USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 634 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 Single : A 1 MET CE :methyl -162:sc= -0.0361 (180deg=-0.367) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -151:sc= 0.0864 (180deg=0.0173) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.17) USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00707) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 34:sc= 0.456 USER MOD Single : A 34 ASN : amide:sc= -0.165 K(o=-0.16,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc=-0.000749 (180deg=-0.06) USER MOD Single : A 42 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.26) USER MOD Single : A 43 THR OG1 : rot 150:sc= -0.171 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.0135 (180deg=-0.17) USER MOD Single : A 49 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0169) USER MOD Single : A 50 MET CE :methyl -141:sc= -1.2 (180deg=-1.9!) USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00419) USER MOD Single : A 55 LYS NZ :NH3+ 136:sc= 0.144 (180deg=-0.757) USER MOD Single : A 56 LYS NZ :NH3+ -143:sc= -0.587 (180deg=-2.69!) USER MOD Single : A 58 LYS NZ :NH3+ 135:sc= -0.263 (180deg=-1.71!) USER MOD Single : A 60 ASN : amide:sc=-0.000908 X(o=-0.00091,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -138:sc= 0.9 (180deg=0.046) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 69 SER OG : rot -50:sc= -0.24 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 73 HIS : no HE2:sc= -0.304 K(o=-0.3,f=-1.8) USER MOD Single : A 74 HIS : no HD1:sc= -0.206 X(o=-0.21,f=0.035) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0.219 K(o=0.22,f=-0.82) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.860 14.270 -4.424 1.00 12.53 N ATOM 2 CA MET A 1 0.328 13.074 -5.100 1.00 60.24 C ATOM 3 C MET A 1 1.468 12.103 -5.423 1.00 21.32 C ATOM 4 O MET A 1 2.204 12.290 -6.400 1.00 34.21 O ATOM 5 CB MET A 1 -0.484 13.474 -6.365 1.00 22.35 C ATOM 6 CG MET A 1 -1.128 12.296 -7.125 1.00 60.13 C ATOM 7 SD MET A 1 -2.351 12.823 -8.350 1.00 65.32 S ATOM 8 CE MET A 1 -3.681 13.429 -7.302 1.00 65.11 C ATOM 0 H1 MET A 1 0.080 14.923 -4.209 1.00 12.53 H new ATOM 0 H2 MET A 1 1.330 13.989 -3.540 1.00 12.53 H new ATOM 0 H3 MET A 1 1.546 14.744 -5.046 1.00 12.53 H new ATOM 0 HA MET A 1 -0.362 12.559 -4.431 1.00 60.24 H new ATOM 0 HB2 MET A 1 -1.270 14.169 -6.069 1.00 22.35 H new ATOM 0 HB3 MET A 1 0.176 14.010 -7.047 1.00 22.35 H new ATOM 0 HG2 MET A 1 -0.346 11.723 -7.624 1.00 60.13 H new ATOM 0 HG3 MET A 1 -1.605 11.627 -6.409 1.00 60.13 H new ATOM 0 HE1 MET A 1 -4.604 13.484 -7.880 1.00 65.11 H new ATOM 0 HE2 MET A 1 -3.820 12.750 -6.461 1.00 65.11 H new ATOM 0 HE3 MET A 1 -3.427 14.421 -6.929 1.00 65.11 H new ATOM 20 N VAL A 2 1.628 11.087 -4.560 1.00 61.32 N ATOM 21 CA VAL A 2 2.671 10.056 -4.685 1.00 33.02 C ATOM 22 C VAL A 2 1.994 8.709 -4.987 1.00 1.21 C ATOM 23 O VAL A 2 1.173 8.235 -4.203 1.00 25.21 O ATOM 24 CB VAL A 2 3.546 9.958 -3.374 1.00 15.31 C ATOM 25 CG1 VAL A 2 4.657 8.883 -3.498 1.00 11.14 C ATOM 26 CG2 VAL A 2 4.148 11.339 -3.017 1.00 31.20 C ATOM 0 H VAL A 2 1.029 10.957 -3.745 1.00 61.32 H new ATOM 0 HA VAL A 2 3.345 10.325 -5.499 1.00 33.02 H new ATOM 0 HB VAL A 2 2.888 9.647 -2.563 1.00 15.31 H new ATOM 0 HG11 VAL A 2 5.235 8.849 -2.574 1.00 11.14 H new ATOM 0 HG12 VAL A 2 4.202 7.909 -3.678 1.00 11.14 H new ATOM 0 HG13 VAL A 2 5.316 9.135 -4.329 1.00 11.14 H new ATOM 0 HG21 VAL A 2 4.748 11.251 -2.111 1.00 31.20 H new ATOM 0 HG22 VAL A 2 4.778 11.684 -3.837 1.00 31.20 H new ATOM 0 HG23 VAL A 2 3.343 12.055 -2.851 1.00 31.20 H new ATOM 36 N ASP A 3 2.359 8.109 -6.119 1.00 71.32 N ATOM 37 CA ASP A 3 1.742 6.884 -6.637 1.00 73.33 C ATOM 38 C ASP A 3 2.535 5.652 -6.168 1.00 2.40 C ATOM 39 O ASP A 3 3.654 5.402 -6.623 1.00 10.25 O ATOM 40 CB ASP A 3 1.675 6.956 -8.185 1.00 65.01 C ATOM 41 CG ASP A 3 1.130 5.684 -8.868 1.00 34.42 C ATOM 42 OD1 ASP A 3 0.136 5.087 -8.386 1.00 34.13 O ATOM 43 OD2 ASP A 3 1.664 5.303 -9.924 1.00 42.20 O ATOM 0 H ASP A 3 3.106 8.466 -6.715 1.00 71.32 H new ATOM 0 HA ASP A 3 0.727 6.792 -6.251 1.00 73.33 H new ATOM 0 HB2 ASP A 3 1.048 7.801 -8.469 1.00 65.01 H new ATOM 0 HB3 ASP A 3 2.675 7.158 -8.569 1.00 65.01 H new ATOM 48 N LEU A 4 1.972 4.918 -5.209 1.00 43.02 N ATOM 49 CA LEU A 4 2.534 3.657 -4.715 1.00 60.44 C ATOM 50 C LEU A 4 1.744 2.479 -5.312 1.00 52.43 C ATOM 51 O LEU A 4 0.551 2.309 -5.019 1.00 50.43 O ATOM 52 CB LEU A 4 2.495 3.625 -3.158 1.00 63.02 C ATOM 53 CG LEU A 4 3.191 4.827 -2.434 1.00 35.41 C ATOM 54 CD1 LEU A 4 3.160 4.670 -0.895 1.00 72.02 C ATOM 55 CD2 LEU A 4 4.633 5.024 -2.942 1.00 40.11 C ATOM 0 H LEU A 4 1.103 5.184 -4.746 1.00 43.02 H new ATOM 0 HA LEU A 4 3.576 3.573 -5.025 1.00 60.44 H new ATOM 0 HB2 LEU A 4 1.453 3.588 -2.840 1.00 63.02 H new ATOM 0 HB3 LEU A 4 2.964 2.701 -2.820 1.00 63.02 H new ATOM 0 HG LEU A 4 2.621 5.723 -2.679 1.00 35.41 H new ATOM 0 HD11 LEU A 4 3.653 5.525 -0.432 1.00 72.02 H new ATOM 0 HD12 LEU A 4 2.126 4.620 -0.555 1.00 72.02 H new ATOM 0 HD13 LEU A 4 3.680 3.754 -0.612 1.00 72.02 H new ATOM 0 HD21 LEU A 4 5.090 5.865 -2.421 1.00 40.11 H new ATOM 0 HD22 LEU A 4 5.213 4.121 -2.751 1.00 40.11 H new ATOM 0 HD23 LEU A 4 4.617 5.226 -4.013 1.00 40.11 H new ATOM 67 N LYS A 5 2.403 1.683 -6.165 1.00 53.02 N ATOM 68 CA LYS A 5 1.818 0.452 -6.720 1.00 24.21 C ATOM 69 C LYS A 5 2.483 -0.744 -6.049 1.00 31.32 C ATOM 70 O LYS A 5 3.676 -0.966 -6.240 1.00 54.04 O ATOM 71 CB LYS A 5 1.992 0.359 -8.258 1.00 43.14 C ATOM 72 CG LYS A 5 1.472 1.571 -9.062 1.00 12.33 C ATOM 73 CD LYS A 5 1.408 1.270 -10.582 1.00 30.25 C ATOM 74 CE LYS A 5 1.100 2.509 -11.426 1.00 74.42 C ATOM 75 NZ LYS A 5 -0.098 3.247 -10.946 1.00 72.13 N ATOM 0 H LYS A 5 3.352 1.872 -6.489 1.00 53.02 H new ATOM 0 HA LYS A 5 0.746 0.461 -6.522 1.00 24.21 H new ATOM 0 HB2 LYS A 5 3.051 0.227 -8.479 1.00 43.14 H new ATOM 0 HB3 LYS A 5 1.479 -0.536 -8.610 1.00 43.14 H new ATOM 0 HG2 LYS A 5 0.480 1.846 -8.704 1.00 12.33 H new ATOM 0 HG3 LYS A 5 2.122 2.428 -8.888 1.00 12.33 H new ATOM 0 HD2 LYS A 5 2.360 0.846 -10.903 1.00 30.25 H new ATOM 0 HD3 LYS A 5 0.644 0.514 -10.765 1.00 30.25 H new ATOM 0 HE2 LYS A 5 1.962 3.176 -11.413 1.00 74.42 H new ATOM 0 HE3 LYS A 5 0.945 2.208 -12.462 1.00 74.42 H new ATOM 0 HZ1 LYS A 5 -0.551 3.731 -11.747 1.00 72.13 H new ATOM 0 HZ2 LYS A 5 -0.771 2.578 -10.520 1.00 72.13 H new ATOM 0 HZ3 LYS A 5 0.189 3.949 -10.234 1.00 72.13 H new ATOM 89 N ILE A 6 1.733 -1.509 -5.253 1.00 45.43 N ATOM 90 CA ILE A 6 2.290 -2.651 -4.512 1.00 23.33 C ATOM 91 C ILE A 6 1.890 -3.946 -5.236 1.00 33.35 C ATOM 92 O ILE A 6 0.694 -4.230 -5.405 1.00 60.40 O ATOM 93 CB ILE A 6 1.828 -2.693 -3.000 1.00 30.32 C ATOM 94 CG1 ILE A 6 2.352 -1.443 -2.193 1.00 14.42 C ATOM 95 CG2 ILE A 6 2.280 -4.019 -2.317 1.00 54.41 C ATOM 96 CD1 ILE A 6 1.612 -0.130 -2.428 1.00 4.42 C ATOM 0 H ILE A 6 0.735 -1.361 -5.102 1.00 45.43 H new ATOM 0 HA ILE A 6 3.374 -2.543 -4.490 1.00 23.33 H new ATOM 0 HB ILE A 6 0.739 -2.655 -2.993 1.00 30.32 H new ATOM 0 HG12 ILE A 6 2.304 -1.677 -1.130 1.00 14.42 H new ATOM 0 HG13 ILE A 6 3.403 -1.292 -2.439 1.00 14.42 H new ATOM 0 HG21 ILE A 6 1.950 -4.024 -1.278 1.00 54.41 H new ATOM 0 HG22 ILE A 6 1.839 -4.867 -2.841 1.00 54.41 H new ATOM 0 HG23 ILE A 6 3.367 -4.095 -2.353 1.00 54.41 H new ATOM 0 HD11 ILE A 6 2.062 0.655 -1.820 1.00 4.42 H new ATOM 0 HD12 ILE A 6 1.680 0.143 -3.481 1.00 4.42 H new ATOM 0 HD13 ILE A 6 0.564 -0.248 -2.151 1.00 4.42 H new ATOM 108 N ASP A 7 2.908 -4.705 -5.686 1.00 42.22 N ATOM 109 CA ASP A 7 2.731 -6.050 -6.249 1.00 34.24 C ATOM 110 C ASP A 7 2.273 -7.000 -5.137 1.00 2.22 C ATOM 111 O ASP A 7 2.948 -7.111 -4.107 1.00 43.31 O ATOM 112 CB ASP A 7 4.063 -6.573 -6.858 1.00 64.50 C ATOM 113 CG ASP A 7 4.569 -5.747 -8.057 1.00 11.40 C ATOM 114 OD1 ASP A 7 5.004 -4.589 -7.858 1.00 45.00 O ATOM 115 OD2 ASP A 7 4.563 -6.259 -9.199 1.00 12.33 O ATOM 0 H ASP A 7 3.880 -4.397 -5.667 1.00 42.22 H new ATOM 0 HA ASP A 7 1.983 -6.005 -7.040 1.00 34.24 H new ATOM 0 HB2 ASP A 7 4.829 -6.576 -6.083 1.00 64.50 H new ATOM 0 HB3 ASP A 7 3.925 -7.607 -7.174 1.00 64.50 H new ATOM 120 N VAL A 8 1.116 -7.648 -5.327 1.00 72.22 N ATOM 121 CA VAL A 8 0.555 -8.597 -4.341 1.00 62.15 C ATOM 122 C VAL A 8 0.526 -10.030 -4.900 1.00 10.22 C ATOM 123 O VAL A 8 0.437 -10.246 -6.115 1.00 61.24 O ATOM 124 CB VAL A 8 -0.877 -8.166 -3.849 1.00 72.25 C ATOM 125 CG1 VAL A 8 -0.796 -6.866 -3.009 1.00 71.32 C ATOM 126 CG2 VAL A 8 -1.874 -8.015 -5.033 1.00 71.10 C ATOM 0 H VAL A 8 0.541 -7.534 -6.162 1.00 72.22 H new ATOM 0 HA VAL A 8 1.217 -8.578 -3.476 1.00 62.15 H new ATOM 0 HB VAL A 8 -1.262 -8.961 -3.210 1.00 72.25 H new ATOM 0 HG11 VAL A 8 -1.795 -6.584 -2.678 1.00 71.32 H new ATOM 0 HG12 VAL A 8 -0.160 -7.033 -2.140 1.00 71.32 H new ATOM 0 HG13 VAL A 8 -0.376 -6.065 -3.618 1.00 71.32 H new ATOM 0 HG21 VAL A 8 -2.850 -7.717 -4.651 1.00 71.10 H new ATOM 0 HG22 VAL A 8 -1.507 -7.255 -5.723 1.00 71.10 H new ATOM 0 HG23 VAL A 8 -1.965 -8.967 -5.556 1.00 71.10 H new ATOM 136 N SER A 9 0.636 -10.991 -3.976 1.00 22.12 N ATOM 137 CA SER A 9 0.653 -12.432 -4.272 1.00 64.24 C ATOM 138 C SER A 9 -0.760 -12.955 -4.583 1.00 71.31 C ATOM 139 O SER A 9 -0.931 -13.843 -5.431 1.00 55.11 O ATOM 140 CB SER A 9 1.261 -13.187 -3.062 1.00 70.43 C ATOM 141 OG SER A 9 1.338 -14.587 -3.276 1.00 44.34 O ATOM 0 H SER A 9 0.718 -10.787 -2.980 1.00 22.12 H new ATOM 0 HA SER A 9 1.264 -12.605 -5.158 1.00 64.24 H new ATOM 0 HB2 SER A 9 2.259 -12.798 -2.860 1.00 70.43 H new ATOM 0 HB3 SER A 9 0.658 -12.991 -2.176 1.00 70.43 H new ATOM 0 HG SER A 9 1.729 -15.018 -2.487 1.00 44.34 H new ATOM 147 N ASP A 10 -1.765 -12.375 -3.909 1.00 61.33 N ATOM 148 CA ASP A 10 -3.137 -12.911 -3.881 1.00 13.12 C ATOM 149 C ASP A 10 -4.129 -11.832 -3.397 1.00 23.15 C ATOM 150 O ASP A 10 -3.749 -10.661 -3.212 1.00 73.22 O ATOM 151 CB ASP A 10 -3.169 -14.175 -2.967 1.00 1.41 C ATOM 152 CG ASP A 10 -2.811 -13.864 -1.498 1.00 20.13 C ATOM 153 OD1 ASP A 10 -1.618 -13.669 -1.185 1.00 62.02 O ATOM 154 OD2 ASP A 10 -3.712 -13.808 -0.655 1.00 71.23 O ATOM 0 H ASP A 10 -1.650 -11.519 -3.366 1.00 61.33 H new ATOM 0 HA ASP A 10 -3.443 -13.200 -4.887 1.00 13.12 H new ATOM 0 HB2 ASP A 10 -4.163 -14.621 -3.007 1.00 1.41 H new ATOM 0 HB3 ASP A 10 -2.471 -14.916 -3.356 1.00 1.41 H new ATOM 159 N ASP A 11 -5.390 -12.248 -3.150 1.00 22.33 N ATOM 160 CA ASP A 11 -6.487 -11.325 -2.787 1.00 61.42 C ATOM 161 C ASP A 11 -6.411 -10.962 -1.298 1.00 52.23 C ATOM 162 O ASP A 11 -6.673 -9.817 -0.918 1.00 70.12 O ATOM 163 CB ASP A 11 -7.875 -11.947 -3.104 1.00 51.55 C ATOM 164 CG ASP A 11 -8.130 -12.115 -4.614 1.00 50.13 C ATOM 165 OD1 ASP A 11 -8.636 -11.159 -5.249 1.00 44.44 O ATOM 166 OD2 ASP A 11 -7.826 -13.192 -5.164 1.00 72.21 O ATOM 0 H ASP A 11 -5.675 -13.226 -3.196 1.00 22.33 H new ATOM 0 HA ASP A 11 -6.370 -10.421 -3.385 1.00 61.42 H new ATOM 0 HB2 ASP A 11 -7.950 -12.920 -2.618 1.00 51.55 H new ATOM 0 HB3 ASP A 11 -8.655 -11.317 -2.678 1.00 51.55 H new ATOM 171 N GLU A 12 -6.038 -11.946 -0.463 1.00 23.41 N ATOM 172 CA GLU A 12 -6.006 -11.789 0.996 1.00 64.32 C ATOM 173 C GLU A 12 -4.874 -10.828 1.417 1.00 64.32 C ATOM 174 O GLU A 12 -5.087 -9.962 2.263 1.00 22.34 O ATOM 175 CB GLU A 12 -5.840 -13.163 1.686 1.00 63.24 C ATOM 176 CG GLU A 12 -5.917 -13.117 3.222 1.00 45.31 C ATOM 177 CD GLU A 12 -5.582 -14.465 3.879 1.00 1.44 C ATOM 178 OE1 GLU A 12 -4.389 -14.721 4.147 1.00 44.22 O ATOM 179 OE2 GLU A 12 -6.505 -15.272 4.126 1.00 5.45 O ATOM 0 H GLU A 12 -5.751 -12.871 -0.783 1.00 23.41 H new ATOM 0 HA GLU A 12 -6.955 -11.357 1.315 1.00 64.32 H new ATOM 0 HB2 GLU A 12 -6.612 -13.837 1.316 1.00 63.24 H new ATOM 0 HB3 GLU A 12 -4.879 -13.588 1.395 1.00 63.24 H new ATOM 0 HG2 GLU A 12 -5.229 -12.357 3.592 1.00 45.31 H new ATOM 0 HG3 GLU A 12 -6.920 -12.812 3.521 1.00 45.31 H new ATOM 186 N GLU A 13 -3.675 -10.991 0.803 1.00 2.11 N ATOM 187 CA GLU A 13 -2.518 -10.109 1.064 1.00 65.05 C ATOM 188 C GLU A 13 -2.831 -8.658 0.681 1.00 63.32 C ATOM 189 O GLU A 13 -2.481 -7.726 1.412 1.00 5.33 O ATOM 190 CB GLU A 13 -1.250 -10.597 0.320 1.00 13.43 C ATOM 191 CG GLU A 13 0.008 -9.764 0.641 1.00 62.32 C ATOM 192 CD GLU A 13 1.284 -10.278 -0.033 1.00 12.13 C ATOM 193 OE1 GLU A 13 1.487 -10.007 -1.230 1.00 21.01 O ATOM 194 OE2 GLU A 13 2.100 -10.940 0.638 1.00 65.45 O ATOM 0 H GLU A 13 -3.488 -11.728 0.123 1.00 2.11 H new ATOM 0 HA GLU A 13 -2.319 -10.150 2.135 1.00 65.05 H new ATOM 0 HB2 GLU A 13 -1.063 -11.639 0.581 1.00 13.43 H new ATOM 0 HB3 GLU A 13 -1.433 -10.565 -0.754 1.00 13.43 H new ATOM 0 HG2 GLU A 13 -0.163 -8.733 0.333 1.00 62.32 H new ATOM 0 HG3 GLU A 13 0.159 -9.753 1.721 1.00 62.32 H new ATOM 201 N ALA A 14 -3.530 -8.499 -0.453 1.00 63.51 N ATOM 202 CA ALA A 14 -4.002 -7.191 -0.921 1.00 71.44 C ATOM 203 C ALA A 14 -4.917 -6.533 0.129 1.00 51.31 C ATOM 204 O ALA A 14 -4.762 -5.354 0.430 1.00 62.24 O ATOM 205 CB ALA A 14 -4.720 -7.348 -2.266 1.00 33.43 C ATOM 0 H ALA A 14 -3.782 -9.272 -1.068 1.00 63.51 H new ATOM 0 HA ALA A 14 -3.144 -6.534 -1.064 1.00 71.44 H new ATOM 0 HB1 ALA A 14 -5.068 -6.374 -2.608 1.00 33.43 H new ATOM 0 HB2 ALA A 14 -4.031 -7.765 -3.000 1.00 33.43 H new ATOM 0 HB3 ALA A 14 -5.572 -8.017 -2.147 1.00 33.43 H new ATOM 211 N GLU A 15 -5.828 -7.340 0.706 1.00 13.21 N ATOM 212 CA GLU A 15 -6.725 -6.904 1.794 1.00 63.22 C ATOM 213 C GLU A 15 -5.946 -6.475 3.056 1.00 13.12 C ATOM 214 O GLU A 15 -6.345 -5.521 3.734 1.00 24.01 O ATOM 215 CB GLU A 15 -7.730 -8.035 2.133 1.00 63.02 C ATOM 216 CG GLU A 15 -8.866 -8.212 1.109 1.00 42.54 C ATOM 217 CD GLU A 15 -9.770 -6.965 1.002 1.00 23.33 C ATOM 218 OE1 GLU A 15 -10.500 -6.672 1.975 1.00 75.54 O ATOM 219 OE2 GLU A 15 -9.762 -6.280 -0.046 1.00 71.10 O ATOM 0 H GLU A 15 -5.963 -8.313 0.431 1.00 13.21 H new ATOM 0 HA GLU A 15 -7.270 -6.027 1.443 1.00 63.22 H new ATOM 0 HB2 GLU A 15 -7.184 -8.975 2.216 1.00 63.02 H new ATOM 0 HB3 GLU A 15 -8.168 -7.833 3.110 1.00 63.02 H new ATOM 0 HG2 GLU A 15 -8.437 -8.430 0.131 1.00 42.54 H new ATOM 0 HG3 GLU A 15 -9.473 -9.073 1.390 1.00 42.54 H new ATOM 226 N LYS A 16 -4.839 -7.182 3.356 1.00 55.41 N ATOM 227 CA LYS A 16 -3.955 -6.846 4.492 1.00 44.15 C ATOM 228 C LYS A 16 -3.308 -5.463 4.284 1.00 42.44 C ATOM 229 O LYS A 16 -3.184 -4.698 5.232 1.00 45.33 O ATOM 230 CB LYS A 16 -2.844 -7.911 4.663 1.00 0.45 C ATOM 231 CG LYS A 16 -3.338 -9.356 4.878 1.00 73.23 C ATOM 232 CD LYS A 16 -2.177 -10.381 4.885 1.00 14.11 C ATOM 233 CE LYS A 16 -2.673 -11.835 4.863 1.00 3.10 C ATOM 234 NZ LYS A 16 -1.558 -12.815 4.735 1.00 44.33 N ATOM 0 H LYS A 16 -4.533 -7.996 2.823 1.00 55.41 H new ATOM 0 HA LYS A 16 -4.568 -6.826 5.393 1.00 44.15 H new ATOM 0 HB2 LYS A 16 -2.206 -7.891 3.779 1.00 0.45 H new ATOM 0 HB3 LYS A 16 -2.221 -7.628 5.512 1.00 0.45 H new ATOM 0 HG2 LYS A 16 -3.878 -9.416 5.823 1.00 73.23 H new ATOM 0 HG3 LYS A 16 -4.045 -9.617 4.090 1.00 73.23 H new ATOM 0 HD2 LYS A 16 -1.537 -10.206 4.020 1.00 14.11 H new ATOM 0 HD3 LYS A 16 -1.563 -10.224 5.772 1.00 14.11 H new ATOM 0 HE2 LYS A 16 -3.230 -12.040 5.778 1.00 3.10 H new ATOM 0 HE3 LYS A 16 -3.366 -11.967 4.032 1.00 3.10 H new ATOM 0 HZ1 LYS A 16 -1.944 -13.781 4.725 1.00 44.33 H new ATOM 0 HZ2 LYS A 16 -1.041 -12.639 3.850 1.00 44.33 H new ATOM 0 HZ3 LYS A 16 -0.909 -12.710 5.541 1.00 44.33 H new ATOM 248 N ILE A 17 -2.916 -5.163 3.026 1.00 23.43 N ATOM 249 CA ILE A 17 -2.291 -3.873 2.660 1.00 34.03 C ATOM 250 C ILE A 17 -3.311 -2.729 2.798 1.00 43.52 C ATOM 251 O ILE A 17 -3.046 -1.740 3.471 1.00 63.31 O ATOM 252 CB ILE A 17 -1.712 -3.903 1.187 1.00 65.24 C ATOM 253 CG1 ILE A 17 -0.665 -5.050 1.028 1.00 50.04 C ATOM 254 CG2 ILE A 17 -1.096 -2.538 0.774 1.00 72.11 C ATOM 255 CD1 ILE A 17 0.509 -4.988 1.991 1.00 45.12 C ATOM 0 H ILE A 17 -3.023 -5.804 2.240 1.00 23.43 H new ATOM 0 HA ILE A 17 -1.460 -3.703 3.345 1.00 34.03 H new ATOM 0 HB ILE A 17 -2.549 -4.097 0.516 1.00 65.24 H new ATOM 0 HG12 ILE A 17 -1.173 -6.005 1.159 1.00 50.04 H new ATOM 0 HG13 ILE A 17 -0.280 -5.031 0.008 1.00 50.04 H new ATOM 0 HG21 ILE A 17 -0.711 -2.605 -0.244 1.00 72.11 H new ATOM 0 HG22 ILE A 17 -1.862 -1.764 0.822 1.00 72.11 H new ATOM 0 HG23 ILE A 17 -0.282 -2.286 1.454 1.00 72.11 H new ATOM 0 HD11 ILE A 17 1.180 -5.826 1.802 1.00 45.12 H new ATOM 0 HD12 ILE A 17 1.049 -4.052 1.847 1.00 45.12 H new ATOM 0 HD13 ILE A 17 0.142 -5.041 3.016 1.00 45.12 H new ATOM 267 N ILE A 18 -4.483 -2.911 2.162 1.00 22.11 N ATOM 268 CA ILE A 18 -5.599 -1.944 2.180 1.00 41.31 C ATOM 269 C ILE A 18 -6.029 -1.617 3.629 1.00 42.44 C ATOM 270 O ILE A 18 -6.291 -0.451 3.967 1.00 2.41 O ATOM 271 CB ILE A 18 -6.810 -2.515 1.338 1.00 63.23 C ATOM 272 CG1 ILE A 18 -6.381 -2.696 -0.162 1.00 23.14 C ATOM 273 CG2 ILE A 18 -8.075 -1.628 1.447 1.00 63.33 C ATOM 274 CD1 ILE A 18 -7.433 -3.317 -1.062 1.00 53.25 C ATOM 0 H ILE A 18 -4.685 -3.746 1.613 1.00 22.11 H new ATOM 0 HA ILE A 18 -5.265 -1.011 1.725 1.00 41.31 H new ATOM 0 HB ILE A 18 -7.074 -3.486 1.756 1.00 63.23 H new ATOM 0 HG12 ILE A 18 -6.109 -1.721 -0.566 1.00 23.14 H new ATOM 0 HG13 ILE A 18 -5.485 -3.316 -0.195 1.00 23.14 H new ATOM 0 HG21 ILE A 18 -8.877 -2.063 0.851 1.00 63.33 H new ATOM 0 HG22 ILE A 18 -8.389 -1.568 2.489 1.00 63.33 H new ATOM 0 HG23 ILE A 18 -7.851 -0.627 1.077 1.00 63.33 H new ATOM 0 HD11 ILE A 18 -7.042 -3.400 -2.076 1.00 53.25 H new ATOM 0 HD12 ILE A 18 -7.690 -4.309 -0.690 1.00 53.25 H new ATOM 0 HD13 ILE A 18 -8.324 -2.689 -1.067 1.00 53.25 H new ATOM 286 N ARG A 19 -6.029 -2.655 4.485 1.00 22.14 N ATOM 287 CA ARG A 19 -6.390 -2.526 5.905 1.00 51.04 C ATOM 288 C ARG A 19 -5.313 -1.720 6.643 1.00 3.12 C ATOM 289 O ARG A 19 -5.599 -0.671 7.209 1.00 64.03 O ATOM 290 CB ARG A 19 -6.574 -3.925 6.551 1.00 21.41 C ATOM 291 CG ARG A 19 -7.266 -3.910 7.930 1.00 52.32 C ATOM 292 CD ARG A 19 -7.219 -5.278 8.630 1.00 44.54 C ATOM 293 NE ARG A 19 -5.841 -5.631 9.031 1.00 0.02 N ATOM 294 CZ ARG A 19 -5.369 -6.876 9.208 1.00 33.33 C ATOM 295 NH1 ARG A 19 -6.143 -7.941 9.016 1.00 54.34 N ATOM 296 NH2 ARG A 19 -4.114 -7.040 9.600 1.00 61.02 N ATOM 0 H ARG A 19 -5.779 -3.605 4.210 1.00 22.14 H new ATOM 0 HA ARG A 19 -7.339 -1.995 5.983 1.00 51.04 H new ATOM 0 HB2 ARG A 19 -7.156 -4.550 5.874 1.00 21.41 H new ATOM 0 HB3 ARG A 19 -5.596 -4.394 6.655 1.00 21.41 H new ATOM 0 HG2 ARG A 19 -6.787 -3.165 8.565 1.00 52.32 H new ATOM 0 HG3 ARG A 19 -8.305 -3.604 7.808 1.00 52.32 H new ATOM 0 HD2 ARG A 19 -7.862 -5.261 9.510 1.00 44.54 H new ATOM 0 HD3 ARG A 19 -7.613 -6.044 7.962 1.00 44.54 H new ATOM 0 HE ARG A 19 -5.191 -4.861 9.187 1.00 0.02 H new ATOM 0 HH11 ARG A 19 -7.114 -7.820 8.729 1.00 54.34 H new ATOM 0 HH12 ARG A 19 -5.765 -8.878 9.156 1.00 54.34 H new ATOM 0 HH21 ARG A 19 -3.520 -6.227 9.763 1.00 61.02 H new ATOM 0 HH22 ARG A 19 -3.742 -7.979 9.739 1.00 61.02 H new ATOM 310 N GLU A 20 -4.067 -2.211 6.549 1.00 54.24 N ATOM 311 CA GLU A 20 -2.885 -1.633 7.211 1.00 51.22 C ATOM 312 C GLU A 20 -2.725 -0.130 6.910 1.00 74.53 C ATOM 313 O GLU A 20 -2.414 0.662 7.805 1.00 43.34 O ATOM 314 CB GLU A 20 -1.637 -2.417 6.741 1.00 2.43 C ATOM 315 CG GLU A 20 -0.272 -1.900 7.240 1.00 3.21 C ATOM 316 CD GLU A 20 -0.012 -2.047 8.750 1.00 21.44 C ATOM 317 OE1 GLU A 20 0.045 -3.191 9.242 1.00 75.54 O ATOM 318 OE2 GLU A 20 0.181 -1.024 9.446 1.00 23.50 O ATOM 0 H GLU A 20 -3.848 -3.041 5.998 1.00 54.24 H new ATOM 0 HA GLU A 20 -3.008 -1.720 8.291 1.00 51.22 H new ATOM 0 HB2 GLU A 20 -1.746 -3.454 7.058 1.00 2.43 H new ATOM 0 HB3 GLU A 20 -1.624 -2.417 5.651 1.00 2.43 H new ATOM 0 HG2 GLU A 20 0.515 -2.429 6.702 1.00 3.21 H new ATOM 0 HG3 GLU A 20 -0.185 -0.846 6.976 1.00 3.21 H new ATOM 325 N ILE A 21 -2.971 0.252 5.646 1.00 22.43 N ATOM 326 CA ILE A 21 -2.860 1.649 5.223 1.00 31.24 C ATOM 327 C ILE A 21 -4.032 2.478 5.781 1.00 32.31 C ATOM 328 O ILE A 21 -3.805 3.539 6.332 1.00 1.43 O ATOM 329 CB ILE A 21 -2.781 1.795 3.659 1.00 31.43 C ATOM 330 CG1 ILE A 21 -1.560 1.006 3.075 1.00 54.05 C ATOM 331 CG2 ILE A 21 -2.715 3.282 3.229 1.00 72.50 C ATOM 332 CD1 ILE A 21 -0.185 1.447 3.570 1.00 24.31 C ATOM 0 H ILE A 21 -3.248 -0.390 4.903 1.00 22.43 H new ATOM 0 HA ILE A 21 -1.925 2.033 5.631 1.00 31.24 H new ATOM 0 HB ILE A 21 -3.696 1.364 3.251 1.00 31.43 H new ATOM 0 HG12 ILE A 21 -1.688 -0.051 3.310 1.00 54.05 H new ATOM 0 HG13 ILE A 21 -1.580 1.095 1.989 1.00 54.05 H new ATOM 0 HG21 ILE A 21 -2.661 3.344 2.142 1.00 72.50 H new ATOM 0 HG22 ILE A 21 -3.607 3.802 3.579 1.00 72.50 H new ATOM 0 HG23 ILE A 21 -1.830 3.747 3.663 1.00 72.50 H new ATOM 0 HD11 ILE A 21 0.584 0.834 3.101 1.00 24.31 H new ATOM 0 HD12 ILE A 21 -0.023 2.493 3.310 1.00 24.31 H new ATOM 0 HD13 ILE A 21 -0.133 1.330 4.652 1.00 24.31 H new ATOM 344 N ARG A 22 -5.278 1.973 5.666 1.00 42.34 N ATOM 345 CA ARG A 22 -6.488 2.771 6.014 1.00 24.20 C ATOM 346 C ARG A 22 -6.791 2.816 7.526 1.00 73.51 C ATOM 347 O ARG A 22 -7.609 3.638 7.956 1.00 5.34 O ATOM 348 CB ARG A 22 -7.723 2.319 5.197 1.00 11.20 C ATOM 349 CG ARG A 22 -7.572 2.604 3.683 1.00 54.32 C ATOM 350 CD ARG A 22 -8.887 2.492 2.896 1.00 75.23 C ATOM 351 NE ARG A 22 -9.472 1.139 2.921 1.00 0.44 N ATOM 352 CZ ARG A 22 -10.642 0.793 2.350 1.00 71.22 C ATOM 353 NH1 ARG A 22 -11.380 1.686 1.695 1.00 72.02 N ATOM 354 NH2 ARG A 22 -11.060 -0.455 2.426 1.00 15.45 N ATOM 0 H ARG A 22 -5.479 1.028 5.339 1.00 42.34 H new ATOM 0 HA ARG A 22 -6.253 3.798 5.732 1.00 24.20 H new ATOM 0 HB2 ARG A 22 -7.883 1.251 5.348 1.00 11.20 H new ATOM 0 HB3 ARG A 22 -8.609 2.830 5.573 1.00 11.20 H new ATOM 0 HG2 ARG A 22 -7.165 3.606 3.550 1.00 54.32 H new ATOM 0 HG3 ARG A 22 -6.847 1.907 3.262 1.00 54.32 H new ATOM 0 HD2 ARG A 22 -9.608 3.199 3.306 1.00 75.23 H new ATOM 0 HD3 ARG A 22 -8.708 2.783 1.861 1.00 75.23 H new ATOM 0 HE ARG A 22 -8.951 0.409 3.408 1.00 0.44 H new ATOM 0 HH11 ARG A 22 -11.062 2.652 1.618 1.00 72.02 H new ATOM 0 HH12 ARG A 22 -12.263 1.404 1.269 1.00 72.02 H new ATOM 0 HH21 ARG A 22 -10.498 -1.152 2.915 1.00 15.45 H new ATOM 0 HH22 ARG A 22 -11.945 -0.724 1.996 1.00 15.45 H new ATOM 368 N GLU A 23 -6.150 1.946 8.325 1.00 53.11 N ATOM 369 CA GLU A 23 -6.249 2.000 9.807 1.00 63.52 C ATOM 370 C GLU A 23 -5.525 3.255 10.347 1.00 42.54 C ATOM 371 O GLU A 23 -6.002 3.914 11.279 1.00 63.32 O ATOM 372 CB GLU A 23 -5.669 0.704 10.451 1.00 3.44 C ATOM 373 CG GLU A 23 -6.523 -0.566 10.226 1.00 74.31 C ATOM 374 CD GLU A 23 -5.909 -1.831 10.849 1.00 42.24 C ATOM 375 OE1 GLU A 23 -5.073 -2.494 10.191 1.00 64.23 O ATOM 376 OE2 GLU A 23 -6.243 -2.166 12.005 1.00 23.54 O ATOM 0 H GLU A 23 -5.556 1.194 7.976 1.00 53.11 H new ATOM 0 HA GLU A 23 -7.302 2.065 10.080 1.00 63.52 H new ATOM 0 HB2 GLU A 23 -4.671 0.530 10.049 1.00 3.44 H new ATOM 0 HB3 GLU A 23 -5.558 0.866 11.523 1.00 3.44 H new ATOM 0 HG2 GLU A 23 -7.516 -0.407 10.647 1.00 74.31 H new ATOM 0 HG3 GLU A 23 -6.653 -0.723 9.155 1.00 74.31 H new ATOM 383 N GLN A 24 -4.379 3.584 9.728 1.00 21.11 N ATOM 384 CA GLN A 24 -3.560 4.754 10.097 1.00 52.23 C ATOM 385 C GLN A 24 -3.950 5.979 9.249 1.00 53.10 C ATOM 386 O GLN A 24 -4.039 7.100 9.757 1.00 42.03 O ATOM 387 CB GLN A 24 -2.047 4.440 9.937 1.00 24.20 C ATOM 388 CG GLN A 24 -1.427 3.556 11.050 1.00 15.15 C ATOM 389 CD GLN A 24 -1.969 2.128 11.102 1.00 0.12 C ATOM 390 OE1 GLN A 24 -2.906 1.824 11.839 1.00 50.21 O ATOM 391 NE2 GLN A 24 -1.395 1.242 10.305 1.00 0.01 N ATOM 0 H GLN A 24 -3.992 3.044 8.954 1.00 21.11 H new ATOM 0 HA GLN A 24 -3.752 4.986 11.145 1.00 52.23 H new ATOM 0 HB2 GLN A 24 -1.896 3.945 8.978 1.00 24.20 H new ATOM 0 HB3 GLN A 24 -1.500 5.382 9.899 1.00 24.20 H new ATOM 0 HG2 GLN A 24 -0.347 3.516 10.905 1.00 15.15 H new ATOM 0 HG3 GLN A 24 -1.602 4.033 12.014 1.00 15.15 H new ATOM 0 HE21 GLN A 24 -0.620 1.523 9.705 1.00 0.01 H new ATOM 0 HE22 GLN A 24 -1.728 0.278 10.291 1.00 0.01 H new ATOM 400 N TRP A 25 -4.194 5.744 7.957 1.00 23.22 N ATOM 401 CA TRP A 25 -4.476 6.795 6.961 1.00 10.35 C ATOM 402 C TRP A 25 -5.837 6.506 6.283 1.00 42.31 C ATOM 403 O TRP A 25 -5.881 5.930 5.185 1.00 42.21 O ATOM 404 CB TRP A 25 -3.326 6.868 5.910 1.00 22.21 C ATOM 405 CG TRP A 25 -1.948 7.051 6.509 1.00 2.21 C ATOM 406 CD1 TRP A 25 -1.425 8.200 7.023 1.00 70.30 C ATOM 407 CD2 TRP A 25 -0.928 6.049 6.672 1.00 32.43 C ATOM 408 NE1 TRP A 25 -0.160 7.978 7.488 1.00 55.30 N ATOM 409 CE2 TRP A 25 0.172 6.672 7.280 1.00 43.23 C ATOM 410 CE3 TRP A 25 -0.834 4.691 6.353 1.00 62.02 C ATOM 411 CZ2 TRP A 25 1.344 5.990 7.585 1.00 65.10 C ATOM 412 CZ3 TRP A 25 0.326 4.007 6.660 1.00 24.41 C ATOM 413 CH2 TRP A 25 1.404 4.660 7.267 1.00 73.52 C ATOM 0 H TRP A 25 -4.203 4.804 7.562 1.00 23.22 H new ATOM 0 HA TRP A 25 -4.532 7.764 7.457 1.00 10.35 H new ATOM 0 HB2 TRP A 25 -3.333 5.954 5.316 1.00 22.21 H new ATOM 0 HB3 TRP A 25 -3.525 7.694 5.227 1.00 22.21 H new ATOM 0 HD1 TRP A 25 -1.938 9.150 7.058 1.00 70.30 H new ATOM 0 HE1 TRP A 25 0.441 8.678 7.922 1.00 55.30 H new ATOM 0 HE3 TRP A 25 -1.658 4.184 5.873 1.00 62.02 H new ATOM 0 HZ2 TRP A 25 2.177 6.491 8.056 1.00 65.10 H new ATOM 0 HZ3 TRP A 25 0.402 2.955 6.429 1.00 24.41 H new ATOM 0 HH2 TRP A 25 2.302 4.103 7.489 1.00 73.52 H new ATOM 424 N PRO A 26 -6.985 6.870 6.949 1.00 64.24 N ATOM 425 CA PRO A 26 -8.345 6.559 6.437 1.00 24.02 C ATOM 426 C PRO A 26 -8.790 7.477 5.288 1.00 44.20 C ATOM 427 O PRO A 26 -9.830 7.233 4.672 1.00 44.50 O ATOM 428 CB PRO A 26 -9.228 6.744 7.690 1.00 45.45 C ATOM 429 CG PRO A 26 -8.530 7.794 8.502 1.00 12.35 C ATOM 430 CD PRO A 26 -7.049 7.599 8.254 1.00 71.02 C ATOM 0 HA PRO A 26 -8.403 5.563 5.998 1.00 24.02 H new ATOM 0 HB2 PRO A 26 -10.236 7.059 7.420 1.00 45.45 H new ATOM 0 HB3 PRO A 26 -9.323 5.812 8.247 1.00 45.45 H new ATOM 0 HG2 PRO A 26 -8.847 8.793 8.203 1.00 12.35 H new ATOM 0 HG3 PRO A 26 -8.765 7.688 9.561 1.00 12.35 H new ATOM 0 HD2 PRO A 26 -6.525 8.554 8.202 1.00 71.02 H new ATOM 0 HD3 PRO A 26 -6.584 7.023 9.054 1.00 71.02 H new ATOM 438 N LYS A 27 -8.031 8.555 5.037 1.00 73.14 N ATOM 439 CA LYS A 27 -8.317 9.507 3.945 1.00 65.20 C ATOM 440 C LYS A 27 -7.285 9.394 2.811 1.00 14.52 C ATOM 441 O LYS A 27 -7.361 10.142 1.833 1.00 23.23 O ATOM 442 CB LYS A 27 -8.395 10.955 4.513 1.00 33.23 C ATOM 443 CG LYS A 27 -9.473 11.156 5.605 1.00 23.45 C ATOM 444 CD LYS A 27 -10.897 10.812 5.103 1.00 23.23 C ATOM 445 CE LYS A 27 -11.961 10.917 6.209 1.00 44.30 C ATOM 446 NZ LYS A 27 -12.056 12.284 6.791 1.00 1.45 N ATOM 0 H LYS A 27 -7.203 8.794 5.582 1.00 73.14 H new ATOM 0 HA LYS A 27 -9.284 9.256 3.510 1.00 65.20 H new ATOM 0 HB2 LYS A 27 -7.423 11.223 4.926 1.00 33.23 H new ATOM 0 HB3 LYS A 27 -8.594 11.644 3.692 1.00 33.23 H new ATOM 0 HG2 LYS A 27 -9.234 10.532 6.466 1.00 23.45 H new ATOM 0 HG3 LYS A 27 -9.452 12.191 5.946 1.00 23.45 H new ATOM 0 HD2 LYS A 27 -11.161 11.484 4.286 1.00 23.23 H new ATOM 0 HD3 LYS A 27 -10.900 9.800 4.698 1.00 23.23 H new ATOM 0 HE2 LYS A 27 -12.931 10.632 5.802 1.00 44.30 H new ATOM 0 HE3 LYS A 27 -11.727 10.206 7.001 1.00 44.30 H new ATOM 0 HZ1 LYS A 27 -12.811 12.305 7.506 1.00 1.45 H new ATOM 0 HZ2 LYS A 27 -11.150 12.536 7.236 1.00 1.45 H new ATOM 0 HZ3 LYS A 27 -12.274 12.968 6.038 1.00 1.45 H new ATOM 460 N ALA A 28 -6.299 8.488 2.967 1.00 11.42 N ATOM 461 CA ALA A 28 -5.428 8.059 1.858 1.00 51.13 C ATOM 462 C ALA A 28 -6.267 7.351 0.785 1.00 72.23 C ATOM 463 O ALA A 28 -7.129 6.519 1.120 1.00 24.23 O ATOM 464 CB ALA A 28 -4.321 7.121 2.362 1.00 4.13 C ATOM 0 H ALA A 28 -6.086 8.038 3.857 1.00 11.42 H new ATOM 0 HA ALA A 28 -4.957 8.942 1.427 1.00 51.13 H new ATOM 0 HB1 ALA A 28 -3.692 6.818 1.525 1.00 4.13 H new ATOM 0 HB2 ALA A 28 -3.714 7.640 3.103 1.00 4.13 H new ATOM 0 HB3 ALA A 28 -4.771 6.238 2.816 1.00 4.13 H new ATOM 470 N THR A 29 -6.032 7.682 -0.498 1.00 62.43 N ATOM 471 CA THR A 29 -6.770 7.063 -1.597 1.00 62.22 C ATOM 472 C THR A 29 -6.187 5.666 -1.873 1.00 32.43 C ATOM 473 O THR A 29 -5.112 5.537 -2.464 1.00 1.14 O ATOM 474 CB THR A 29 -6.704 7.945 -2.886 1.00 41.22 C ATOM 475 OG1 THR A 29 -7.098 9.294 -2.581 1.00 50.14 O ATOM 476 CG2 THR A 29 -7.603 7.407 -4.012 1.00 23.12 C ATOM 0 H THR A 29 -5.340 8.371 -0.791 1.00 62.43 H new ATOM 0 HA THR A 29 -7.818 6.973 -1.312 1.00 62.22 H new ATOM 0 HB THR A 29 -5.672 7.917 -3.235 1.00 41.22 H new ATOM 0 HG1 THR A 29 -7.052 9.840 -3.394 1.00 50.14 H new ATOM 0 HG21 THR A 29 -7.521 8.055 -4.884 1.00 23.12 H new ATOM 0 HG22 THR A 29 -7.288 6.398 -4.279 1.00 23.12 H new ATOM 0 HG23 THR A 29 -8.638 7.386 -3.672 1.00 23.12 H new ATOM 484 N VAL A 30 -6.889 4.630 -1.401 1.00 0.22 N ATOM 485 CA VAL A 30 -6.531 3.230 -1.653 1.00 64.31 C ATOM 486 C VAL A 30 -7.549 2.650 -2.640 1.00 11.34 C ATOM 487 O VAL A 30 -8.704 2.389 -2.296 1.00 34.44 O ATOM 488 CB VAL A 30 -6.487 2.373 -0.336 1.00 13.52 C ATOM 489 CG1 VAL A 30 -6.061 0.916 -0.635 1.00 65.23 C ATOM 490 CG2 VAL A 30 -5.547 3.015 0.707 1.00 30.33 C ATOM 0 H VAL A 30 -7.727 4.740 -0.830 1.00 0.22 H new ATOM 0 HA VAL A 30 -5.525 3.195 -2.071 1.00 64.31 H new ATOM 0 HB VAL A 30 -7.493 2.350 0.082 1.00 13.52 H new ATOM 0 HG11 VAL A 30 -6.039 0.346 0.294 1.00 65.23 H new ATOM 0 HG12 VAL A 30 -6.775 0.462 -1.323 1.00 65.23 H new ATOM 0 HG13 VAL A 30 -5.069 0.912 -1.087 1.00 65.23 H new ATOM 0 HG21 VAL A 30 -5.533 2.404 1.609 1.00 30.33 H new ATOM 0 HG22 VAL A 30 -4.539 3.080 0.297 1.00 30.33 H new ATOM 0 HG23 VAL A 30 -5.904 4.015 0.952 1.00 30.33 H new ATOM 500 N THR A 31 -7.097 2.508 -3.867 1.00 52.15 N ATOM 501 CA THR A 31 -7.874 2.001 -4.989 1.00 14.12 C ATOM 502 C THR A 31 -7.281 0.648 -5.416 1.00 34.00 C ATOM 503 O THR A 31 -6.056 0.456 -5.353 1.00 13.31 O ATOM 504 CB THR A 31 -7.796 3.053 -6.147 1.00 22.20 C ATOM 505 OG1 THR A 31 -8.203 4.353 -5.656 1.00 24.32 O ATOM 506 CG2 THR A 31 -8.661 2.681 -7.365 1.00 32.11 C ATOM 0 H THR A 31 -6.141 2.751 -4.126 1.00 52.15 H new ATOM 0 HA THR A 31 -8.920 1.850 -4.723 1.00 14.12 H new ATOM 0 HB THR A 31 -6.759 3.071 -6.481 1.00 22.20 H new ATOM 0 HG1 THR A 31 -8.151 5.008 -6.383 1.00 24.32 H new ATOM 0 HG21 THR A 31 -8.562 3.451 -8.130 1.00 32.11 H new ATOM 0 HG22 THR A 31 -8.330 1.724 -7.768 1.00 32.11 H new ATOM 0 HG23 THR A 31 -9.705 2.605 -7.060 1.00 32.11 H new ATOM 514 N ARG A 32 -8.135 -0.309 -5.792 1.00 4.14 N ATOM 515 CA ARG A 32 -7.682 -1.609 -6.305 1.00 14.50 C ATOM 516 C ARG A 32 -7.675 -1.572 -7.846 1.00 63.55 C ATOM 517 O ARG A 32 -8.578 -1.004 -8.473 1.00 55.44 O ATOM 518 CB ARG A 32 -8.580 -2.761 -5.770 1.00 62.34 C ATOM 519 CG ARG A 32 -10.049 -2.710 -6.241 1.00 0.23 C ATOM 520 CD ARG A 32 -10.896 -3.892 -5.749 1.00 52.15 C ATOM 521 NE ARG A 32 -12.246 -3.843 -6.339 1.00 70.25 N ATOM 522 CZ ARG A 32 -13.126 -4.854 -6.370 1.00 32.24 C ATOM 523 NH1 ARG A 32 -12.841 -6.032 -5.822 1.00 33.04 N ATOM 524 NH2 ARG A 32 -14.286 -4.682 -6.991 1.00 13.42 N ATOM 0 H ARG A 32 -9.149 -0.208 -5.751 1.00 4.14 H new ATOM 0 HA ARG A 32 -6.669 -1.803 -5.952 1.00 14.50 H new ATOM 0 HB2 ARG A 32 -8.147 -3.713 -6.078 1.00 62.34 H new ATOM 0 HB3 ARG A 32 -8.562 -2.741 -4.680 1.00 62.34 H new ATOM 0 HG2 ARG A 32 -10.501 -1.781 -5.893 1.00 0.23 H new ATOM 0 HG3 ARG A 32 -10.071 -2.687 -7.331 1.00 0.23 H new ATOM 0 HD2 ARG A 32 -10.410 -4.831 -6.016 1.00 52.15 H new ATOM 0 HD3 ARG A 32 -10.967 -3.868 -4.662 1.00 52.15 H new ATOM 0 HE ARG A 32 -12.537 -2.961 -6.761 1.00 70.25 H new ATOM 0 HH11 ARG A 32 -11.940 -6.178 -5.368 1.00 33.04 H new ATOM 0 HH12 ARG A 32 -13.524 -6.789 -5.856 1.00 33.04 H new ATOM 0 HH21 ARG A 32 -14.498 -3.789 -7.437 1.00 13.42 H new ATOM 0 HH22 ARG A 32 -14.965 -5.442 -7.023 1.00 13.42 H new ATOM 538 N THR A 33 -6.628 -2.148 -8.438 1.00 60.10 N ATOM 539 CA THR A 33 -6.471 -2.301 -9.892 1.00 72.01 C ATOM 540 C THR A 33 -6.048 -3.761 -10.121 1.00 14.21 C ATOM 541 O THR A 33 -4.997 -4.125 -9.625 1.00 14.44 O ATOM 542 CB THR A 33 -5.375 -1.307 -10.448 1.00 1.12 C ATOM 543 OG1 THR A 33 -4.153 -1.425 -9.687 1.00 65.33 O ATOM 544 CG2 THR A 33 -5.847 0.162 -10.415 1.00 74.43 C ATOM 0 H THR A 33 -5.844 -2.532 -7.910 1.00 60.10 H new ATOM 0 HA THR A 33 -7.397 -2.068 -10.417 1.00 72.01 H new ATOM 0 HB THR A 33 -5.198 -1.586 -11.487 1.00 1.12 H new ATOM 0 HG1 THR A 33 -4.036 -2.354 -9.399 1.00 65.33 H new ATOM 0 HG21 THR A 33 -5.060 0.806 -10.807 1.00 74.43 H new ATOM 0 HG22 THR A 33 -6.742 0.270 -11.027 1.00 74.43 H new ATOM 0 HG23 THR A 33 -6.073 0.449 -9.388 1.00 74.43 H new ATOM 552 N ASN A 34 -6.845 -4.590 -10.837 1.00 24.31 N ATOM 553 CA ASN A 34 -6.721 -6.078 -10.807 1.00 42.54 C ATOM 554 C ASN A 34 -5.266 -6.596 -11.009 1.00 1.42 C ATOM 555 O ASN A 34 -4.699 -6.524 -12.106 1.00 31.52 O ATOM 556 CB ASN A 34 -7.689 -6.727 -11.850 1.00 0.53 C ATOM 557 CG ASN A 34 -7.451 -6.304 -13.316 1.00 74.34 C ATOM 558 OD1 ASN A 34 -7.079 -5.166 -13.607 1.00 73.51 O ATOM 559 ND2 ASN A 34 -7.683 -7.212 -14.253 1.00 65.22 N ATOM 0 H ASN A 34 -7.589 -4.255 -11.449 1.00 24.31 H new ATOM 0 HA ASN A 34 -7.007 -6.385 -9.801 1.00 42.54 H new ATOM 0 HB2 ASN A 34 -7.598 -7.811 -11.782 1.00 0.53 H new ATOM 0 HB3 ASN A 34 -8.714 -6.475 -11.577 1.00 0.53 H new ATOM 0 HD21 ASN A 34 -7.554 -6.974 -15.237 1.00 65.22 H new ATOM 0 HD22 ASN A 34 -7.990 -8.149 -13.991 1.00 65.22 H new ATOM 566 N GLY A 35 -4.670 -7.066 -9.898 1.00 32.43 N ATOM 567 CA GLY A 35 -3.312 -7.612 -9.876 1.00 13.11 C ATOM 568 C GLY A 35 -2.394 -6.804 -8.975 1.00 22.14 C ATOM 569 O GLY A 35 -1.509 -7.364 -8.314 1.00 73.23 O ATOM 0 H GLY A 35 -5.126 -7.075 -8.986 1.00 32.43 H new ATOM 0 HA2 GLY A 35 -3.341 -8.646 -9.532 1.00 13.11 H new ATOM 0 HA3 GLY A 35 -2.909 -7.624 -10.889 1.00 13.11 H new ATOM 573 N ASP A 36 -2.608 -5.480 -8.942 1.00 64.45 N ATOM 574 CA ASP A 36 -1.748 -4.528 -8.207 1.00 33.45 C ATOM 575 C ASP A 36 -2.574 -3.669 -7.217 1.00 54.44 C ATOM 576 O ASP A 36 -3.811 -3.656 -7.254 1.00 14.14 O ATOM 577 CB ASP A 36 -1.019 -3.586 -9.210 1.00 52.02 C ATOM 578 CG ASP A 36 -0.187 -4.316 -10.280 1.00 25.45 C ATOM 579 OD1 ASP A 36 0.507 -5.298 -9.955 1.00 71.14 O ATOM 580 OD2 ASP A 36 -0.208 -3.898 -11.460 1.00 71.42 O ATOM 0 H ASP A 36 -3.386 -5.033 -9.426 1.00 64.45 H new ATOM 0 HA ASP A 36 -1.020 -5.109 -7.641 1.00 33.45 H new ATOM 0 HB2 ASP A 36 -1.761 -2.962 -9.708 1.00 52.02 H new ATOM 0 HB3 ASP A 36 -0.364 -2.918 -8.651 1.00 52.02 H new ATOM 585 N ILE A 37 -1.857 -2.951 -6.336 1.00 2.24 N ATOM 586 CA ILE A 37 -2.440 -1.912 -5.454 1.00 1.31 C ATOM 587 C ILE A 37 -2.200 -0.525 -6.088 1.00 44.55 C ATOM 588 O ILE A 37 -1.223 -0.336 -6.809 1.00 54.11 O ATOM 589 CB ILE A 37 -1.808 -1.968 -4.003 1.00 73.43 C ATOM 590 CG1 ILE A 37 -2.023 -3.374 -3.352 1.00 35.51 C ATOM 591 CG2 ILE A 37 -2.350 -0.847 -3.064 1.00 24.01 C ATOM 592 CD1 ILE A 37 -3.481 -3.774 -3.136 1.00 31.44 C ATOM 0 H ILE A 37 -0.852 -3.072 -6.211 1.00 2.24 H new ATOM 0 HA ILE A 37 -3.510 -2.095 -5.353 1.00 1.31 H new ATOM 0 HB ILE A 37 -0.739 -1.793 -4.126 1.00 73.43 H new ATOM 0 HG12 ILE A 37 -1.546 -4.125 -3.982 1.00 35.51 H new ATOM 0 HG13 ILE A 37 -1.511 -3.393 -2.390 1.00 35.51 H new ATOM 0 HG21 ILE A 37 -1.882 -0.935 -2.084 1.00 24.01 H new ATOM 0 HG22 ILE A 37 -2.118 0.129 -3.491 1.00 24.01 H new ATOM 0 HG23 ILE A 37 -3.430 -0.950 -2.960 1.00 24.01 H new ATOM 0 HD11 ILE A 37 -3.523 -4.763 -2.680 1.00 31.44 H new ATOM 0 HD12 ILE A 37 -3.963 -3.051 -2.478 1.00 31.44 H new ATOM 0 HD13 ILE A 37 -3.999 -3.794 -4.095 1.00 31.44 H new ATOM 604 N LYS A 38 -3.115 0.418 -5.838 1.00 50.22 N ATOM 605 CA LYS A 38 -3.022 1.809 -6.310 1.00 41.11 C ATOM 606 C LYS A 38 -3.227 2.725 -5.092 1.00 13.12 C ATOM 607 O LYS A 38 -4.333 2.812 -4.570 1.00 33.13 O ATOM 608 CB LYS A 38 -4.113 2.031 -7.404 1.00 40.24 C ATOM 609 CG LYS A 38 -4.198 3.443 -8.013 1.00 52.23 C ATOM 610 CD LYS A 38 -2.988 3.800 -8.899 1.00 24.35 C ATOM 611 CE LYS A 38 -3.120 5.206 -9.512 1.00 71.12 C ATOM 612 NZ LYS A 38 -4.274 5.324 -10.448 1.00 25.34 N ATOM 0 H LYS A 38 -3.957 0.235 -5.292 1.00 50.22 H new ATOM 0 HA LYS A 38 -2.053 2.033 -6.756 1.00 41.11 H new ATOM 0 HB2 LYS A 38 -3.935 1.321 -8.212 1.00 40.24 H new ATOM 0 HB3 LYS A 38 -5.084 1.787 -6.972 1.00 40.24 H new ATOM 0 HG2 LYS A 38 -5.109 3.521 -8.606 1.00 52.23 H new ATOM 0 HG3 LYS A 38 -4.278 4.174 -7.208 1.00 52.23 H new ATOM 0 HD2 LYS A 38 -2.075 3.747 -8.305 1.00 24.35 H new ATOM 0 HD3 LYS A 38 -2.893 3.064 -9.697 1.00 24.35 H new ATOM 0 HE2 LYS A 38 -3.232 5.937 -8.711 1.00 71.12 H new ATOM 0 HE3 LYS A 38 -2.201 5.453 -10.043 1.00 71.12 H new ATOM 0 HZ1 LYS A 38 -4.236 6.244 -10.932 1.00 25.34 H new ATOM 0 HZ2 LYS A 38 -4.229 4.560 -11.152 1.00 25.34 H new ATOM 0 HZ3 LYS A 38 -5.163 5.251 -9.914 1.00 25.34 H new ATOM 626 N LEU A 39 -2.161 3.378 -4.615 1.00 65.32 N ATOM 627 CA LEU A 39 -2.194 4.167 -3.362 1.00 24.32 C ATOM 628 C LEU A 39 -1.677 5.581 -3.615 1.00 32.30 C ATOM 629 O LEU A 39 -0.647 5.759 -4.261 1.00 25.14 O ATOM 630 CB LEU A 39 -1.361 3.457 -2.256 1.00 75.31 C ATOM 631 CG LEU A 39 -1.119 4.249 -0.921 1.00 0.10 C ATOM 632 CD1 LEU A 39 -2.441 4.714 -0.261 1.00 33.50 C ATOM 633 CD2 LEU A 39 -0.277 3.406 0.063 1.00 55.02 C ATOM 0 H LEU A 39 -1.252 3.379 -5.078 1.00 65.32 H new ATOM 0 HA LEU A 39 -3.225 4.239 -3.016 1.00 24.32 H new ATOM 0 HB2 LEU A 39 -1.859 2.520 -2.007 1.00 75.31 H new ATOM 0 HB3 LEU A 39 -0.389 3.200 -2.677 1.00 75.31 H new ATOM 0 HG LEU A 39 -0.563 5.151 -1.177 1.00 0.10 H new ATOM 0 HD11 LEU A 39 -2.218 5.256 0.658 1.00 33.50 H new ATOM 0 HD12 LEU A 39 -2.980 5.368 -0.947 1.00 33.50 H new ATOM 0 HD13 LEU A 39 -3.057 3.845 -0.029 1.00 33.50 H new ATOM 0 HD21 LEU A 39 -0.119 3.970 0.982 1.00 55.02 H new ATOM 0 HD22 LEU A 39 -0.804 2.480 0.292 1.00 55.02 H new ATOM 0 HD23 LEU A 39 0.687 3.173 -0.390 1.00 55.02 H new ATOM 645 N ASP A 40 -2.409 6.581 -3.108 1.00 33.14 N ATOM 646 CA ASP A 40 -2.012 7.990 -3.191 1.00 51.23 C ATOM 647 C ASP A 40 -1.604 8.486 -1.799 1.00 10.32 C ATOM 648 O ASP A 40 -2.452 8.615 -0.904 1.00 73.01 O ATOM 649 CB ASP A 40 -3.163 8.857 -3.762 1.00 1.11 C ATOM 650 CG ASP A 40 -2.821 10.361 -3.830 1.00 20.13 C ATOM 651 OD1 ASP A 40 -1.727 10.699 -4.306 1.00 11.51 O ATOM 652 OD2 ASP A 40 -3.645 11.206 -3.399 1.00 55.12 O ATOM 0 H ASP A 40 -3.296 6.434 -2.627 1.00 33.14 H new ATOM 0 HA ASP A 40 -1.163 8.079 -3.869 1.00 51.23 H new ATOM 0 HB2 ASP A 40 -3.413 8.503 -4.762 1.00 1.11 H new ATOM 0 HB3 ASP A 40 -4.051 8.721 -3.145 1.00 1.11 H new ATOM 657 N ALA A 41 -0.296 8.693 -1.611 1.00 70.11 N ATOM 658 CA ALA A 41 0.245 9.359 -0.420 1.00 23.14 C ATOM 659 C ALA A 41 0.238 10.882 -0.627 1.00 62.41 C ATOM 660 O ALA A 41 0.383 11.360 -1.765 1.00 70.33 O ATOM 661 CB ALA A 41 1.662 8.855 -0.133 1.00 61.14 C ATOM 0 H ALA A 41 0.418 8.404 -2.280 1.00 70.11 H new ATOM 0 HA ALA A 41 -0.381 9.123 0.440 1.00 23.14 H new ATOM 0 HB1 ALA A 41 2.054 9.356 0.752 1.00 61.14 H new ATOM 0 HB2 ALA A 41 1.638 7.779 0.039 1.00 61.14 H new ATOM 0 HB3 ALA A 41 2.305 9.071 -0.986 1.00 61.14 H new ATOM 667 N GLN A 42 0.061 11.627 0.478 1.00 64.04 N ATOM 668 CA GLN A 42 0.063 13.104 0.475 1.00 32.15 C ATOM 669 C GLN A 42 1.448 13.618 0.027 1.00 32.10 C ATOM 670 O GLN A 42 1.559 14.410 -0.910 1.00 11.34 O ATOM 671 CB GLN A 42 -0.325 13.624 1.899 1.00 41.44 C ATOM 672 CG GLN A 42 -0.654 15.142 2.027 1.00 5.33 C ATOM 673 CD GLN A 42 0.569 16.073 2.036 1.00 32.21 C ATOM 674 OE1 GLN A 42 1.001 16.577 1.001 1.00 64.31 O ATOM 675 NE2 GLN A 42 1.154 16.277 3.205 1.00 74.21 N ATOM 0 H GLN A 42 -0.088 11.222 1.402 1.00 64.04 H new ATOM 0 HA GLN A 42 -0.674 13.485 -0.232 1.00 32.15 H new ATOM 0 HB2 GLN A 42 -1.191 13.058 2.243 1.00 41.44 H new ATOM 0 HB3 GLN A 42 0.495 13.396 2.579 1.00 41.44 H new ATOM 0 HG2 GLN A 42 -1.304 15.429 1.200 1.00 5.33 H new ATOM 0 HG3 GLN A 42 -1.219 15.300 2.946 1.00 5.33 H new ATOM 0 HE21 GLN A 42 0.774 15.846 4.048 1.00 74.21 H new ATOM 0 HE22 GLN A 42 1.985 16.865 3.264 1.00 74.21 H new ATOM 684 N THR A 43 2.490 13.116 0.696 1.00 22.01 N ATOM 685 CA THR A 43 3.895 13.487 0.435 1.00 73.41 C ATOM 686 C THR A 43 4.770 12.226 0.457 1.00 23.42 C ATOM 687 O THR A 43 4.289 11.155 0.842 1.00 32.03 O ATOM 688 CB THR A 43 4.393 14.550 1.487 1.00 43.12 C ATOM 689 OG1 THR A 43 5.784 14.833 1.295 1.00 55.15 O ATOM 690 CG2 THR A 43 4.158 14.105 2.940 1.00 12.41 C ATOM 0 H THR A 43 2.386 12.431 1.445 1.00 22.01 H new ATOM 0 HA THR A 43 3.970 13.945 -0.551 1.00 73.41 H new ATOM 0 HB THR A 43 3.803 15.451 1.318 1.00 43.12 H new ATOM 0 HG1 THR A 43 5.971 15.756 1.568 1.00 55.15 H new ATOM 0 HG21 THR A 43 4.520 14.876 3.620 1.00 12.41 H new ATOM 0 HG22 THR A 43 3.092 13.948 3.105 1.00 12.41 H new ATOM 0 HG23 THR A 43 4.695 13.175 3.127 1.00 12.41 H new ATOM 698 N GLU A 44 6.046 12.350 0.017 1.00 1.04 N ATOM 699 CA GLU A 44 7.012 11.237 0.052 1.00 33.24 C ATOM 700 C GLU A 44 7.327 10.833 1.494 1.00 43.50 C ATOM 701 O GLU A 44 7.567 9.667 1.746 1.00 30.11 O ATOM 702 CB GLU A 44 8.333 11.556 -0.693 1.00 4.41 C ATOM 703 CG GLU A 44 8.244 11.539 -2.229 1.00 20.33 C ATOM 704 CD GLU A 44 9.636 11.562 -2.878 1.00 44.33 C ATOM 705 OE1 GLU A 44 10.319 10.514 -2.863 1.00 54.52 O ATOM 706 OE2 GLU A 44 10.071 12.625 -3.369 1.00 30.40 O ATOM 0 H GLU A 44 6.426 13.215 -0.367 1.00 1.04 H new ATOM 0 HA GLU A 44 6.533 10.408 -0.469 1.00 33.24 H new ATOM 0 HB2 GLU A 44 8.680 12.540 -0.377 1.00 4.41 H new ATOM 0 HB3 GLU A 44 9.089 10.835 -0.382 1.00 4.41 H new ATOM 0 HG2 GLU A 44 7.706 10.648 -2.553 1.00 20.33 H new ATOM 0 HG3 GLU A 44 7.669 12.400 -2.570 1.00 20.33 H new ATOM 713 N LYS A 45 7.312 11.804 2.429 1.00 30.21 N ATOM 714 CA LYS A 45 7.536 11.521 3.864 1.00 74.25 C ATOM 715 C LYS A 45 6.381 10.680 4.432 1.00 31.45 C ATOM 716 O LYS A 45 6.579 9.862 5.334 1.00 33.44 O ATOM 717 CB LYS A 45 7.722 12.820 4.701 1.00 11.31 C ATOM 718 CG LYS A 45 9.044 13.592 4.428 1.00 44.03 C ATOM 719 CD LYS A 45 9.016 14.457 3.145 1.00 72.54 C ATOM 720 CE LYS A 45 8.118 15.700 3.282 1.00 40.12 C ATOM 721 NZ LYS A 45 8.611 16.646 4.320 1.00 23.42 N ATOM 0 H LYS A 45 7.148 12.789 2.219 1.00 30.21 H new ATOM 0 HA LYS A 45 8.464 10.954 3.938 1.00 74.25 H new ATOM 0 HB2 LYS A 45 6.882 13.486 4.503 1.00 11.31 H new ATOM 0 HB3 LYS A 45 7.681 12.562 5.759 1.00 11.31 H new ATOM 0 HG2 LYS A 45 9.260 14.234 5.282 1.00 44.03 H new ATOM 0 HG3 LYS A 45 9.862 12.875 4.353 1.00 44.03 H new ATOM 0 HD2 LYS A 45 10.031 14.773 2.903 1.00 72.54 H new ATOM 0 HD3 LYS A 45 8.664 13.850 2.311 1.00 72.54 H new ATOM 0 HE2 LYS A 45 8.065 16.214 2.322 1.00 40.12 H new ATOM 0 HE3 LYS A 45 7.104 15.387 3.532 1.00 40.12 H new ATOM 0 HZ1 LYS A 45 8.101 17.549 4.237 1.00 23.42 H new ATOM 0 HZ2 LYS A 45 8.448 16.241 5.264 1.00 23.42 H new ATOM 0 HZ3 LYS A 45 9.629 16.810 4.185 1.00 23.42 H new ATOM 735 N GLU A 46 5.180 10.859 3.850 1.00 13.42 N ATOM 736 CA GLU A 46 3.996 10.077 4.213 1.00 2.14 C ATOM 737 C GLU A 46 4.097 8.699 3.542 1.00 41.44 C ATOM 738 O GLU A 46 3.732 7.679 4.123 1.00 31.00 O ATOM 739 CB GLU A 46 2.702 10.822 3.771 1.00 13.11 C ATOM 740 CG GLU A 46 1.396 10.298 4.401 1.00 64.34 C ATOM 741 CD GLU A 46 1.286 10.594 5.910 1.00 2.21 C ATOM 742 OE1 GLU A 46 1.873 9.845 6.724 1.00 55.44 O ATOM 743 OE2 GLU A 46 0.625 11.589 6.286 1.00 33.51 O ATOM 0 H GLU A 46 5.010 11.549 3.118 1.00 13.42 H new ATOM 0 HA GLU A 46 3.948 9.948 5.294 1.00 2.14 H new ATOM 0 HB2 GLU A 46 2.808 11.878 4.018 1.00 13.11 H new ATOM 0 HB3 GLU A 46 2.616 10.755 2.686 1.00 13.11 H new ATOM 0 HG2 GLU A 46 0.547 10.748 3.887 1.00 64.34 H new ATOM 0 HG3 GLU A 46 1.331 9.221 4.243 1.00 64.34 H new ATOM 750 N ALA A 47 4.659 8.703 2.312 1.00 34.31 N ATOM 751 CA ALA A 47 4.879 7.495 1.512 1.00 15.23 C ATOM 752 C ALA A 47 5.968 6.604 2.115 1.00 35.40 C ATOM 753 O ALA A 47 5.925 5.410 1.903 1.00 1.55 O ATOM 754 CB ALA A 47 5.239 7.865 0.069 1.00 24.04 C ATOM 0 H ALA A 47 4.972 9.557 1.850 1.00 34.31 H new ATOM 0 HA ALA A 47 3.947 6.929 1.514 1.00 15.23 H new ATOM 0 HB1 ALA A 47 5.399 6.956 -0.511 1.00 24.04 H new ATOM 0 HB2 ALA A 47 4.425 8.439 -0.373 1.00 24.04 H new ATOM 0 HB3 ALA A 47 6.150 8.464 0.063 1.00 24.04 H new ATOM 760 N GLU A 48 6.941 7.198 2.854 1.00 44.43 N ATOM 761 CA GLU A 48 8.009 6.425 3.544 1.00 55.20 C ATOM 762 C GLU A 48 7.389 5.463 4.562 1.00 62.44 C ATOM 763 O GLU A 48 7.849 4.340 4.730 1.00 34.24 O ATOM 764 CB GLU A 48 9.013 7.340 4.307 1.00 31.34 C ATOM 765 CG GLU A 48 9.797 8.353 3.453 1.00 32.14 C ATOM 766 CD GLU A 48 10.548 7.735 2.259 1.00 71.33 C ATOM 767 OE1 GLU A 48 11.367 6.815 2.475 1.00 33.21 O ATOM 768 OE2 GLU A 48 10.341 8.187 1.109 1.00 35.12 O ATOM 0 H GLU A 48 7.008 8.207 2.987 1.00 44.43 H new ATOM 0 HA GLU A 48 8.548 5.885 2.765 1.00 55.20 H new ATOM 0 HB2 GLU A 48 8.463 7.890 5.071 1.00 31.34 H new ATOM 0 HB3 GLU A 48 9.729 6.703 4.826 1.00 31.34 H new ATOM 0 HG2 GLU A 48 9.104 9.107 3.079 1.00 32.14 H new ATOM 0 HG3 GLU A 48 10.515 8.868 4.091 1.00 32.14 H new ATOM 775 N LYS A 49 6.341 5.960 5.218 1.00 53.24 N ATOM 776 CA LYS A 49 5.613 5.252 6.265 1.00 72.42 C ATOM 777 C LYS A 49 4.637 4.242 5.633 1.00 25.42 C ATOM 778 O LYS A 49 4.564 3.105 6.058 1.00 61.41 O ATOM 779 CB LYS A 49 4.852 6.300 7.112 1.00 4.25 C ATOM 780 CG LYS A 49 5.757 7.401 7.721 1.00 41.35 C ATOM 781 CD LYS A 49 4.960 8.621 8.238 1.00 11.14 C ATOM 782 CE LYS A 49 3.953 8.279 9.343 1.00 65.31 C ATOM 783 NZ LYS A 49 4.589 7.626 10.516 1.00 72.13 N ATOM 0 H LYS A 49 5.967 6.890 5.030 1.00 53.24 H new ATOM 0 HA LYS A 49 6.300 4.696 6.902 1.00 72.42 H new ATOM 0 HB2 LYS A 49 4.093 6.773 6.489 1.00 4.25 H new ATOM 0 HB3 LYS A 49 4.328 5.788 7.919 1.00 4.25 H new ATOM 0 HG2 LYS A 49 6.334 6.976 8.543 1.00 41.35 H new ATOM 0 HG3 LYS A 49 6.472 7.733 6.968 1.00 41.35 H new ATOM 0 HD2 LYS A 49 5.660 9.367 8.615 1.00 11.14 H new ATOM 0 HD3 LYS A 49 4.428 9.076 7.403 1.00 11.14 H new ATOM 0 HE2 LYS A 49 3.452 9.191 9.667 1.00 65.31 H new ATOM 0 HE3 LYS A 49 3.185 7.620 8.938 1.00 65.31 H new ATOM 0 HZ1 LYS A 49 3.870 7.447 11.246 1.00 72.13 H new ATOM 0 HZ2 LYS A 49 5.016 6.724 10.222 1.00 72.13 H new ATOM 0 HZ3 LYS A 49 5.327 8.249 10.902 1.00 72.13 H new ATOM 797 N MET A 50 3.850 4.730 4.664 1.00 42.14 N ATOM 798 CA MET A 50 2.914 3.898 3.860 1.00 42.34 C ATOM 799 C MET A 50 3.600 2.637 3.270 1.00 65.43 C ATOM 800 O MET A 50 3.149 1.514 3.525 1.00 21.24 O ATOM 801 CB MET A 50 2.222 4.737 2.755 1.00 4.12 C ATOM 802 CG MET A 50 1.223 5.774 3.282 1.00 32.31 C ATOM 803 SD MET A 50 0.330 6.615 1.965 1.00 4.01 S ATOM 804 CE MET A 50 -0.760 7.674 2.912 1.00 71.43 C ATOM 0 H MET A 50 3.837 5.717 4.407 1.00 42.14 H new ATOM 0 HA MET A 50 2.142 3.543 4.543 1.00 42.34 H new ATOM 0 HB2 MET A 50 2.987 5.250 2.172 1.00 4.12 H new ATOM 0 HB3 MET A 50 1.702 4.062 2.075 1.00 4.12 H new ATOM 0 HG2 MET A 50 0.509 5.281 3.942 1.00 32.31 H new ATOM 0 HG3 MET A 50 1.755 6.512 3.883 1.00 32.31 H new ATOM 0 HE1 MET A 50 -1.738 7.711 2.433 1.00 71.43 H new ATOM 0 HE2 MET A 50 -0.865 7.278 3.922 1.00 71.43 H new ATOM 0 HE3 MET A 50 -0.341 8.679 2.959 1.00 71.43 H new ATOM 814 N GLU A 51 4.704 2.822 2.525 1.00 14.13 N ATOM 815 CA GLU A 51 5.480 1.696 1.941 1.00 0.22 C ATOM 816 C GLU A 51 6.114 0.812 3.040 1.00 45.12 C ATOM 817 O GLU A 51 6.318 -0.393 2.850 1.00 12.23 O ATOM 818 CB GLU A 51 6.553 2.251 0.951 1.00 31.12 C ATOM 819 CG GLU A 51 7.749 3.014 1.589 1.00 52.55 C ATOM 820 CD GLU A 51 8.996 2.153 1.857 1.00 53.43 C ATOM 821 OE1 GLU A 51 9.647 1.729 0.882 1.00 11.40 O ATOM 822 OE2 GLU A 51 9.340 1.907 3.036 1.00 65.32 O ATOM 0 H GLU A 51 5.086 3.742 2.308 1.00 14.13 H new ATOM 0 HA GLU A 51 4.798 1.054 1.384 1.00 0.22 H new ATOM 0 HB2 GLU A 51 6.949 1.416 0.372 1.00 31.12 H new ATOM 0 HB3 GLU A 51 6.057 2.920 0.248 1.00 31.12 H new ATOM 0 HG2 GLU A 51 8.028 3.838 0.932 1.00 52.55 H new ATOM 0 HG3 GLU A 51 7.420 3.454 2.530 1.00 52.55 H new ATOM 829 N LYS A 52 6.411 1.423 4.191 1.00 22.52 N ATOM 830 CA LYS A 52 6.979 0.711 5.351 1.00 54.14 C ATOM 831 C LYS A 52 5.906 -0.162 6.029 1.00 55.44 C ATOM 832 O LYS A 52 6.193 -1.249 6.531 1.00 53.43 O ATOM 833 CB LYS A 52 7.571 1.738 6.342 1.00 5.22 C ATOM 834 CG LYS A 52 8.449 1.160 7.470 1.00 73.20 C ATOM 835 CD LYS A 52 9.717 0.436 6.951 1.00 51.51 C ATOM 836 CE LYS A 52 10.651 1.359 6.134 1.00 45.54 C ATOM 837 NZ LYS A 52 11.157 2.511 6.932 1.00 70.23 N ATOM 0 H LYS A 52 6.267 2.420 4.349 1.00 22.52 H new ATOM 0 HA LYS A 52 7.776 0.048 5.014 1.00 54.14 H new ATOM 0 HB2 LYS A 52 8.165 2.457 5.778 1.00 5.22 H new ATOM 0 HB3 LYS A 52 6.749 2.291 6.796 1.00 5.22 H new ATOM 0 HG2 LYS A 52 8.748 1.968 8.138 1.00 73.20 H new ATOM 0 HG3 LYS A 52 7.856 0.461 8.060 1.00 73.20 H new ATOM 0 HD2 LYS A 52 10.269 0.029 7.799 1.00 51.51 H new ATOM 0 HD3 LYS A 52 9.418 -0.409 6.331 1.00 51.51 H new ATOM 0 HE2 LYS A 52 11.496 0.779 5.764 1.00 45.54 H new ATOM 0 HE3 LYS A 52 10.115 1.733 5.262 1.00 45.54 H new ATOM 0 HZ1 LYS A 52 11.791 3.089 6.344 1.00 70.23 H new ATOM 0 HZ2 LYS A 52 10.355 3.092 7.250 1.00 70.23 H new ATOM 0 HZ3 LYS A 52 11.678 2.158 7.760 1.00 70.23 H new ATOM 851 N ALA A 53 4.669 0.345 6.020 1.00 54.45 N ATOM 852 CA ALA A 53 3.488 -0.359 6.530 1.00 24.30 C ATOM 853 C ALA A 53 3.174 -1.592 5.670 1.00 64.22 C ATOM 854 O ALA A 53 2.732 -2.623 6.184 1.00 51.13 O ATOM 855 CB ALA A 53 2.300 0.610 6.588 1.00 64.21 C ATOM 0 H ALA A 53 4.457 1.272 5.652 1.00 54.45 H new ATOM 0 HA ALA A 53 3.689 -0.717 7.540 1.00 24.30 H new ATOM 0 HB1 ALA A 53 1.422 0.087 6.967 1.00 64.21 H new ATOM 0 HB2 ALA A 53 2.541 1.442 7.250 1.00 64.21 H new ATOM 0 HB3 ALA A 53 2.092 0.991 5.588 1.00 64.21 H new ATOM 861 N VAL A 54 3.450 -1.478 4.363 1.00 5.30 N ATOM 862 CA VAL A 54 3.347 -2.600 3.418 1.00 13.23 C ATOM 863 C VAL A 54 4.327 -3.732 3.815 1.00 20.23 C ATOM 864 O VAL A 54 3.947 -4.904 3.842 1.00 42.12 O ATOM 865 CB VAL A 54 3.632 -2.105 1.955 1.00 14.43 C ATOM 866 CG1 VAL A 54 3.667 -3.268 0.944 1.00 13.04 C ATOM 867 CG2 VAL A 54 2.603 -1.029 1.533 1.00 44.11 C ATOM 0 H VAL A 54 3.751 -0.605 3.931 1.00 5.30 H new ATOM 0 HA VAL A 54 2.333 -2.998 3.455 1.00 13.23 H new ATOM 0 HB VAL A 54 4.624 -1.654 1.951 1.00 14.43 H new ATOM 0 HG11 VAL A 54 3.867 -2.877 -0.054 1.00 13.04 H new ATOM 0 HG12 VAL A 54 4.453 -3.969 1.223 1.00 13.04 H new ATOM 0 HG13 VAL A 54 2.705 -3.781 0.946 1.00 13.04 H new ATOM 0 HG21 VAL A 54 2.818 -0.699 0.517 1.00 44.11 H new ATOM 0 HG22 VAL A 54 1.599 -1.450 1.573 1.00 44.11 H new ATOM 0 HG23 VAL A 54 2.667 -0.178 2.212 1.00 44.11 H new ATOM 877 N LYS A 55 5.574 -3.346 4.175 1.00 51.31 N ATOM 878 CA LYS A 55 6.617 -4.292 4.646 1.00 72.20 C ATOM 879 C LYS A 55 6.169 -5.086 5.893 1.00 32.03 C ATOM 880 O LYS A 55 6.560 -6.243 6.057 1.00 5.10 O ATOM 881 CB LYS A 55 7.933 -3.544 4.972 1.00 2.03 C ATOM 882 CG LYS A 55 8.662 -2.941 3.759 1.00 65.20 C ATOM 883 CD LYS A 55 9.895 -2.118 4.197 1.00 42.32 C ATOM 884 CE LYS A 55 10.747 -1.641 3.016 1.00 23.42 C ATOM 885 NZ LYS A 55 9.957 -0.867 2.024 1.00 51.14 N ATOM 0 H LYS A 55 5.886 -2.375 4.148 1.00 51.31 H new ATOM 0 HA LYS A 55 6.783 -4.997 3.831 1.00 72.20 H new ATOM 0 HB2 LYS A 55 7.712 -2.743 5.678 1.00 2.03 H new ATOM 0 HB3 LYS A 55 8.609 -4.235 5.476 1.00 2.03 H new ATOM 0 HG2 LYS A 55 8.975 -3.740 3.086 1.00 65.20 H new ATOM 0 HG3 LYS A 55 7.977 -2.304 3.200 1.00 65.20 H new ATOM 0 HD2 LYS A 55 9.562 -1.253 4.771 1.00 42.32 H new ATOM 0 HD3 LYS A 55 10.512 -2.723 4.862 1.00 42.32 H new ATOM 0 HE2 LYS A 55 11.564 -1.023 3.387 1.00 23.42 H new ATOM 0 HE3 LYS A 55 11.197 -2.503 2.525 1.00 23.42 H new ATOM 0 HZ1 LYS A 55 10.494 -0.025 1.734 1.00 51.14 H new ATOM 0 HZ2 LYS A 55 9.768 -1.461 1.191 1.00 51.14 H new ATOM 0 HZ3 LYS A 55 9.056 -0.573 2.451 1.00 51.14 H new ATOM 899 N LYS A 56 5.341 -4.448 6.753 1.00 50.11 N ATOM 900 CA LYS A 56 4.809 -5.075 7.992 1.00 60.24 C ATOM 901 C LYS A 56 3.982 -6.346 7.665 1.00 4.41 C ATOM 902 O LYS A 56 3.893 -7.273 8.475 1.00 61.34 O ATOM 903 CB LYS A 56 3.945 -4.056 8.791 1.00 63.20 C ATOM 904 CG LYS A 56 4.711 -2.822 9.320 1.00 30.43 C ATOM 905 CD LYS A 56 3.820 -1.794 10.084 1.00 12.55 C ATOM 906 CE LYS A 56 3.252 -2.305 11.436 1.00 52.41 C ATOM 907 NZ LYS A 56 2.202 -3.355 11.282 1.00 54.12 N ATOM 0 H LYS A 56 5.023 -3.489 6.611 1.00 50.11 H new ATOM 0 HA LYS A 56 5.657 -5.373 8.608 1.00 60.24 H new ATOM 0 HB2 LYS A 56 3.131 -3.713 8.152 1.00 63.20 H new ATOM 0 HB3 LYS A 56 3.490 -4.572 9.636 1.00 63.20 H new ATOM 0 HG2 LYS A 56 5.507 -3.160 9.984 1.00 30.43 H new ATOM 0 HG3 LYS A 56 5.189 -2.318 8.480 1.00 30.43 H new ATOM 0 HD2 LYS A 56 4.405 -0.893 10.269 1.00 12.55 H new ATOM 0 HD3 LYS A 56 2.988 -1.507 9.441 1.00 12.55 H new ATOM 0 HE2 LYS A 56 4.069 -2.705 12.036 1.00 52.41 H new ATOM 0 HE3 LYS A 56 2.834 -1.463 11.987 1.00 52.41 H new ATOM 0 HZ1 LYS A 56 1.469 -3.222 12.008 1.00 54.12 H new ATOM 0 HZ2 LYS A 56 1.772 -3.280 10.338 1.00 54.12 H new ATOM 0 HZ3 LYS A 56 2.632 -4.295 11.392 1.00 54.12 H new ATOM 921 N VAL A 57 3.385 -6.355 6.469 1.00 54.31 N ATOM 922 CA VAL A 57 2.585 -7.473 5.941 1.00 75.41 C ATOM 923 C VAL A 57 3.453 -8.449 5.109 1.00 53.43 C ATOM 924 O VAL A 57 3.218 -9.667 5.109 1.00 74.30 O ATOM 925 CB VAL A 57 1.418 -6.895 5.058 1.00 54.32 C ATOM 926 CG1 VAL A 57 0.650 -7.998 4.294 1.00 44.11 C ATOM 927 CG2 VAL A 57 0.458 -6.029 5.915 1.00 51.43 C ATOM 0 H VAL A 57 3.444 -5.568 5.823 1.00 54.31 H new ATOM 0 HA VAL A 57 2.175 -8.036 6.780 1.00 75.41 H new ATOM 0 HB VAL A 57 1.875 -6.257 4.301 1.00 54.32 H new ATOM 0 HG11 VAL A 57 -0.144 -7.544 3.701 1.00 44.11 H new ATOM 0 HG12 VAL A 57 1.337 -8.530 3.635 1.00 44.11 H new ATOM 0 HG13 VAL A 57 0.215 -8.699 5.007 1.00 44.11 H new ATOM 0 HG21 VAL A 57 -0.341 -5.639 5.285 1.00 51.43 H new ATOM 0 HG22 VAL A 57 0.029 -6.639 6.709 1.00 51.43 H new ATOM 0 HG23 VAL A 57 1.011 -5.199 6.354 1.00 51.43 H new ATOM 937 N LYS A 58 4.484 -7.906 4.439 1.00 61.12 N ATOM 938 CA LYS A 58 5.237 -8.631 3.392 1.00 42.43 C ATOM 939 C LYS A 58 6.705 -8.111 3.317 1.00 74.22 C ATOM 940 O LYS A 58 6.938 -7.014 2.817 1.00 52.42 O ATOM 941 CB LYS A 58 4.484 -8.542 2.016 1.00 61.55 C ATOM 942 CG LYS A 58 3.962 -7.132 1.639 1.00 12.44 C ATOM 943 CD LYS A 58 3.025 -7.097 0.408 1.00 61.32 C ATOM 944 CE LYS A 58 3.730 -7.305 -0.945 1.00 72.20 C ATOM 945 NZ LYS A 58 4.207 -8.698 -1.148 1.00 61.12 N ATOM 0 H LYS A 58 4.820 -6.957 4.604 1.00 61.12 H new ATOM 0 HA LYS A 58 5.293 -9.688 3.652 1.00 42.43 H new ATOM 0 HB2 LYS A 58 5.156 -8.885 1.229 1.00 61.55 H new ATOM 0 HB3 LYS A 58 3.640 -9.231 2.037 1.00 61.55 H new ATOM 0 HG2 LYS A 58 3.431 -6.715 2.495 1.00 12.44 H new ATOM 0 HG3 LYS A 58 4.816 -6.483 1.447 1.00 12.44 H new ATOM 0 HD2 LYS A 58 2.263 -7.867 0.527 1.00 61.32 H new ATOM 0 HD3 LYS A 58 2.508 -6.137 0.389 1.00 61.32 H new ATOM 0 HE2 LYS A 58 3.043 -7.042 -1.750 1.00 72.20 H new ATOM 0 HE3 LYS A 58 4.578 -6.624 -1.014 1.00 72.20 H new ATOM 0 HZ1 LYS A 58 3.961 -9.013 -2.108 1.00 61.12 H new ATOM 0 HZ2 LYS A 58 5.239 -8.733 -1.026 1.00 61.12 H new ATOM 0 HZ3 LYS A 58 3.755 -9.325 -0.452 1.00 61.12 H new ATOM 959 N PRO A 59 7.719 -8.891 3.849 1.00 13.51 N ATOM 960 CA PRO A 59 9.156 -8.470 3.888 1.00 50.33 C ATOM 961 C PRO A 59 9.753 -8.160 2.498 1.00 35.34 C ATOM 962 O PRO A 59 10.490 -7.188 2.332 1.00 63.24 O ATOM 963 CB PRO A 59 9.875 -9.686 4.539 1.00 55.12 C ATOM 964 CG PRO A 59 8.802 -10.396 5.305 1.00 23.52 C ATOM 965 CD PRO A 59 7.545 -10.231 4.483 1.00 2.54 C ATOM 0 HA PRO A 59 9.276 -7.536 4.438 1.00 50.33 H new ATOM 0 HB2 PRO A 59 10.318 -10.335 3.784 1.00 55.12 H new ATOM 0 HB3 PRO A 59 10.683 -9.363 5.196 1.00 55.12 H new ATOM 0 HG2 PRO A 59 9.047 -11.449 5.440 1.00 23.52 H new ATOM 0 HG3 PRO A 59 8.680 -9.967 6.300 1.00 23.52 H new ATOM 0 HD2 PRO A 59 7.447 -11.019 3.736 1.00 2.54 H new ATOM 0 HD3 PRO A 59 6.651 -10.268 5.105 1.00 2.54 H new ATOM 973 N ASN A 60 9.389 -8.983 1.495 1.00 73.41 N ATOM 974 CA ASN A 60 9.910 -8.871 0.116 1.00 12.23 C ATOM 975 C ASN A 60 8.949 -8.047 -0.769 1.00 4.24 C ATOM 976 O ASN A 60 8.889 -8.251 -1.988 1.00 44.51 O ATOM 977 CB ASN A 60 10.129 -10.290 -0.474 1.00 13.33 C ATOM 978 CG ASN A 60 11.205 -11.064 0.281 1.00 43.43 C ATOM 979 OD1 ASN A 60 12.380 -11.052 -0.088 1.00 43.00 O ATOM 980 ND2 ASN A 60 10.819 -11.716 1.359 1.00 63.01 N ATOM 0 H ASN A 60 8.724 -9.746 1.618 1.00 73.41 H new ATOM 0 HA ASN A 60 10.866 -8.348 0.139 1.00 12.23 H new ATOM 0 HB2 ASN A 60 9.192 -10.845 -0.440 1.00 13.33 H new ATOM 0 HB3 ASN A 60 10.412 -10.206 -1.523 1.00 13.33 H new ATOM 0 HD21 ASN A 60 11.501 -12.231 1.915 1.00 63.01 H new ATOM 0 HD22 ASN A 60 9.838 -11.706 1.637 1.00 63.01 H new ATOM 987 N ALA A 61 8.200 -7.127 -0.122 1.00 30.24 N ATOM 988 CA ALA A 61 7.293 -6.177 -0.783 1.00 30.11 C ATOM 989 C ALA A 61 7.939 -5.485 -1.995 1.00 51.30 C ATOM 990 O ALA A 61 8.924 -4.759 -1.852 1.00 54.22 O ATOM 991 CB ALA A 61 6.831 -5.124 0.247 1.00 45.54 C ATOM 0 H ALA A 61 8.213 -7.026 0.893 1.00 30.24 H new ATOM 0 HA ALA A 61 6.440 -6.739 -1.163 1.00 30.11 H new ATOM 0 HB1 ALA A 61 6.158 -4.415 -0.235 1.00 45.54 H new ATOM 0 HB2 ALA A 61 6.310 -5.620 1.066 1.00 45.54 H new ATOM 0 HB3 ALA A 61 7.699 -4.592 0.638 1.00 45.54 H new ATOM 997 N THR A 62 7.392 -5.745 -3.191 1.00 53.23 N ATOM 998 CA THR A 62 7.816 -5.064 -4.408 1.00 54.23 C ATOM 999 C THR A 62 6.945 -3.817 -4.540 1.00 72.34 C ATOM 1000 O THR A 62 5.771 -3.896 -4.926 1.00 60.35 O ATOM 1001 CB THR A 62 7.668 -5.978 -5.667 1.00 11.32 C ATOM 1002 OG1 THR A 62 8.265 -7.260 -5.414 1.00 31.20 O ATOM 1003 CG2 THR A 62 8.326 -5.348 -6.911 1.00 51.02 C ATOM 0 H THR A 62 6.649 -6.429 -3.335 1.00 53.23 H new ATOM 0 HA THR A 62 8.873 -4.804 -4.345 1.00 54.23 H new ATOM 0 HB THR A 62 6.602 -6.093 -5.866 1.00 11.32 H new ATOM 0 HG1 THR A 62 8.167 -7.828 -6.206 1.00 31.20 H new ATOM 0 HG21 THR A 62 8.202 -6.014 -7.765 1.00 51.02 H new ATOM 0 HG22 THR A 62 7.854 -4.390 -7.126 1.00 51.02 H new ATOM 0 HG23 THR A 62 9.389 -5.195 -6.722 1.00 51.02 H new ATOM 1011 N ILE A 63 7.507 -2.686 -4.135 1.00 51.32 N ATOM 1012 CA ILE A 63 6.804 -1.414 -4.094 1.00 42.23 C ATOM 1013 C ILE A 63 7.338 -0.531 -5.215 1.00 25.20 C ATOM 1014 O ILE A 63 8.522 -0.163 -5.226 1.00 42.45 O ATOM 1015 CB ILE A 63 7.000 -0.724 -2.693 1.00 70.13 C ATOM 1016 CG1 ILE A 63 6.578 -1.716 -1.554 1.00 50.04 C ATOM 1017 CG2 ILE A 63 6.209 0.613 -2.601 1.00 4.25 C ATOM 1018 CD1 ILE A 63 6.957 -1.282 -0.157 1.00 65.14 C ATOM 0 H ILE A 63 8.476 -2.627 -3.822 1.00 51.32 H new ATOM 0 HA ILE A 63 5.735 -1.574 -4.235 1.00 42.23 H new ATOM 0 HB ILE A 63 8.054 -0.476 -2.571 1.00 70.13 H new ATOM 0 HG12 ILE A 63 5.498 -1.854 -1.595 1.00 50.04 H new ATOM 0 HG13 ILE A 63 7.031 -2.687 -1.752 1.00 50.04 H new ATOM 0 HG21 ILE A 63 6.367 1.062 -1.621 1.00 4.25 H new ATOM 0 HG22 ILE A 63 6.559 1.297 -3.374 1.00 4.25 H new ATOM 0 HG23 ILE A 63 5.146 0.418 -2.744 1.00 4.25 H new ATOM 0 HD11 ILE A 63 6.623 -2.032 0.560 1.00 65.14 H new ATOM 0 HD12 ILE A 63 8.040 -1.173 -0.091 1.00 65.14 H new ATOM 0 HD13 ILE A 63 6.482 -0.327 0.069 1.00 65.14 H new ATOM 1030 N ARG A 64 6.458 -0.219 -6.165 1.00 71.15 N ATOM 1031 CA ARG A 64 6.771 0.696 -7.252 1.00 42.13 C ATOM 1032 C ARG A 64 6.500 2.096 -6.695 1.00 72.44 C ATOM 1033 O ARG A 64 5.344 2.541 -6.650 1.00 61.31 O ATOM 1034 CB ARG A 64 5.876 0.390 -8.484 1.00 63.11 C ATOM 1035 CG ARG A 64 5.793 -1.104 -8.871 1.00 14.43 C ATOM 1036 CD ARG A 64 4.855 -1.336 -10.068 1.00 52.51 C ATOM 1037 NE ARG A 64 4.449 -2.747 -10.210 1.00 71.41 N ATOM 1038 CZ ARG A 64 3.279 -3.159 -10.727 1.00 3.13 C ATOM 1039 NH1 ARG A 64 2.363 -2.288 -11.152 1.00 23.51 N ATOM 1040 NH2 ARG A 64 3.038 -4.449 -10.841 1.00 64.42 N ATOM 0 H ARG A 64 5.510 -0.595 -6.199 1.00 71.15 H new ATOM 0 HA ARG A 64 7.803 0.602 -7.591 1.00 42.13 H new ATOM 0 HB2 ARG A 64 4.869 0.755 -8.283 1.00 63.11 H new ATOM 0 HB3 ARG A 64 6.254 0.951 -9.338 1.00 63.11 H new ATOM 0 HG2 ARG A 64 6.790 -1.472 -9.114 1.00 14.43 H new ATOM 0 HG3 ARG A 64 5.440 -1.681 -8.016 1.00 14.43 H new ATOM 0 HD2 ARG A 64 3.966 -0.717 -9.952 1.00 52.51 H new ATOM 0 HD3 ARG A 64 5.353 -1.012 -10.982 1.00 52.51 H new ATOM 0 HE ARG A 64 5.104 -3.462 -9.893 1.00 71.41 H new ATOM 0 HH11 ARG A 64 2.544 -1.286 -11.088 1.00 23.51 H new ATOM 0 HH12 ARG A 64 1.482 -2.624 -11.541 1.00 23.51 H new ATOM 0 HH21 ARG A 64 3.737 -5.127 -10.538 1.00 64.42 H new ATOM 0 HH22 ARG A 64 2.152 -4.770 -11.232 1.00 64.42 H new ATOM 1054 N LYS A 65 7.564 2.755 -6.228 1.00 2.45 N ATOM 1055 CA LYS A 65 7.442 4.025 -5.516 1.00 12.44 C ATOM 1056 C LYS A 65 7.748 5.151 -6.508 1.00 24.22 C ATOM 1057 O LYS A 65 8.906 5.413 -6.857 1.00 31.41 O ATOM 1058 CB LYS A 65 8.403 4.004 -4.287 1.00 14.21 C ATOM 1059 CG LYS A 65 8.216 5.149 -3.272 1.00 43.23 C ATOM 1060 CD LYS A 65 8.999 4.909 -1.959 1.00 12.15 C ATOM 1061 CE LYS A 65 8.739 6.003 -0.910 1.00 13.41 C ATOM 1062 NZ LYS A 65 9.156 7.358 -1.373 1.00 61.41 N ATOM 0 H LYS A 65 8.524 2.426 -6.332 1.00 2.45 H new ATOM 0 HA LYS A 65 6.437 4.190 -5.128 1.00 12.44 H new ATOM 0 HB2 LYS A 65 8.275 3.056 -3.765 1.00 14.21 H new ATOM 0 HB3 LYS A 65 9.430 4.031 -4.652 1.00 14.21 H new ATOM 0 HG2 LYS A 65 8.545 6.086 -3.721 1.00 43.23 H new ATOM 0 HG3 LYS A 65 7.156 5.259 -3.044 1.00 43.23 H new ATOM 0 HD2 LYS A 65 8.720 3.940 -1.545 1.00 12.15 H new ATOM 0 HD3 LYS A 65 10.066 4.867 -2.178 1.00 12.15 H new ATOM 0 HE2 LYS A 65 7.677 6.019 -0.664 1.00 13.41 H new ATOM 0 HE3 LYS A 65 9.275 5.756 0.006 1.00 13.41 H new ATOM 0 HZ1 LYS A 65 9.632 7.859 -0.596 1.00 61.41 H new ATOM 0 HZ2 LYS A 65 9.810 7.264 -2.176 1.00 61.41 H new ATOM 0 HZ3 LYS A 65 8.317 7.897 -1.670 1.00 61.41 H new ATOM 1076 N THR A 66 6.672 5.778 -6.978 1.00 45.31 N ATOM 1077 CA THR A 66 6.689 6.799 -8.032 1.00 22.21 C ATOM 1078 C THR A 66 5.680 7.912 -7.672 1.00 75.24 C ATOM 1079 O THR A 66 5.141 7.918 -6.563 1.00 53.44 O ATOM 1080 CB THR A 66 6.369 6.120 -9.422 1.00 53.20 C ATOM 1081 OG1 THR A 66 6.288 7.085 -10.482 1.00 61.22 O ATOM 1082 CG2 THR A 66 5.079 5.282 -9.400 1.00 14.41 C ATOM 0 H THR A 66 5.734 5.586 -6.627 1.00 45.31 H new ATOM 0 HA THR A 66 7.674 7.259 -8.113 1.00 22.21 H new ATOM 0 HB THR A 66 7.205 5.447 -9.610 1.00 53.20 H new ATOM 0 HG1 THR A 66 6.091 6.628 -11.326 1.00 61.22 H new ATOM 0 HG21 THR A 66 4.914 4.842 -10.384 1.00 14.41 H new ATOM 0 HG22 THR A 66 5.173 4.489 -8.659 1.00 14.41 H new ATOM 0 HG23 THR A 66 4.234 5.921 -9.142 1.00 14.41 H new ATOM 1090 N GLY A 67 5.467 8.874 -8.580 1.00 24.00 N ATOM 1091 CA GLY A 67 4.485 9.937 -8.368 1.00 73.32 C ATOM 1092 C GLY A 67 4.232 10.737 -9.626 1.00 52.34 C ATOM 1093 O GLY A 67 3.829 11.904 -9.558 1.00 24.33 O ATOM 0 H GLY A 67 5.964 8.935 -9.469 1.00 24.00 H new ATOM 0 HA2 GLY A 67 3.548 9.501 -8.022 1.00 73.32 H new ATOM 0 HA3 GLY A 67 4.837 10.603 -7.580 1.00 73.32 H new ATOM 1097 N GLY A 68 4.476 10.098 -10.788 1.00 12.23 N ATOM 1098 CA GLY A 68 4.193 10.695 -12.090 1.00 24.14 C ATOM 1099 C GLY A 68 2.755 10.458 -12.505 1.00 15.40 C ATOM 1100 O GLY A 68 2.487 9.851 -13.547 1.00 61.51 O ATOM 0 H GLY A 68 4.872 9.160 -10.841 1.00 12.23 H new ATOM 0 HA2 GLY A 68 4.391 11.766 -12.052 1.00 24.14 H new ATOM 0 HA3 GLY A 68 4.864 10.274 -12.839 1.00 24.14 H new ATOM 1104 N SER A 69 1.830 10.936 -11.664 1.00 14.11 N ATOM 1105 CA SER A 69 0.393 10.796 -11.872 1.00 30.31 C ATOM 1106 C SER A 69 -0.103 11.969 -12.735 1.00 24.22 C ATOM 1107 O SER A 69 -0.577 12.993 -12.222 1.00 13.23 O ATOM 1108 CB SER A 69 -0.308 10.744 -10.492 1.00 33.20 C ATOM 1109 OG SER A 69 0.267 9.741 -9.660 1.00 41.02 O ATOM 0 H SER A 69 2.068 11.438 -10.808 1.00 14.11 H new ATOM 0 HA SER A 69 0.158 9.873 -12.401 1.00 30.31 H new ATOM 0 HB2 SER A 69 -0.228 11.715 -10.004 1.00 33.20 H new ATOM 0 HB3 SER A 69 -1.370 10.542 -10.628 1.00 33.20 H new ATOM 0 HG SER A 69 0.317 8.896 -10.154 1.00 41.02 H new ATOM 1115 N LEU A 70 0.086 11.840 -14.054 1.00 65.14 N ATOM 1116 CA LEU A 70 -0.254 12.888 -15.026 1.00 35.14 C ATOM 1117 C LEU A 70 -1.021 12.260 -16.195 1.00 31.14 C ATOM 1118 O LEU A 70 -0.741 11.120 -16.586 1.00 52.23 O ATOM 1119 CB LEU A 70 1.027 13.611 -15.528 1.00 23.02 C ATOM 1120 CG LEU A 70 0.791 14.887 -16.393 1.00 31.44 C ATOM 1121 CD1 LEU A 70 0.075 15.991 -15.578 1.00 2.35 C ATOM 1122 CD2 LEU A 70 2.111 15.406 -17.002 1.00 64.01 C ATOM 0 H LEU A 70 0.481 11.002 -14.480 1.00 65.14 H new ATOM 0 HA LEU A 70 -0.885 13.635 -14.544 1.00 35.14 H new ATOM 0 HB2 LEU A 70 1.628 13.888 -14.662 1.00 23.02 H new ATOM 0 HB3 LEU A 70 1.616 12.903 -16.111 1.00 23.02 H new ATOM 0 HG LEU A 70 0.137 14.609 -17.219 1.00 31.44 H new ATOM 0 HD11 LEU A 70 -0.076 16.868 -16.207 1.00 2.35 H new ATOM 0 HD12 LEU A 70 -0.891 15.621 -15.234 1.00 2.35 H new ATOM 0 HD13 LEU A 70 0.687 16.263 -14.718 1.00 2.35 H new ATOM 0 HD21 LEU A 70 1.911 16.296 -17.599 1.00 64.01 H new ATOM 0 HD22 LEU A 70 2.808 15.655 -16.202 1.00 64.01 H new ATOM 0 HD23 LEU A 70 2.547 14.634 -17.636 1.00 64.01 H new ATOM 1134 N GLU A 71 -1.994 13.006 -16.726 1.00 32.20 N ATOM 1135 CA GLU A 71 -2.823 12.584 -17.863 1.00 10.42 C ATOM 1136 C GLU A 71 -2.041 12.630 -19.189 1.00 3.03 C ATOM 1137 O GLU A 71 -0.959 13.227 -19.267 1.00 5.45 O ATOM 1138 CB GLU A 71 -4.068 13.496 -17.965 1.00 60.14 C ATOM 1139 CG GLU A 71 -3.744 14.992 -18.209 1.00 24.11 C ATOM 1140 CD GLU A 71 -4.987 15.830 -18.521 1.00 60.13 C ATOM 1141 OE1 GLU A 71 -5.504 15.728 -19.655 1.00 31.54 O ATOM 1142 OE2 GLU A 71 -5.457 16.583 -17.639 1.00 64.34 O ATOM 0 H GLU A 71 -2.233 13.933 -16.375 1.00 32.20 H new ATOM 0 HA GLU A 71 -3.127 11.552 -17.689 1.00 10.42 H new ATOM 0 HB2 GLU A 71 -4.702 13.137 -18.776 1.00 60.14 H new ATOM 0 HB3 GLU A 71 -4.646 13.407 -17.045 1.00 60.14 H new ATOM 0 HG2 GLU A 71 -3.250 15.400 -17.327 1.00 24.11 H new ATOM 0 HG3 GLU A 71 -3.039 15.075 -19.036 1.00 24.11 H new ATOM 1149 N HIS A 72 -2.606 11.990 -20.227 1.00 32.25 N ATOM 1150 CA HIS A 72 -2.093 12.082 -21.606 1.00 22.34 C ATOM 1151 C HIS A 72 -3.254 12.078 -22.624 1.00 21.32 C ATOM 1152 O HIS A 72 -3.009 12.094 -23.836 1.00 40.41 O ATOM 1153 CB HIS A 72 -1.055 10.948 -21.901 1.00 43.51 C ATOM 1154 CG HIS A 72 -1.627 9.582 -22.219 1.00 25.44 C ATOM 1155 ND1 HIS A 72 -1.211 8.834 -23.302 1.00 1.33 N ATOM 1156 CD2 HIS A 72 -2.563 8.828 -21.595 1.00 43.11 C ATOM 1157 CE1 HIS A 72 -1.862 7.690 -23.324 1.00 4.32 C ATOM 1158 NE2 HIS A 72 -2.686 7.662 -22.300 1.00 20.11 N ATOM 0 H HIS A 72 -3.430 11.395 -20.135 1.00 32.25 H new ATOM 0 HA HIS A 72 -1.568 13.031 -21.711 1.00 22.34 H new ATOM 0 HB2 HIS A 72 -0.434 11.262 -22.739 1.00 43.51 H new ATOM 0 HB3 HIS A 72 -0.399 10.851 -21.036 1.00 43.51 H new ATOM 0 HD2 HIS A 72 -3.111 9.098 -20.705 1.00 43.11 H new ATOM 0 HE1 HIS A 72 -1.740 6.908 -24.058 1.00 4.32 H new ATOM 0 HE2 HIS A 72 -3.316 6.894 -22.068 1.00 20.11 H new ATOM 1167 N HIS A 73 -4.526 12.049 -22.134 1.00 31.43 N ATOM 1168 CA HIS A 73 -5.702 12.159 -23.015 1.00 40.25 C ATOM 1169 C HIS A 73 -5.916 13.623 -23.459 1.00 61.43 C ATOM 1170 O HIS A 73 -6.581 14.424 -22.787 1.00 23.20 O ATOM 1171 CB HIS A 73 -6.992 11.517 -22.398 1.00 5.11 C ATOM 1172 CG HIS A 73 -7.517 12.044 -21.068 1.00 44.14 C ATOM 1173 ND1 HIS A 73 -7.042 13.171 -20.412 1.00 53.31 N ATOM 1174 CD2 HIS A 73 -8.517 11.565 -20.272 1.00 33.44 C ATOM 1175 CE1 HIS A 73 -7.723 13.346 -19.296 1.00 62.44 C ATOM 1176 NE2 HIS A 73 -8.613 12.393 -19.188 1.00 34.22 N ATOM 0 H HIS A 73 -4.751 11.951 -21.144 1.00 31.43 H new ATOM 0 HA HIS A 73 -5.495 11.571 -23.909 1.00 40.25 H new ATOM 0 HB2 HIS A 73 -7.792 11.618 -23.131 1.00 5.11 H new ATOM 0 HB3 HIS A 73 -6.803 10.450 -22.278 1.00 5.11 H new ATOM 0 HD1 HIS A 73 -6.285 13.770 -20.741 1.00 53.31 H new ATOM 0 HD2 HIS A 73 -9.122 10.691 -20.463 1.00 33.44 H new ATOM 0 HE1 HIS A 73 -7.571 14.146 -18.587 1.00 62.44 H new ATOM 1185 N HIS A 74 -5.286 13.976 -24.594 1.00 73.41 N ATOM 1186 CA HIS A 74 -5.394 15.312 -25.198 1.00 41.31 C ATOM 1187 C HIS A 74 -6.702 15.442 -26.002 1.00 24.10 C ATOM 1188 O HIS A 74 -6.734 15.245 -27.224 1.00 11.35 O ATOM 1189 CB HIS A 74 -4.148 15.641 -26.071 1.00 1.40 C ATOM 1190 CG HIS A 74 -2.882 15.859 -25.281 1.00 21.34 C ATOM 1191 ND1 HIS A 74 -2.406 17.110 -24.956 1.00 70.02 N ATOM 1192 CD2 HIS A 74 -2.008 14.979 -24.727 1.00 64.22 C ATOM 1193 CE1 HIS A 74 -1.306 16.995 -24.242 1.00 12.34 C ATOM 1194 NE2 HIS A 74 -1.043 15.717 -24.088 1.00 32.41 N ATOM 0 H HIS A 74 -4.686 13.339 -25.118 1.00 73.41 H new ATOM 0 HA HIS A 74 -5.424 16.046 -24.393 1.00 41.31 H new ATOM 0 HB2 HIS A 74 -3.987 14.826 -26.777 1.00 1.40 H new ATOM 0 HB3 HIS A 74 -4.355 16.535 -26.658 1.00 1.40 H new ATOM 0 HD2 HIS A 74 -2.062 13.902 -24.779 1.00 64.22 H new ATOM 0 HE1 HIS A 74 -0.719 17.812 -23.849 1.00 12.34 H new ATOM 0 HE2 HIS A 74 -0.249 15.334 -23.575 1.00 32.41 H new ATOM 1203 N HIS A 75 -7.785 15.728 -25.271 1.00 42.22 N ATOM 1204 CA HIS A 75 -9.087 16.101 -25.835 1.00 20.10 C ATOM 1205 C HIS A 75 -9.682 17.182 -24.922 1.00 1.31 C ATOM 1206 O HIS A 75 -10.421 16.891 -23.978 1.00 20.24 O ATOM 1207 CB HIS A 75 -10.021 14.861 -25.973 1.00 61.11 C ATOM 1208 CG HIS A 75 -11.386 15.160 -26.563 1.00 41.02 C ATOM 1209 ND1 HIS A 75 -11.623 15.247 -27.919 1.00 43.41 N ATOM 1210 CD2 HIS A 75 -12.579 15.427 -25.968 1.00 35.40 C ATOM 1211 CE1 HIS A 75 -12.889 15.561 -28.128 1.00 50.32 C ATOM 1212 NE2 HIS A 75 -13.488 15.677 -26.965 1.00 21.42 N ATOM 0 H HIS A 75 -7.781 15.706 -24.251 1.00 42.22 H new ATOM 0 HA HIS A 75 -8.974 16.493 -26.846 1.00 20.10 H new ATOM 0 HB2 HIS A 75 -9.525 14.117 -26.597 1.00 61.11 H new ATOM 0 HB3 HIS A 75 -10.156 14.413 -24.989 1.00 61.11 H new ATOM 0 HD2 HIS A 75 -12.775 15.440 -24.906 1.00 35.40 H new ATOM 0 HE1 HIS A 75 -13.353 15.699 -29.093 1.00 50.32 H new ATOM 0 HE2 HIS A 75 -14.470 15.915 -26.825 1.00 21.42 H new ATOM 1221 N HIS A 76 -9.265 18.432 -25.165 1.00 63.52 N ATOM 1222 CA HIS A 76 -9.649 19.610 -24.356 1.00 72.04 C ATOM 1223 C HIS A 76 -10.266 20.682 -25.273 1.00 74.04 C ATOM 1224 O HIS A 76 -10.520 20.412 -26.456 1.00 45.53 O ATOM 1225 CB HIS A 76 -8.400 20.169 -23.615 1.00 20.50 C ATOM 1226 CG HIS A 76 -7.665 19.154 -22.768 1.00 13.11 C ATOM 1227 ND1 HIS A 76 -6.361 18.767 -23.016 1.00 24.50 N ATOM 1228 CD2 HIS A 76 -8.061 18.440 -21.684 1.00 72.14 C ATOM 1229 CE1 HIS A 76 -5.992 17.865 -22.126 1.00 21.44 C ATOM 1230 NE2 HIS A 76 -7.002 17.652 -21.311 1.00 34.13 N ATOM 0 H HIS A 76 -8.642 18.663 -25.939 1.00 63.52 H new ATOM 0 HA HIS A 76 -10.389 19.320 -23.610 1.00 72.04 H new ATOM 0 HB2 HIS A 76 -7.708 20.577 -24.352 1.00 20.50 H new ATOM 0 HB3 HIS A 76 -8.712 20.997 -22.978 1.00 20.50 H new ATOM 0 HD2 HIS A 76 -9.028 18.484 -21.205 1.00 72.14 H new ATOM 0 HE1 HIS A 76 -5.026 17.384 -22.076 1.00 21.44 H new ATOM 0 HE2 HIS A 76 -6.998 17.002 -20.525 1.00 34.13 H new ATOM 1239 N HIS A 77 -10.521 21.890 -24.723 1.00 14.33 N ATOM 1240 CA HIS A 77 -11.078 23.031 -25.480 1.00 50.43 C ATOM 1241 C HIS A 77 -10.731 24.365 -24.757 1.00 12.20 C ATOM 1242 O HIS A 77 -11.335 24.672 -23.711 1.00 44.23 O ATOM 1243 CB HIS A 77 -12.618 22.868 -25.736 1.00 74.22 C ATOM 1244 CG HIS A 77 -13.467 22.567 -24.522 1.00 23.20 C ATOM 1245 ND1 HIS A 77 -14.243 23.512 -23.890 1.00 33.32 N ATOM 1246 CD2 HIS A 77 -13.688 21.408 -23.854 1.00 61.40 C ATOM 1247 CE1 HIS A 77 -14.898 22.953 -22.894 1.00 15.01 C ATOM 1248 NE2 HIS A 77 -14.583 21.678 -22.851 1.00 62.42 N ATOM 1249 OXT HIS A 77 -9.826 25.088 -25.225 1.00 38.96 O ATOM 0 H HIS A 77 -10.346 22.101 -23.740 1.00 14.33 H new ATOM 0 HA HIS A 77 -10.615 23.054 -26.467 1.00 50.43 H new ATOM 0 HB2 HIS A 77 -12.988 23.785 -26.194 1.00 74.22 H new ATOM 0 HB3 HIS A 77 -12.762 22.068 -26.462 1.00 74.22 H new ATOM 0 HD2 HIS A 77 -13.241 20.449 -24.072 1.00 61.40 H new ATOM 0 HE1 HIS A 77 -15.579 23.457 -22.225 1.00 15.01 H new ATOM 0 HE2 HIS A 77 -14.945 21.000 -22.181 1.00 62.42 H new TER 1258 HIS A 77