ATOM 0 HA THR A 92 6.108 4.054 -7.672 1.00 5.42 H new ATOM 0 HB THR A 92 7.081 5.256 -10.290 1.00 13.33 H new ATOM 0 HG1 THR A 92 5.823 3.598 -10.949 1.00 53.50 H new ATOM 0 HG21 THR A 92 8.994 3.678 -10.169 1.00 75.43 H new ATOM 0 HG22 THR A 92 9.017 4.862 -8.840 1.00 75.43 H new ATOM 0 HG23 THR A 92 8.479 3.194 -8.536 1.00 75.43 H new ATOM 1442 N GLN A 93 6.867 7.287 -8.056 1.00 71.14 N ATOM 1443 CA GLN A 93 7.581 8.414 -7.420 1.00 30.54 C ATOM 1444 C GLN A 93 7.031 8.664 -6.012 1.00 24.23 C ATOM 1445 O GLN A 93 7.801 8.981 -5.113 1.00 44.44 O ATOM 1446 CB GLN A 93 7.567 9.726 -8.263 1.00 22.35 C ATOM 1447 CG GLN A 93 6.243 10.504 -8.279 1.00 42.42 C ATOM 1448 CD GLN A 93 6.320 11.827 -9.031 1.00 31.41 C ATOM 1449 OE1 GLN A 93 6.090 11.882 -10.240 1.00 1.04 O ATOM 1450 NE2 GLN A 93 6.651 12.901 -8.323 1.00 53.14 N ATOM 0 H GLN A 93 6.280 7.552 -8.847 1.00 71.14 H new ATOM 0 HA GLN A 93 8.628 8.116 -7.356 1.00 30.54 H new ATOM 0 HB2 GLN A 93 8.348 10.385 -7.885 1.00 22.35 H new ATOM 0 HB3 GLN A 93 7.831 9.476 -9.291 1.00 22.35 H new ATOM 0 HG2 GLN A 93 5.472 9.882 -8.733 1.00 42.42 H new ATOM 0 HG3 GLN A 93 5.933 10.697 -7.252 1.00 42.42 H new ATOM 0 HE21 GLN A 93 6.834 12.816 -7.323 1.00 53.14 H new ATOM 0 HE22 GLN A 93 6.722 13.811 -8.779 1.00 53.14 H new ATOM 1459 N ARG A 94 5.706 8.459 -5.830 1.00 12.12 N ATOM 1460 CA ARG A 94 5.039 8.640 -4.532 1.00 13.45 C ATOM 1461 C ARG A 94 5.464 7.547 -3.538 1.00 35.51 C ATOM 1462 O ARG A 94 5.670 7.838 -2.359 1.00 4.20 O ATOM 1463 CB ARG A 94 3.500 8.658 -4.701 1.00 71.34 C ATOM 1464 CG ARG A 94 2.955 9.839 -5.539 1.00 41.53 C ATOM 1465 CD ARG A 94 3.386 11.207 -4.994 1.00 13.42 C ATOM 1466 NE ARG A 94 2.832 12.321 -5.783 1.00 71.24 N ATOM 1467 CZ ARG A 94 3.493 13.443 -6.113 1.00 61.33 C ATOM 1468 NH1 ARG A 94 4.754 13.629 -5.733 1.00 22.52 N ATOM 1469 NH2 ARG A 94 2.874 14.393 -6.791 1.00 2.21 N ATOM 0 H ARG A 94 5.078 8.165 -6.578 1.00 12.12 H new ATOM 0 HA ARG A 94 5.348 9.604 -4.127 1.00 13.45 H new ATOM 0 HB2 ARG A 94 3.189 7.724 -5.169 1.00 71.34 H new ATOM 0 HB3 ARG A 94 3.040 8.688 -3.713 1.00 71.34 H new ATOM 0 HG2 ARG A 94 3.301 9.738 -6.568 1.00 41.53 H new ATOM 0 HG3 ARG A 94 1.866 9.789 -5.562 1.00 41.53 H new ATOM 0 HD2 ARG A 94 3.062 11.302 -3.958 1.00 13.42 H new ATOM 0 HD3 ARG A 94 4.474 11.270 -4.994 1.00 13.42 H new ATOM 0 HE ARG A 94 1.868 12.233 -6.105 1.00 71.24 H new ATOM 0 HH11 ARG A 94 5.232 12.915 -5.184 1.00 22.52 H new ATOM 0 HH12 ARG A 94 5.243 14.486 -5.991 1.00 22.52 H new ATOM 0 HH21 ARG A 94 1.898 14.273 -7.062 1.00 2.21 H new ATOM 0 HH22 ARG A 94 3.372 15.247 -7.044 1.00 2.21 H new ATOM 1483 N VAL A 95 5.606 6.303 -4.039 1.00 43.00 N ATOM 1484 CA VAL A 95 6.087 5.157 -3.244 1.00 10.54 C ATOM 1485 C VAL A 95 7.513 5.423 -2.741 1.00 32.43 C ATOM 1486 O VAL A 95 7.766 5.385 -1.531 1.00 0.14 O ATOM 1487 CB VAL A 95 6.044 3.819 -4.084 1.00 65.33 C ATOM 1488 CG1 VAL A 95 6.775 2.651 -3.370 1.00 4.23 C ATOM 1489 CG2 VAL A 95 4.583 3.421 -4.415 1.00 75.25 C ATOM 0 H VAL A 95 5.390 6.066 -5.007 1.00 43.00 H new ATOM 0 HA VAL A 95 5.423 5.038 -2.388 1.00 10.54 H new ATOM 0 HB VAL A 95 6.576 4.014 -5.015 1.00 65.33 H new ATOM 0 HG11 VAL A 95 6.717 1.754 -3.987 1.00 4.23 H new ATOM 0 HG12 VAL A 95 7.820 2.917 -3.214 1.00 4.23 H new ATOM 0 HG13 VAL A 95 6.301 2.460 -2.407 1.00 4.23 H new ATOM 0 HG21 VAL A 95 4.580 2.497 -4.994 1.00 75.25 H new ATOM 0 HG22 VAL A 95 4.028 3.271 -3.489 1.00 75.25 H new ATOM 0 HG23 VAL A 95 4.112 4.214 -4.996 1.00 75.25 H new ATOM 1499 N ARG A 96 8.423 5.737 -3.685 1.00 74.23 N ATOM 1500 CA ARG A 96 9.853 5.874 -3.380 1.00 45.24 C ATOM 1501 C ARG A 96 10.132 7.087 -2.474 1.00 64.01 C ATOM 1502 O ARG A 96 10.932 6.970 -1.546 1.00 72.43 O ATOM 1503 CB ARG A 96 10.731 5.884 -4.671 1.00 52.23 C ATOM 1504 CG ARG A 96 10.470 7.016 -5.683 1.00 11.34 C ATOM 1505 CD ARG A 96 11.367 6.909 -6.946 1.00 13.34 C ATOM 1506 NE ARG A 96 10.933 7.822 -8.032 1.00 44.11 N ATOM 1507 CZ ARG A 96 11.701 8.735 -8.664 1.00 70.21 C ATOM 1508 NH1 ARG A 96 12.986 8.903 -8.339 1.00 74.10 N ATOM 1509 NH2 ARG A 96 11.171 9.472 -9.632 1.00 73.32 N ATOM 0 H ARG A 96 8.188 5.900 -4.664 1.00 74.23 H new ATOM 0 HA ARG A 96 10.144 4.988 -2.816 1.00 45.24 H new ATOM 0 HB2 ARG A 96 11.777 5.933 -4.369 1.00 52.23 H new ATOM 0 HB3 ARG A 96 10.592 4.932 -5.183 1.00 52.23 H new ATOM 0 HG2 ARG A 96 9.422 6.995 -5.983 1.00 11.34 H new ATOM 0 HG3 ARG A 96 10.644 7.977 -5.199 1.00 11.34 H new ATOM 0 HD2 ARG A 96 12.398 7.136 -6.675 1.00 13.34 H new ATOM 0 HD3 ARG A 96 11.352 5.882 -7.312 1.00 13.34 H new ATOM 0 HE ARG A 96 9.960 7.753 -8.330 1.00 44.11 H new ATOM 0 HH11 ARG A 96 13.404 8.336 -7.601 1.00 74.10 H new ATOM 0 HH12 ARG A 96 13.549 9.598 -8.829 1.00 74.10 H new ATOM 0 HH21 ARG A 96 10.193 9.346 -9.892 1.00 73.32 H new ATOM 0 HH22 ARG A 96 11.742 10.165 -10.116 1.00 73.32 H new ATOM 1523 N GLU A 97 9.430 8.222 -2.703 1.00 25.25 N ATOM 1524 CA GLU A 97 9.618 9.444 -1.890 1.00 21.01 C ATOM 1525 C GLU A 97 9.036 9.249 -0.473 1.00 63.22 C ATOM 1526 O GLU A 97 9.569 9.806 0.493 1.00 52.10 O ATOM 1527 CB GLU A 97 8.997 10.698 -2.569 1.00 35.14 C ATOM 1528 CG GLU A 97 7.454 10.752 -2.578 1.00 12.03 C ATOM 1529 CD GLU A 97 6.897 11.961 -3.340 1.00 24.43 C ATOM 1530 OE1 GLU A 97 6.705 11.866 -4.571 1.00 0.53 O ATOM 1531 OE2 GLU A 97 6.669 13.020 -2.719 1.00 74.12 O ATOM 0 H GLU A 97 8.732 8.315 -3.441 1.00 25.25 H new ATOM 0 HA GLU A 97 10.691 9.617 -1.809 1.00 21.01 H new ATOM 0 HB2 GLU A 97 9.372 11.587 -2.062 1.00 35.14 H new ATOM 0 HB3 GLU A 97 9.351 10.745 -3.599 1.00 35.14 H new ATOM 0 HG2 GLU A 97 7.067 9.837 -3.028 1.00 12.03 H new ATOM 0 HG3 GLU A 97 7.092 10.780 -1.550 1.00 12.03 H new ATOM 1538 N PHE A 98 7.946 8.443 -0.361 1.00 65.41 N ATOM 1539 CA PHE A 98 7.318 8.101 0.930 1.00 3.15 C ATOM 1540 C PHE A 98 8.292 7.293 1.800 1.00 73.20 C ATOM 1541 O PHE A 98 8.409 7.533 3.001 1.00 41.13 O ATOM 1542 CB PHE A 98 6.011 7.292 0.689 1.00 15.24 C ATOM 1543 CG PHE A 98 5.279 6.852 1.959 1.00 44.21 C ATOM 1544 CD1 PHE A 98 4.452 7.740 2.649 1.00 13.54 C ATOM 1545 CD2 PHE A 98 5.429 5.557 2.469 1.00 74.53 C ATOM 1546 CE1 PHE A 98 3.800 7.346 3.801 1.00 30.12 C ATOM 1547 CE2 PHE A 98 4.775 5.174 3.617 1.00 23.34 C ATOM 1548 CZ PHE A 98 3.966 6.066 4.284 1.00 50.51 C ATOM 0 H PHE A 98 7.485 8.017 -1.165 1.00 65.41 H new ATOM 0 HA PHE A 98 7.069 9.023 1.455 1.00 3.15 H new ATOM 0 HB2 PHE A 98 5.333 7.897 0.088 1.00 15.24 H new ATOM 0 HB3 PHE A 98 6.253 6.406 0.102 1.00 15.24 H new ATOM 0 HD1 PHE A 98 4.321 8.746 2.278 1.00 13.54 H new ATOM 0 HD2 PHE A 98 6.065 4.851 1.956 1.00 74.53 H new ATOM 0 HE1 PHE A 98 3.160 8.041 4.324 1.00 30.12 H new ATOM 0 HE2 PHE A 98 4.897 4.170 3.996 1.00 23.34 H new ATOM 0 HZ PHE A 98 3.460 5.762 5.188 1.00 50.51 H new ATOM 1558 N LEU A 99 8.991 6.339 1.162 1.00 65.10 N ATOM 1559 CA LEU A 99 9.984 5.483 1.834 1.00 32.22 C ATOM 1560 C LEU A 99 11.240 6.290 2.239 1.00 11.23 C ATOM 1561 O LEU A 99 11.981 5.883 3.138 1.00 63.01 O ATOM 1562 CB LEU A 99 10.351 4.280 0.923 1.00 43.33 C ATOM 1563 CG LEU A 99 9.160 3.340 0.543 1.00 10.20 C ATOM 1564 CD1 LEU A 99 9.600 2.230 -0.429 1.00 61.43 C ATOM 1565 CD2 LEU A 99 8.491 2.752 1.803 1.00 53.33 C ATOM 0 H LEU A 99 8.884 6.140 0.167 1.00 65.10 H new ATOM 0 HA LEU A 99 9.544 5.097 2.753 1.00 32.22 H new ATOM 0 HB2 LEU A 99 10.796 4.663 0.005 1.00 43.33 H new ATOM 0 HB3 LEU A 99 11.115 3.686 1.424 1.00 43.33 H new ATOM 0 HG LEU A 99 8.417 3.946 0.025 1.00 10.20 H new ATOM 0 HD11 LEU A 99 8.746 1.597 -0.670 1.00 61.43 H new ATOM 0 HD12 LEU A 99 9.988 2.680 -1.343 1.00 61.43 H new ATOM 0 HD13 LEU A 99 10.379 1.626 0.037 1.00 61.43 H new ATOM 0 HD21 LEU A 99 7.667 2.103 1.508 1.00 53.33 H new ATOM 0 HD22 LEU A 99 9.223 2.175 2.368 1.00 53.33 H new ATOM 0 HD23 LEU A 99 8.110 3.562 2.424 1.00 53.33 H new ATOM 1577 N LYS A 100 11.442 7.448 1.580 1.00 12.01 N ATOM 1578 CA LYS A 100 12.555 8.364 1.876 1.00 23.44 C ATOM 1579 C LYS A 100 12.201 9.301 3.044 1.00 3.23 C ATOM 1580 O LYS A 100 13.046 9.577 3.893 1.00 45.14 O ATOM 1581 CB LYS A 100 12.914 9.209 0.625 1.00 54.52 C ATOM 1582 CG LYS A 100 13.536 8.416 -0.550 1.00 42.14 C ATOM 1583 CD LYS A 100 13.830 9.318 -1.772 1.00 41.13 C ATOM 1584 CE LYS A 100 14.869 10.415 -1.468 1.00 60.00 C ATOM 1585 NZ LYS A 100 14.975 11.401 -2.571 1.00 55.10 N ATOM 0 H LYS A 100 10.836 7.773 0.827 1.00 12.01 H new ATOM 0 HA LYS A 100 13.416 7.758 2.159 1.00 23.44 H new ATOM 0 HB2 LYS A 100 12.011 9.705 0.270 1.00 54.52 H new ATOM 0 HB3 LYS A 100 13.611 9.992 0.923 1.00 54.52 H new ATOM 0 HG2 LYS A 100 14.461 7.944 -0.218 1.00 42.14 H new ATOM 0 HG3 LYS A 100 12.857 7.616 -0.846 1.00 42.14 H new ATOM 0 HD2 LYS A 100 14.190 8.701 -2.595 1.00 41.13 H new ATOM 0 HD3 LYS A 100 12.903 9.784 -2.105 1.00 41.13 H new ATOM 0 HE2 LYS A 100 14.594 10.929 -0.547 1.00 60.00 H new ATOM 0 HE3 LYS A 100 15.843 9.955 -1.298 1.00 60.00 H new ATOM 0 HZ1 LYS A 100 15.684 12.121 -2.326 1.00 55.10 H new ATOM 0 HZ2 LYS A 100 15.262 10.915 -3.445 1.00 55.10 H new ATOM 0 HZ3 LYS A 100 14.053 11.859 -2.717 1.00 55.10 H new ATOM 1599 N THR A 101 10.936 9.776 3.098 1.00 20.43 N ATOM 1600 CA THR A 101 10.533 10.854 4.026 1.00 33.11 C ATOM 1601 C THR A 101 10.007 10.273 5.354 1.00 71.30 C ATOM 1602 O THR A 101 10.301 10.798 6.418 1.00 51.23 O ATOM 1603 CB THR A 101 9.463 11.819 3.374 1.00 30.55 C ATOM 1604 OG1 THR A 101 9.238 12.977 4.207 1.00 4.41 O ATOM 1605 CG2 THR A 101 8.108 11.140 3.084 1.00 61.13 C ATOM 0 H THR A 101 10.178 9.429 2.510 1.00 20.43 H new ATOM 0 HA THR A 101 11.423 11.446 4.239 1.00 33.11 H new ATOM 0 HB THR A 101 9.890 12.116 2.416 1.00 30.55 H new ATOM 0 HG1 THR A 101 9.881 12.977 4.947 1.00 4.41 H new ATOM 0 HG21 THR A 101 7.426 11.864 2.638 1.00 61.13 H new ATOM 0 HG22 THR A 101 8.257 10.309 2.394 1.00 61.13 H new ATOM 0 HG23 THR A 101 7.682 10.766 4.015 1.00 61.13 H new ATOM 1613 N ALA A 102 9.243 9.173 5.285 1.00 5.50 N ATOM 1614 CA ALA A 102 8.655 8.529 6.480 1.00 2.42 C ATOM 1615 C ALA A 102 9.590 7.456 7.062 1.00 32.55 C ATOM 1616 O ALA A 102 9.188 6.696 7.956 1.00 55.01 O ATOM 1617 CB ALA A 102 7.278 7.939 6.129 1.00 34.14 C ATOM 0 H ALA A 102 9.014 8.704 4.409 1.00 5.50 H new ATOM 0 HA ALA A 102 8.525 9.288 7.252 1.00 2.42 H new ATOM 0 HB1 ALA A 102 6.849 7.466 7.012 1.00 34.14 H new ATOM 0 HB2 ALA A 102 6.617 8.736 5.787 1.00 34.14 H new ATOM 0 HB3 ALA A 102 7.391 7.197 5.339 1.00 34.14 H new ATOM 1623 N GLY A 103 10.849 7.433 6.574 1.00 42.13 N ATOM 1624 CA GLY A 103 11.855 6.471 7.011 1.00 43.32 C ATOM 1625 C GLY A 103 12.318 6.660 8.452 1.00 62.21 C ATOM 1626 O GLY A 103 11.903 7.606 9.144 1.00 34.11 O ATOM 0 H GLY A 103 11.186 8.086 5.866 1.00 42.13 H new ATOM 0 HA2 GLY A 103 11.451 5.465 6.900 1.00 43.32 H new ATOM 0 HA3 GLY A 103 12.720 6.542 6.351 1.00 43.32 H new ATOM 1630 N SER A 104 13.246 5.786 8.874 1.00 2.51 N ATOM 1631 CA SER A 104 13.811 5.771 10.241 1.00 53.45 C ATOM 1632 C SER A 104 14.759 6.975 10.514 1.00 3.34 C ATOM 1633 O SER A 104 15.380 7.048 11.576 1.00 43.12 O ATOM 1634 CB SER A 104 14.541 4.422 10.471 1.00 65.34 C ATOM 1635 OG SER A 104 13.669 3.319 10.237 1.00 51.21 O ATOM 0 H SER A 104 13.632 5.060 8.271 1.00 2.51 H new ATOM 0 HA SER A 104 12.988 5.873 10.949 1.00 53.45 H new ATOM 0 HB2 SER A 104 15.404 4.354 9.808 1.00 65.34 H new ATOM 0 HB3 SER A 104 14.920 4.380 11.492 1.00 65.34 H new ATOM 0 HG SER A 104 14.154 2.481 10.387 1.00 51.21 H new ATOM 1641 N LEU A 105 14.840 7.920 9.551 1.00 23.55 N ATOM 1642 CA LEU A 105 15.607 9.170 9.680 1.00 21.54 C ATOM 1643 C LEU A 105 14.800 10.222 10.486 1.00 33.03 C ATOM 1644 O LEU A 105 15.062 10.440 11.671 1.00 52.24 O ATOM 1645 CB LEU A 105 16.033 9.734 8.276 1.00 15.05 C ATOM 1646 CG LEU A 105 14.963 9.625 7.114 1.00 20.10 C ATOM 1647 CD1 LEU A 105 15.045 10.800 6.123 1.00 40.31 C ATOM 1648 CD2 LEU A 105 15.110 8.282 6.375 1.00 25.22 C ATOM 0 H LEU A 105 14.367 7.831 8.652 1.00 23.55 H new ATOM 0 HA LEU A 105 16.522 8.947 10.228 1.00 21.54 H new ATOM 0 HB2 LEU A 105 16.299 10.784 8.397 1.00 15.05 H new ATOM 0 HB3 LEU A 105 16.935 9.211 7.958 1.00 15.05 H new ATOM 0 HG LEU A 105 13.979 9.673 7.579 1.00 20.10 H new ATOM 0 HD11 LEU A 105 14.290 10.675 5.347 1.00 40.31 H new ATOM 0 HD12 LEU A 105 14.869 11.736 6.653 1.00 40.31 H new ATOM 0 HD13 LEU A 105 16.034 10.822 5.666 1.00 40.31 H new ATOM 0 HD21 LEU A 105 14.368 8.222 5.579 1.00 25.22 H new ATOM 0 HD22 LEU A 105 16.109 8.210 5.946 1.00 25.22 H new ATOM 0 HD23 LEU A 105 14.957 7.462 7.077 1.00 25.22 H new ATOM 1660 N GLU A 106 13.775 10.824 9.845 1.00 14.12 N ATOM 1661 CA GLU A 106 13.034 11.992 10.383 1.00 54.32 C ATOM 1662 C GLU A 106 11.646 11.570 10.907 1.00 32.23 C ATOM 1663 O GLU A 106 10.736 12.396 10.996 1.00 52.45 O ATOM 1664 CB GLU A 106 12.904 13.079 9.280 1.00 65.44 C ATOM 1665 CG GLU A 106 12.181 12.593 8.010 1.00 64.03 C ATOM 1666 CD GLU A 106 11.868 13.702 6.992 1.00 12.31 C ATOM 1667 OE1 GLU A 106 12.813 14.283 6.435 1.00 74.25 O ATOM 1668 OE2 GLU A 106 10.676 13.975 6.725 1.00 73.42 O ATOM 0 H GLU A 106 13.434 10.514 8.935 1.00 14.12 H new ATOM 0 HA GLU A 106 13.590 12.407 11.224 1.00 54.32 H new ATOM 0 HB2 GLU A 106 12.366 13.935 9.688 1.00 65.44 H new ATOM 0 HB3 GLU A 106 13.900 13.429 9.008 1.00 65.44 H new ATOM 0 HG2 GLU A 106 12.795 11.835 7.525 1.00 64.03 H new ATOM 0 HG3 GLU A 106 11.248 12.110 8.300 1.00 64.03 H new ATOM 1675 N HIS A 107 11.502 10.282 11.260 1.00 41.54 N ATOM 1676 CA HIS A 107 10.287 9.753 11.923 1.00 1.23 C ATOM 1677 C HIS A 107 9.945 10.582 13.198 1.00 3.05 C ATOM 1678 O HIS A 107 10.852 10.929 13.960 1.00 33.13 O ATOM 1679 CB HIS A 107 10.482 8.253 12.280 1.00 20.21 C ATOM 1680 CG HIS A 107 11.596 7.978 13.276 1.00 44.34 C ATOM 1681 ND1 HIS A 107 11.423 7.233 14.419 1.00 41.51 N ATOM 1682 CD2 HIS A 107 12.903 8.355 13.284 1.00 2.41 C ATOM 1683 CE1 HIS A 107 12.561 7.170 15.077 1.00 1.15 C ATOM 1684 NE2 HIS A 107 13.473 7.841 14.411 1.00 32.12 N ATOM 0 H HIS A 107 12.219 9.576 11.097 1.00 41.54 H new ATOM 0 HA HIS A 107 9.450 9.841 11.231 1.00 1.23 H new ATOM 0 HB2 HIS A 107 9.547 7.865 12.685 1.00 20.21 H new ATOM 0 HB3 HIS A 107 10.687 7.699 11.364 1.00 20.21 H new ATOM 0 HD2 HIS A 107 13.399 8.953 12.534 1.00 2.41 H new ATOM 0 HE1 HIS A 107 12.719 6.652 16.011 1.00 1.15 H new ATOM 0 HE2 HIS A 107 14.447 7.958 14.691 1.00 32.12 H new ATOM 1693 N HIS A 108 8.645 10.929 13.363 1.00 65.34 N ATOM 1694 CA HIS A 108 8.110 11.744 14.493 1.00 41.23 C ATOM 1695 C HIS A 108 8.436 13.254 14.389 1.00 51.13 C ATOM 1696 O HIS A 108 7.963 14.015 15.238 1.00 25.20 O ATOM 1697 CB HIS A 108 8.547 11.210 15.901 1.00 61.32 C ATOM 1698 CG HIS A 108 7.758 10.053 16.437 1.00 34.34 C ATOM 1699 ND1 HIS A 108 7.416 9.943 17.768 1.00 73.42 N ATOM 1700 CD2 HIS A 108 7.273 8.945 15.840 1.00 62.44 C ATOM 1701 CE1 HIS A 108 6.758 8.830 17.961 1.00 4.25 C ATOM 1702 NE2 HIS A 108 6.654 8.201 16.805 1.00 34.01 N ATOM 0 H HIS A 108 7.920 10.647 12.703 1.00 65.34 H new ATOM 0 HA HIS A 108 7.030 11.631 14.399 1.00 41.23 H new ATOM 0 HB2 HIS A 108 9.595 10.916 15.847 1.00 61.32 H new ATOM 0 HB3 HIS A 108 8.482 12.031 16.615 1.00 61.32 H new ATOM 0 HD2 HIS A 108 7.358 8.693 14.793 1.00 62.44 H new ATOM 0 HE1 HIS A 108 6.366 8.484 18.906 1.00 4.25 H new ATOM 0 HE2 HIS A 108 6.188 7.306 16.656 1.00 34.01 H new ATOM 1711 N HIS A 109 9.221 13.703 13.373 1.00 73.44 N ATOM 1712 CA HIS A 109 9.575 15.148 13.235 1.00 43.40 C ATOM 1713 C HIS A 109 8.301 15.967 12.940 1.00 62.10 C ATOM 1714 O HIS A 109 8.180 17.128 13.325 1.00 33.44 O ATOM 1715 CB HIS A 109 10.669 15.388 12.133 1.00 74.14 C ATOM 1716 CG HIS A 109 10.150 15.695 10.735 1.00 55.04 C ATOM 1717 ND1 HIS A 109 10.177 16.960 10.194 1.00 52.12 N ATOM 1718 CD2 HIS A 109 9.600 14.904 9.778 1.00 40.31 C ATOM 1719 CE1 HIS A 109 9.649 16.936 8.989 1.00 21.43 C ATOM 1720 NE2 HIS A 109 9.298 15.700 8.705 1.00 4.32 N ATOM 0 H HIS A 109 9.615 13.102 12.650 1.00 73.44 H new ATOM 0 HA HIS A 109 10.007 15.482 14.178 1.00 43.40 H new ATOM 0 HB2 HIS A 109 11.304 16.214 12.453 1.00 74.14 H new ATOM 0 HB3 HIS A 109 11.302 14.502 12.078 1.00 74.14 H new ATOM 0 HD2 HIS A 109 9.431 13.840 9.850 1.00 40.31 H new ATOM 0 HE1 HIS A 109 9.524 17.790 8.340 1.00 21.43 H new ATOM 0 HE2 HIS A 109 8.872 15.387 7.832 1.00 4.32 H new ATOM 1729 N HIS A 110 7.364 15.313 12.233 1.00 23.01 N ATOM 1730 CA HIS A 110 6.033 15.838 11.932 1.00 42.51 C ATOM 1731 C HIS A 110 5.006 14.985 12.688 1.00 2.52 C ATOM 1732 O HIS A 110 4.479 14.002 12.166 1.00 25.24 O ATOM 1733 CB HIS A 110 5.797 15.835 10.398 1.00 41.21 C ATOM 1734 CG HIS A 110 4.398 16.200 9.968 1.00 13.25 C ATOM 1735 ND1 HIS A 110 3.531 15.288 9.406 1.00 22.21 N ATOM 1736 CD2 HIS A 110 3.723 17.373 10.017 1.00 35.54 C ATOM 1737 CE1 HIS A 110 2.390 15.880 9.133 1.00 52.10 C ATOM 1738 NE2 HIS A 110 2.479 17.145 9.492 1.00 53.15 N ATOM 0 H HIS A 110 7.521 14.382 11.848 1.00 23.01 H new ATOM 0 HA HIS A 110 5.933 16.873 12.259 1.00 42.51 H new ATOM 0 HB2 HIS A 110 6.496 16.532 9.937 1.00 41.21 H new ATOM 0 HB3 HIS A 110 6.033 14.844 10.011 1.00 41.21 H new ATOM 0 HD2 HIS A 110 4.096 18.312 10.399 1.00 35.54 H new ATOM 0 HE1 HIS A 110 1.525 15.409 8.689 1.00 52.10 H new ATOM 0 HE2 HIS A 110 1.740 17.842 9.395 1.00 53.15 H new ATOM 1747 N HIS A 111 4.804 15.335 13.958 1.00 3.15 N ATOM 1748 CA HIS A 111 3.850 14.664 14.862 1.00 3.11 C ATOM 1749 C HIS A 111 2.718 15.638 15.234 1.00 42.33 C ATOM 1750 O HIS A 111 2.634 16.740 14.674 1.00 21.33 O ATOM 1751 CB HIS A 111 4.597 14.151 16.126 1.00 52.41 C ATOM 1752 CG HIS A 111 5.148 15.240 17.032 1.00 51.14 C ATOM 1753 ND1 HIS A 111 4.599 15.549 18.260 1.00 42.41 N ATOM 1754 CD2 HIS A 111 6.205 16.076 16.881 1.00 72.25 C ATOM 1755 CE1 HIS A 111 5.293 16.521 18.815 1.00 31.41 C ATOM 1756 NE2 HIS A 111 6.270 16.856 18.000 1.00 70.14 N ATOM 0 H HIS A 111 5.304 16.105 14.402 1.00 3.15 H new ATOM 0 HA HIS A 111 3.406 13.804 14.361 1.00 3.11 H new ATOM 0 HB2 HIS A 111 3.915 13.528 16.705 1.00 52.41 H new ATOM 0 HB3 HIS A 111 5.421 13.512 15.808 1.00 52.41 H new ATOM 0 HD2 HIS A 111 6.872 16.117 16.033 1.00 72.25 H new ATOM 0 HE1 HIS A 111 5.094 16.968 19.778 1.00 31.41 H new ATOM 0 HE2 HIS A 111 6.965 17.582 18.176 1.00 70.14 H new ATOM 1765 N HIS A 112 1.834 15.220 16.154 1.00 32.53 N ATOM 1766 CA HIS A 112 0.744 16.066 16.678 1.00 53.15 C ATOM 1767 C HIS A 112 0.999 16.329 18.181 1.00 63.21 C ATOM 1768 O HIS A 112 1.625 17.354 18.515 1.00 53.21 O ATOM 1769 CB HIS A 112 -0.635 15.393 16.437 1.00 23.23 C ATOM 1770 CG HIS A 112 -0.925 15.056 15.001 1.00 21.44 C ATOM 1771 ND1 HIS A 112 -1.459 13.851 14.612 1.00 61.22 N ATOM 1772 CD2 HIS A 112 -0.741 15.764 13.857 1.00 73.33 C ATOM 1773 CE1 HIS A 112 -1.598 13.831 13.306 1.00 63.03 C ATOM 1774 NE2 HIS A 112 -1.167 14.983 12.820 1.00 35.33 N ATOM 1775 OXT HIS A 112 0.631 15.481 19.019 1.00 37.35 O ATOM 0 H HIS A 112 1.853 14.284 16.558 1.00 32.53 H new ATOM 0 HA HIS A 112 0.726 17.020 16.152 1.00 53.15 H new ATOM 0 HB2 HIS A 112 -0.687 14.479 17.028 1.00 23.23 H new ATOM 0 HB3 HIS A 112 -1.417 16.056 16.806 1.00 23.23 H new ATOM 0 HD2 HIS A 112 -0.333 16.761 13.781 1.00 73.33 H new ATOM 0 HE1 HIS A 112 -1.997 13.012 12.727 1.00 63.03 H new ATOM 0 HE2 HIS A 112 -1.155 15.245 11.834 1.00 35.33 H new TER 1784 HIS A 112