USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 914 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 81 GLN : amide:sc= 0.0851 K(o=1.4,f=0.6) USER MOD Set 1.2: A 85 ASN : amide:sc= 1.34 K(o=1.4,f=0.6) USER MOD Set 2.1: A 39 TYR OH : rot 180:sc= 0.0767 USER MOD Set 2.2: A 105 SER OG : rot -141:sc= 0.281 USER MOD Set 3.1: A 38 SER OG : rot 101:sc= 0.618 USER MOD Set 3.2: A 111 HIS : no HD1:sc= -1.54 X(o=-0.93,f=-1.3) USER MOD Set 4.1: A 7 HIS : no HD1:sc= 0.757 K(o=1.9,f=-6.5!) USER MOD Set 4.2: A 9 SER OG : rot 10:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0156 (180deg=-0.27) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -116:sc= -0.0578 (180deg=-1.2!) USER MOD Single : A 19 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1) USER MOD Single : A 20 ASN : amide:sc= -2.89! X(o=-2.9!,f=-3.2) USER MOD Single : A 27 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.9) USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.0198 (180deg=-0.258) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 0:sc= -0.421 USER MOD Single : A 37 THR OG1 : rot 150:sc= 0.773 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0633 F(o=-0.87,f=-0.063) USER MOD Single : A 50 GLN :FLIP amide:sc=-0.00138 F(o=-0.97,f=-0.0014) USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 1.11 (180deg=1.03) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00695) USER MOD Single : A 59 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-1.1) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.855 F(o=-1.4,f=-0.85) USER MOD Single : A 72 GLN : amide:sc= -1.64! X(o=-1.6!,f=-1.7) USER MOD Single : A 74 THR OG1 : rot 74:sc= 1.19 USER MOD Single : A 78 ASN : amide:sc= -0.436 K(o=-0.44,f=-0.98) USER MOD Single : A 84 LYS NZ :NH3+ -111:sc= 1.6 (180deg=0.522) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.598 F(o=-1.7,f=-0.6) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -164:sc= -0.0101 (180deg=-0.198) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0515 USER MOD Single : A 92 MET CE :methyl -110:sc= -0.267 (180deg=-2.52!) USER MOD Single : A 96 GLN :FLIP amide:sc= -0.741 F(o=-1.6,f=-0.74) USER MOD Single : A 98 LYS NZ :NH3+ -129:sc= 0.522 (180deg=-0.435) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 K(o=0,f=-2.6) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 116 HIS : no HD1:sc= -0.415 X(o=-0.42,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.855 -35.364 -14.252 1.00 5.33 N ATOM 2 CA MET A 1 2.126 -34.667 -13.911 1.00 44.11 C ATOM 3 C MET A 1 2.196 -34.347 -12.411 1.00 33.24 C ATOM 4 O MET A 1 1.220 -33.880 -11.824 1.00 44.04 O ATOM 5 CB MET A 1 2.251 -33.368 -14.722 1.00 32.43 C ATOM 6 CG MET A 1 2.178 -33.572 -16.230 1.00 31.43 C ATOM 7 SD MET A 1 2.336 -32.025 -17.147 1.00 1.24 S ATOM 8 CE MET A 1 2.110 -32.603 -18.830 1.00 2.33 C ATOM 0 H1 MET A 1 0.924 -35.762 -15.210 1.00 5.33 H new ATOM 0 H2 MET A 1 0.686 -36.131 -13.570 1.00 5.33 H new ATOM 0 H3 MET A 1 0.067 -34.687 -14.214 1.00 5.33 H new ATOM 0 HA MET A 1 2.952 -35.333 -14.161 1.00 44.11 H new ATOM 0 HB2 MET A 1 1.458 -32.684 -14.419 1.00 32.43 H new ATOM 0 HB3 MET A 1 3.198 -32.887 -14.476 1.00 32.43 H new ATOM 0 HG2 MET A 1 2.968 -34.256 -16.539 1.00 31.43 H new ATOM 0 HG3 MET A 1 1.229 -34.045 -16.484 1.00 31.43 H new ATOM 0 HE1 MET A 1 2.181 -31.760 -19.517 1.00 2.33 H new ATOM 0 HE2 MET A 1 2.883 -33.333 -19.071 1.00 2.33 H new ATOM 0 HE3 MET A 1 1.129 -33.068 -18.926 1.00 2.33 H new ATOM 20 N ALA A 2 3.348 -34.603 -11.791 1.00 43.41 N ATOM 21 CA ALA A 2 3.543 -34.286 -10.371 1.00 11.21 C ATOM 22 C ALA A 2 3.607 -32.765 -10.140 1.00 41.01 C ATOM 23 O ALA A 2 4.684 -32.167 -10.150 1.00 63.12 O ATOM 24 CB ALA A 2 4.802 -34.967 -9.845 1.00 30.32 C ATOM 0 H ALA A 2 4.158 -35.027 -12.244 1.00 43.41 H new ATOM 0 HA ALA A 2 2.684 -34.667 -9.818 1.00 11.21 H new ATOM 0 HB1 ALA A 2 4.934 -34.723 -8.791 1.00 30.32 H new ATOM 0 HB2 ALA A 2 4.706 -36.047 -9.958 1.00 30.32 H new ATOM 0 HB3 ALA A 2 5.667 -34.618 -10.409 1.00 30.32 H new ATOM 30 N ALA A 3 2.444 -32.143 -9.964 1.00 63.35 N ATOM 31 CA ALA A 3 2.355 -30.689 -9.769 1.00 4.22 C ATOM 32 C ALA A 3 2.378 -30.301 -8.281 1.00 31.14 C ATOM 33 O ALA A 3 1.680 -30.899 -7.461 1.00 30.00 O ATOM 34 CB ALA A 3 1.093 -30.151 -10.431 1.00 12.44 C ATOM 0 H ALA A 3 1.543 -32.621 -9.952 1.00 63.35 H new ATOM 0 HA ALA A 3 3.233 -30.242 -10.236 1.00 4.22 H new ATOM 0 HB1 ALA A 3 1.035 -29.073 -10.282 1.00 12.44 H new ATOM 0 HB2 ALA A 3 1.121 -30.368 -11.499 1.00 12.44 H new ATOM 0 HB3 ALA A 3 0.218 -30.626 -9.987 1.00 12.44 H new ATOM 40 N SER A 4 3.174 -29.288 -7.944 1.00 21.30 N ATOM 41 CA SER A 4 3.281 -28.801 -6.559 1.00 64.01 C ATOM 42 C SER A 4 2.507 -27.489 -6.370 1.00 53.14 C ATOM 43 O SER A 4 2.250 -26.764 -7.329 1.00 44.43 O ATOM 44 CB SER A 4 4.752 -28.584 -6.178 1.00 4.34 C ATOM 45 OG SER A 4 5.360 -27.599 -7.002 1.00 35.22 O ATOM 0 H SER A 4 3.759 -28.783 -8.610 1.00 21.30 H new ATOM 0 HA SER A 4 2.846 -29.560 -5.909 1.00 64.01 H new ATOM 0 HB2 SER A 4 4.818 -28.278 -5.134 1.00 4.34 H new ATOM 0 HB3 SER A 4 5.296 -29.524 -6.270 1.00 4.34 H new ATOM 0 HG SER A 4 6.296 -27.481 -6.735 1.00 35.22 H new ATOM 51 N THR A 5 2.135 -27.189 -5.127 1.00 14.45 N ATOM 52 CA THR A 5 1.403 -25.953 -4.813 1.00 52.23 C ATOM 53 C THR A 5 2.358 -24.771 -4.597 1.00 61.25 C ATOM 54 O THR A 5 3.233 -24.813 -3.730 1.00 51.43 O ATOM 55 CB THR A 5 0.513 -26.121 -3.553 1.00 23.43 C ATOM 56 OG1 THR A 5 -0.469 -27.146 -3.778 1.00 51.43 O ATOM 57 CG2 THR A 5 -0.191 -24.816 -3.186 1.00 62.25 C ATOM 0 H THR A 5 2.326 -27.781 -4.319 1.00 14.45 H new ATOM 0 HA THR A 5 0.767 -25.745 -5.673 1.00 52.23 H new ATOM 0 HB THR A 5 1.162 -26.405 -2.725 1.00 23.43 H new ATOM 0 HG1 THR A 5 -1.026 -27.247 -2.978 1.00 51.43 H new ATOM 0 HG21 THR A 5 -0.805 -24.971 -2.299 1.00 62.25 H new ATOM 0 HG22 THR A 5 0.553 -24.046 -2.982 1.00 62.25 H new ATOM 0 HG23 THR A 5 -0.824 -24.498 -4.015 1.00 62.25 H new ATOM 65 N VAL A 6 2.183 -23.717 -5.391 1.00 3.34 N ATOM 66 CA VAL A 6 2.988 -22.497 -5.260 1.00 64.04 C ATOM 67 C VAL A 6 2.198 -21.394 -4.530 1.00 63.32 C ATOM 68 O VAL A 6 0.984 -21.268 -4.705 1.00 74.15 O ATOM 69 CB VAL A 6 3.444 -21.974 -6.653 1.00 41.20 C ATOM 70 CG1 VAL A 6 2.243 -21.645 -7.537 1.00 11.43 C ATOM 71 CG2 VAL A 6 4.365 -20.760 -6.513 1.00 33.25 C ATOM 0 H VAL A 6 1.488 -23.680 -6.137 1.00 3.34 H new ATOM 0 HA VAL A 6 3.871 -22.751 -4.673 1.00 64.04 H new ATOM 0 HB VAL A 6 4.010 -22.771 -7.136 1.00 41.20 H new ATOM 0 HG11 VAL A 6 2.591 -21.282 -8.504 1.00 11.43 H new ATOM 0 HG12 VAL A 6 1.641 -22.542 -7.682 1.00 11.43 H new ATOM 0 HG13 VAL A 6 1.638 -20.876 -7.057 1.00 11.43 H new ATOM 0 HG21 VAL A 6 4.667 -20.417 -7.502 1.00 33.25 H new ATOM 0 HG22 VAL A 6 3.835 -19.959 -5.997 1.00 33.25 H new ATOM 0 HG23 VAL A 6 5.249 -21.038 -5.940 1.00 33.25 H new ATOM 81 N HIS A 7 2.880 -20.604 -3.701 1.00 24.51 N ATOM 82 CA HIS A 7 2.229 -19.496 -2.994 1.00 60.24 C ATOM 83 C HIS A 7 2.473 -18.160 -3.711 1.00 51.31 C ATOM 84 O HIS A 7 3.534 -17.551 -3.568 1.00 40.44 O ATOM 85 CB HIS A 7 2.727 -19.409 -1.544 1.00 61.23 C ATOM 86 CG HIS A 7 2.133 -18.258 -0.780 1.00 52.21 C ATOM 87 ND1 HIS A 7 2.759 -17.036 -0.644 1.00 3.44 N ATOM 88 CD2 HIS A 7 0.952 -18.141 -0.124 1.00 73.13 C ATOM 89 CE1 HIS A 7 1.996 -16.224 0.057 1.00 63.43 C ATOM 90 NE2 HIS A 7 0.895 -16.867 0.384 1.00 44.22 N ATOM 0 H HIS A 7 3.875 -20.707 -3.502 1.00 24.51 H new ATOM 0 HA HIS A 7 1.157 -19.694 -2.989 1.00 60.24 H new ATOM 0 HB2 HIS A 7 2.489 -20.340 -1.029 1.00 61.23 H new ATOM 0 HB3 HIS A 7 3.813 -19.314 -1.545 1.00 61.23 H new ATOM 0 HD2 HIS A 7 0.197 -18.907 -0.021 1.00 73.13 H new ATOM 0 HE1 HIS A 7 2.233 -15.204 0.319 1.00 63.43 H new ATOM 0 HE2 HIS A 7 0.123 -16.481 0.928 1.00 44.22 H new ATOM 99 N THR A 8 1.491 -17.720 -4.495 1.00 53.30 N ATOM 100 CA THR A 8 1.555 -16.412 -5.159 1.00 22.55 C ATOM 101 C THR A 8 1.519 -15.278 -4.125 1.00 72.50 C ATOM 102 O THR A 8 0.451 -14.799 -3.744 1.00 0.54 O ATOM 103 CB THR A 8 0.394 -16.229 -6.172 1.00 53.11 C ATOM 104 OG1 THR A 8 0.411 -17.293 -7.136 1.00 31.42 O ATOM 105 CG2 THR A 8 0.488 -14.889 -6.898 1.00 72.32 C ATOM 0 H THR A 8 0.640 -18.247 -4.688 1.00 53.30 H new ATOM 0 HA THR A 8 2.497 -16.373 -5.706 1.00 22.55 H new ATOM 0 HB THR A 8 -0.540 -16.250 -5.610 1.00 53.11 H new ATOM 0 HG1 THR A 8 -0.326 -17.171 -7.771 1.00 31.42 H new ATOM 0 HG21 THR A 8 -0.341 -14.796 -7.599 1.00 72.32 H new ATOM 0 HG22 THR A 8 0.442 -14.078 -6.172 1.00 72.32 H new ATOM 0 HG23 THR A 8 1.431 -14.835 -7.442 1.00 72.32 H new ATOM 113 N SER A 9 2.697 -14.887 -3.639 1.00 40.45 N ATOM 114 CA SER A 9 2.807 -13.812 -2.640 1.00 55.32 C ATOM 115 C SER A 9 2.494 -12.445 -3.257 1.00 31.00 C ATOM 116 O SER A 9 2.485 -12.290 -4.478 1.00 50.42 O ATOM 117 CB SER A 9 4.210 -13.797 -2.020 1.00 41.43 C ATOM 118 OG SER A 9 4.490 -15.019 -1.352 1.00 61.12 O ATOM 0 H SER A 9 3.590 -15.295 -3.917 1.00 40.45 H new ATOM 0 HA SER A 9 2.074 -14.010 -1.858 1.00 55.32 H new ATOM 0 HB2 SER A 9 4.953 -13.627 -2.799 1.00 41.43 H new ATOM 0 HB3 SER A 9 4.291 -12.968 -1.317 1.00 41.43 H new ATOM 0 HG SER A 9 3.788 -15.672 -1.557 1.00 61.12 H new ATOM 124 N PHE A 10 2.248 -11.448 -2.411 1.00 35.15 N ATOM 125 CA PHE A 10 1.834 -10.122 -2.883 1.00 70.01 C ATOM 126 C PHE A 10 2.788 -9.019 -2.397 1.00 53.34 C ATOM 127 O PHE A 10 3.206 -9.008 -1.240 1.00 0.10 O ATOM 128 CB PHE A 10 0.401 -9.837 -2.417 1.00 73.04 C ATOM 129 CG PHE A 10 -0.593 -10.875 -2.880 1.00 44.12 C ATOM 130 CD1 PHE A 10 -1.062 -10.873 -4.185 1.00 50.00 C ATOM 131 CD2 PHE A 10 -1.050 -11.860 -2.013 1.00 31.12 C ATOM 132 CE1 PHE A 10 -1.962 -11.827 -4.617 1.00 3.01 C ATOM 133 CE2 PHE A 10 -1.951 -12.816 -2.440 1.00 63.21 C ATOM 134 CZ PHE A 10 -2.407 -12.802 -3.744 1.00 3.25 C ATOM 0 H PHE A 10 2.327 -11.529 -1.397 1.00 35.15 H new ATOM 0 HA PHE A 10 1.871 -10.122 -3.972 1.00 70.01 H new ATOM 0 HB2 PHE A 10 0.383 -9.787 -1.328 1.00 73.04 H new ATOM 0 HB3 PHE A 10 0.094 -8.859 -2.786 1.00 73.04 H new ATOM 0 HD1 PHE A 10 -0.719 -10.115 -4.873 1.00 50.00 H new ATOM 0 HD2 PHE A 10 -0.696 -11.878 -0.993 1.00 31.12 H new ATOM 0 HE1 PHE A 10 -2.318 -11.811 -5.636 1.00 3.01 H new ATOM 0 HE2 PHE A 10 -2.299 -13.574 -1.754 1.00 63.21 H new ATOM 0 HZ PHE A 10 -3.109 -13.551 -4.080 1.00 3.25 H new ATOM 144 N ILE A 11 3.133 -8.096 -3.295 1.00 53.43 N ATOM 145 CA ILE A 11 4.063 -7.001 -2.978 1.00 45.21 C ATOM 146 C ILE A 11 3.363 -5.633 -3.048 1.00 50.10 C ATOM 147 O ILE A 11 2.681 -5.326 -4.024 1.00 75.21 O ATOM 148 CB ILE A 11 5.275 -6.999 -3.948 1.00 21.22 C ATOM 149 CG1 ILE A 11 5.938 -8.388 -3.980 1.00 13.14 C ATOM 150 CG2 ILE A 11 6.288 -5.925 -3.545 1.00 31.51 C ATOM 151 CD1 ILE A 11 7.180 -8.458 -4.849 1.00 15.41 C ATOM 0 H ILE A 11 2.783 -8.081 -4.253 1.00 53.43 H new ATOM 0 HA ILE A 11 4.415 -7.169 -1.960 1.00 45.21 H new ATOM 0 HB ILE A 11 4.915 -6.766 -4.950 1.00 21.22 H new ATOM 0 HG12 ILE A 11 6.202 -8.677 -2.963 1.00 13.14 H new ATOM 0 HG13 ILE A 11 5.213 -9.117 -4.341 1.00 13.14 H new ATOM 0 HG21 ILE A 11 7.130 -5.940 -4.238 1.00 31.51 H new ATOM 0 HG22 ILE A 11 5.811 -4.945 -3.575 1.00 31.51 H new ATOM 0 HG23 ILE A 11 6.646 -6.123 -2.535 1.00 31.51 H new ATOM 0 HD11 ILE A 11 7.588 -9.468 -4.819 1.00 15.41 H new ATOM 0 HD12 ILE A 11 6.920 -8.202 -5.876 1.00 15.41 H new ATOM 0 HD13 ILE A 11 7.925 -7.755 -4.477 1.00 15.41 H new ATOM 163 N LEU A 12 3.537 -4.812 -2.012 1.00 4.53 N ATOM 164 CA LEU A 12 2.911 -3.483 -1.960 1.00 62.35 C ATOM 165 C LEU A 12 3.790 -2.410 -2.631 1.00 1.44 C ATOM 166 O LEU A 12 4.992 -2.328 -2.377 1.00 45.42 O ATOM 167 CB LEU A 12 2.641 -3.084 -0.499 1.00 35.44 C ATOM 168 CG LEU A 12 1.976 -1.708 -0.295 1.00 65.42 C ATOM 169 CD1 LEU A 12 0.558 -1.696 -0.857 1.00 33.11 C ATOM 170 CD2 LEU A 12 1.980 -1.321 1.183 1.00 53.31 C ATOM 0 H LEU A 12 4.105 -5.040 -1.196 1.00 4.53 H new ATOM 0 HA LEU A 12 1.971 -3.542 -2.508 1.00 62.35 H new ATOM 0 HB2 LEU A 12 2.006 -3.845 -0.045 1.00 35.44 H new ATOM 0 HB3 LEU A 12 3.587 -3.094 0.042 1.00 35.44 H new ATOM 0 HG LEU A 12 2.558 -0.967 -0.843 1.00 65.42 H new ATOM 0 HD11 LEU A 12 0.113 -0.714 -0.700 1.00 33.11 H new ATOM 0 HD12 LEU A 12 0.588 -1.914 -1.925 1.00 33.11 H new ATOM 0 HD13 LEU A 12 -0.041 -2.452 -0.349 1.00 33.11 H new ATOM 0 HD21 LEU A 12 1.506 -0.347 1.305 1.00 53.31 H new ATOM 0 HD22 LEU A 12 1.429 -2.067 1.756 1.00 53.31 H new ATOM 0 HD23 LEU A 12 3.007 -1.273 1.544 1.00 53.31 H new ATOM 182 N LYS A 13 3.183 -1.595 -3.493 1.00 73.42 N ATOM 183 CA LYS A 13 3.860 -0.427 -4.076 1.00 43.12 C ATOM 184 C LYS A 13 3.227 0.877 -3.572 1.00 74.11 C ATOM 185 O LYS A 13 2.022 0.934 -3.322 1.00 64.53 O ATOM 186 CB LYS A 13 3.799 -0.447 -5.611 1.00 13.31 C ATOM 187 CG LYS A 13 4.464 -1.656 -6.257 1.00 22.43 C ATOM 188 CD LYS A 13 4.608 -1.477 -7.769 1.00 61.15 C ATOM 189 CE LYS A 13 3.263 -1.215 -8.446 1.00 73.31 C ATOM 190 NZ LYS A 13 2.307 -2.329 -8.233 1.00 74.20 N ATOM 0 H LYS A 13 2.220 -1.719 -3.807 1.00 73.42 H new ATOM 0 HA LYS A 13 4.903 -0.475 -3.763 1.00 43.12 H new ATOM 0 HB2 LYS A 13 2.754 -0.415 -5.920 1.00 13.31 H new ATOM 0 HB3 LYS A 13 4.272 0.458 -5.992 1.00 13.31 H new ATOM 0 HG2 LYS A 13 5.447 -1.812 -5.813 1.00 22.43 H new ATOM 0 HG3 LYS A 13 3.875 -2.550 -6.050 1.00 22.43 H new ATOM 0 HD2 LYS A 13 5.284 -0.647 -7.973 1.00 61.15 H new ATOM 0 HD3 LYS A 13 5.062 -2.370 -8.198 1.00 61.15 H new ATOM 0 HE2 LYS A 13 2.835 -0.291 -8.057 1.00 73.31 H new ATOM 0 HE3 LYS A 13 3.418 -1.069 -9.515 1.00 73.31 H new ATOM 0 HZ1 LYS A 13 2.080 -2.771 -9.147 1.00 74.20 H new ATOM 0 HZ2 LYS A 13 2.734 -3.037 -7.602 1.00 74.20 H new ATOM 0 HZ3 LYS A 13 1.436 -1.961 -7.801 1.00 74.20 H new ATOM 204 N VAL A 14 4.039 1.924 -3.443 1.00 72.20 N ATOM 205 CA VAL A 14 3.563 3.229 -2.969 1.00 64.24 C ATOM 206 C VAL A 14 4.068 4.378 -3.858 1.00 22.42 C ATOM 207 O VAL A 14 5.266 4.659 -3.912 1.00 32.33 O ATOM 208 CB VAL A 14 4.003 3.492 -1.503 1.00 1.24 C ATOM 209 CG1 VAL A 14 3.628 4.907 -1.062 1.00 61.15 C ATOM 210 CG2 VAL A 14 3.396 2.457 -0.558 1.00 71.25 C ATOM 0 H VAL A 14 5.035 1.897 -3.660 1.00 72.20 H new ATOM 0 HA VAL A 14 2.475 3.197 -3.019 1.00 64.24 H new ATOM 0 HB VAL A 14 5.088 3.400 -1.460 1.00 1.24 H new ATOM 0 HG11 VAL A 14 3.948 5.064 -0.032 1.00 61.15 H new ATOM 0 HG12 VAL A 14 4.121 5.632 -1.709 1.00 61.15 H new ATOM 0 HG13 VAL A 14 2.548 5.035 -1.130 1.00 61.15 H new ATOM 0 HG21 VAL A 14 3.719 2.663 0.463 1.00 71.25 H new ATOM 0 HG22 VAL A 14 2.309 2.509 -0.612 1.00 71.25 H new ATOM 0 HG23 VAL A 14 3.727 1.460 -0.849 1.00 71.25 H new ATOM 220 N LEU A 15 3.146 5.039 -4.557 1.00 23.14 N ATOM 221 CA LEU A 15 3.478 6.213 -5.369 1.00 22.54 C ATOM 222 C LEU A 15 3.402 7.475 -4.492 1.00 34.11 C ATOM 223 O LEU A 15 2.315 7.893 -4.084 1.00 3.53 O ATOM 224 CB LEU A 15 2.511 6.316 -6.568 1.00 53.24 C ATOM 225 CG LEU A 15 2.997 7.147 -7.774 1.00 63.12 C ATOM 226 CD1 LEU A 15 2.018 7.019 -8.940 1.00 13.31 C ATOM 227 CD2 LEU A 15 3.189 8.616 -7.405 1.00 32.30 C ATOM 0 H LEU A 15 2.159 4.782 -4.578 1.00 23.14 H new ATOM 0 HA LEU A 15 4.491 6.117 -5.759 1.00 22.54 H new ATOM 0 HB2 LEU A 15 2.290 5.307 -6.916 1.00 53.24 H new ATOM 0 HB3 LEU A 15 1.573 6.744 -6.214 1.00 53.24 H new ATOM 0 HG LEU A 15 3.966 6.750 -8.078 1.00 63.12 H new ATOM 0 HD11 LEU A 15 2.376 7.611 -9.782 1.00 13.31 H new ATOM 0 HD12 LEU A 15 1.942 5.973 -9.238 1.00 13.31 H new ATOM 0 HD13 LEU A 15 1.037 7.381 -8.633 1.00 13.31 H new ATOM 0 HD21 LEU A 15 3.532 9.169 -8.280 1.00 32.30 H new ATOM 0 HD22 LEU A 15 2.242 9.032 -7.061 1.00 32.30 H new ATOM 0 HD23 LEU A 15 3.931 8.698 -6.611 1.00 32.30 H new ATOM 239 N TRP A 16 4.552 8.073 -4.199 1.00 14.23 N ATOM 240 CA TRP A 16 4.615 9.213 -3.273 1.00 51.02 C ATOM 241 C TRP A 16 4.444 10.556 -4.009 1.00 60.24 C ATOM 242 O TRP A 16 5.225 10.894 -4.903 1.00 23.24 O ATOM 243 CB TRP A 16 5.949 9.195 -2.511 1.00 0.52 C ATOM 244 CG TRP A 16 5.941 10.039 -1.267 1.00 24.33 C ATOM 245 CD1 TRP A 16 6.235 11.369 -1.165 1.00 3.04 C ATOM 246 CD2 TRP A 16 5.622 9.598 0.058 1.00 44.22 C ATOM 247 NE1 TRP A 16 6.115 11.780 0.140 1.00 41.44 N ATOM 248 CE2 TRP A 16 5.741 10.711 0.910 1.00 24.13 C ATOM 249 CE3 TRP A 16 5.246 8.369 0.603 1.00 71.24 C ATOM 250 CZ2 TRP A 16 5.495 10.631 2.277 1.00 11.31 C ATOM 251 CZ3 TRP A 16 5.003 8.288 1.962 1.00 60.13 C ATOM 252 CH2 TRP A 16 5.130 9.414 2.786 1.00 53.43 C ATOM 0 H TRP A 16 5.454 7.793 -4.585 1.00 14.23 H new ATOM 0 HA TRP A 16 3.790 9.116 -2.567 1.00 51.02 H new ATOM 0 HB2 TRP A 16 6.190 8.167 -2.241 1.00 0.52 H new ATOM 0 HB3 TRP A 16 6.741 9.545 -3.173 1.00 0.52 H new ATOM 0 HD1 TRP A 16 6.520 12.005 -1.990 1.00 3.04 H new ATOM 0 HE1 TRP A 16 6.278 12.728 0.480 1.00 41.44 H new ATOM 0 HE3 TRP A 16 5.147 7.497 -0.026 1.00 71.24 H new ATOM 0 HZ2 TRP A 16 5.589 11.498 2.914 1.00 11.31 H new ATOM 0 HZ3 TRP A 16 4.711 7.343 2.395 1.00 60.13 H new ATOM 0 HH2 TRP A 16 4.936 9.320 3.844 1.00 53.43 H new ATOM 263 N LEU A 17 3.417 11.317 -3.627 1.00 62.14 N ATOM 264 CA LEU A 17 3.168 12.643 -4.213 1.00 54.33 C ATOM 265 C LEU A 17 3.540 13.765 -3.232 1.00 1.21 C ATOM 266 O LEU A 17 4.004 13.510 -2.119 1.00 43.30 O ATOM 267 CB LEU A 17 1.695 12.770 -4.628 1.00 61.01 C ATOM 268 CG LEU A 17 1.246 11.817 -5.747 1.00 2.21 C ATOM 269 CD1 LEU A 17 -0.247 11.967 -6.024 1.00 31.44 C ATOM 270 CD2 LEU A 17 2.059 12.065 -7.017 1.00 33.42 C ATOM 0 H LEU A 17 2.742 11.041 -2.914 1.00 62.14 H new ATOM 0 HA LEU A 17 3.799 12.745 -5.096 1.00 54.33 H new ATOM 0 HB2 LEU A 17 1.071 12.595 -3.752 1.00 61.01 H new ATOM 0 HB3 LEU A 17 1.512 13.795 -4.950 1.00 61.01 H new ATOM 0 HG LEU A 17 1.425 10.794 -5.417 1.00 2.21 H new ATOM 0 HD11 LEU A 17 -0.540 11.282 -6.820 1.00 31.44 H new ATOM 0 HD12 LEU A 17 -0.810 11.735 -5.120 1.00 31.44 H new ATOM 0 HD13 LEU A 17 -0.459 12.991 -6.331 1.00 31.44 H new ATOM 0 HD21 LEU A 17 1.729 11.382 -7.800 1.00 33.42 H new ATOM 0 HD22 LEU A 17 1.913 13.093 -7.347 1.00 33.42 H new ATOM 0 HD23 LEU A 17 3.116 11.897 -6.811 1.00 33.42 H new ATOM 282 N ASP A 18 3.325 15.011 -3.650 1.00 4.41 N ATOM 283 CA ASP A 18 3.675 16.180 -2.833 1.00 64.22 C ATOM 284 C ASP A 18 2.786 16.283 -1.578 1.00 32.43 C ATOM 285 O ASP A 18 3.286 16.323 -0.450 1.00 73.41 O ATOM 286 CB ASP A 18 3.558 17.447 -3.681 1.00 23.14 C ATOM 287 CG ASP A 18 4.316 17.309 -4.987 1.00 11.43 C ATOM 288 OD1 ASP A 18 3.748 16.755 -5.949 1.00 75.50 O ATOM 289 OD2 ASP A 18 5.490 17.729 -5.058 1.00 0.51 O ATOM 0 H ASP A 18 2.909 15.241 -4.552 1.00 4.41 H new ATOM 0 HA ASP A 18 4.703 16.065 -2.491 1.00 64.22 H new ATOM 0 HB2 ASP A 18 2.508 17.653 -3.888 1.00 23.14 H new ATOM 0 HB3 ASP A 18 3.946 18.298 -3.122 1.00 23.14 H new ATOM 294 N GLN A 19 1.468 16.318 -1.778 1.00 63.15 N ATOM 295 CA GLN A 19 0.515 16.350 -0.657 1.00 22.22 C ATOM 296 C GLN A 19 -0.408 15.119 -0.659 1.00 33.42 C ATOM 297 O GLN A 19 -1.408 15.087 0.060 1.00 33.03 O ATOM 298 CB GLN A 19 -0.333 17.634 -0.697 1.00 21.35 C ATOM 299 CG GLN A 19 -1.201 17.769 -1.946 1.00 73.25 C ATOM 300 CD GLN A 19 -2.218 18.895 -1.843 1.00 71.03 C ATOM 301 OE1 GLN A 19 -2.695 19.219 -0.760 1.00 74.33 O ATOM 302 NE2 GLN A 19 -2.562 19.497 -2.964 1.00 13.34 N ATOM 0 H GLN A 19 1.033 16.325 -2.700 1.00 63.15 H new ATOM 0 HA GLN A 19 1.101 16.336 0.262 1.00 22.22 H new ATOM 0 HB2 GLN A 19 -0.975 17.660 0.183 1.00 21.35 H new ATOM 0 HB3 GLN A 19 0.330 18.497 -0.633 1.00 21.35 H new ATOM 0 HG2 GLN A 19 -0.560 17.943 -2.810 1.00 73.25 H new ATOM 0 HG3 GLN A 19 -1.724 16.829 -2.122 1.00 73.25 H new ATOM 0 HE21 GLN A 19 -2.147 19.204 -3.848 1.00 13.34 H new ATOM 0 HE22 GLN A 19 -3.243 20.256 -2.947 1.00 13.34 H new ATOM 311 N ASN A 20 -0.058 14.102 -1.455 1.00 40.30 N ATOM 312 CA ASN A 20 -0.869 12.875 -1.572 1.00 54.22 C ATOM 313 C ASN A 20 0.016 11.614 -1.601 1.00 43.54 C ATOM 314 O ASN A 20 1.245 11.703 -1.646 1.00 35.31 O ATOM 315 CB ASN A 20 -1.731 12.916 -2.843 1.00 24.12 C ATOM 316 CG ASN A 20 -2.683 14.096 -2.881 1.00 42.23 C ATOM 317 OD1 ASN A 20 -3.810 14.020 -2.408 1.00 61.03 O ATOM 318 ND2 ASN A 20 -2.241 15.200 -3.450 1.00 1.11 N ATOM 0 H ASN A 20 0.784 14.101 -2.031 1.00 40.30 H new ATOM 0 HA ASN A 20 -1.513 12.829 -0.694 1.00 54.22 H new ATOM 0 HB2 ASN A 20 -1.079 12.955 -3.715 1.00 24.12 H new ATOM 0 HB3 ASN A 20 -2.305 11.992 -2.915 1.00 24.12 H new ATOM 0 HD21 ASN A 20 -2.843 16.022 -3.505 1.00 1.11 H new ATOM 0 HD22 ASN A 20 -1.297 15.233 -3.835 1.00 1.11 H new ATOM 325 N VAL A 21 -0.621 10.443 -1.591 1.00 14.21 N ATOM 326 CA VAL A 21 0.092 9.159 -1.645 1.00 3.55 C ATOM 327 C VAL A 21 -0.817 8.043 -2.200 1.00 11.23 C ATOM 328 O VAL A 21 -1.988 7.947 -1.841 1.00 51.23 O ATOM 329 CB VAL A 21 0.622 8.761 -0.240 1.00 30.04 C ATOM 330 CG1 VAL A 21 -0.502 8.771 0.784 1.00 32.42 C ATOM 331 CG2 VAL A 21 1.301 7.396 -0.263 1.00 41.43 C ATOM 0 H VAL A 21 -1.636 10.353 -1.546 1.00 14.21 H new ATOM 0 HA VAL A 21 0.941 9.282 -2.318 1.00 3.55 H new ATOM 0 HB VAL A 21 1.367 9.503 0.049 1.00 30.04 H new ATOM 0 HG11 VAL A 21 -0.107 8.489 1.760 1.00 32.42 H new ATOM 0 HG12 VAL A 21 -0.933 9.771 0.842 1.00 32.42 H new ATOM 0 HG13 VAL A 21 -1.273 8.060 0.485 1.00 32.42 H new ATOM 0 HG21 VAL A 21 1.659 7.151 0.737 1.00 41.43 H new ATOM 0 HG22 VAL A 21 0.587 6.640 -0.588 1.00 41.43 H new ATOM 0 HG23 VAL A 21 2.143 7.420 -0.954 1.00 41.43 H new ATOM 341 N ALA A 22 -0.276 7.207 -3.085 1.00 65.10 N ATOM 342 CA ALA A 22 -1.054 6.129 -3.714 1.00 33.44 C ATOM 343 C ALA A 22 -0.448 4.743 -3.441 1.00 50.44 C ATOM 344 O ALA A 22 0.768 4.598 -3.328 1.00 21.44 O ATOM 345 CB ALA A 22 -1.156 6.373 -5.215 1.00 63.41 C ATOM 0 H ALA A 22 0.698 7.252 -3.386 1.00 65.10 H new ATOM 0 HA ALA A 22 -2.050 6.139 -3.272 1.00 33.44 H new ATOM 0 HB1 ALA A 22 -1.733 5.571 -5.676 1.00 63.41 H new ATOM 0 HB2 ALA A 22 -1.651 7.327 -5.396 1.00 63.41 H new ATOM 0 HB3 ALA A 22 -0.156 6.395 -5.649 1.00 63.41 H new ATOM 351 N ILE A 23 -1.305 3.725 -3.344 1.00 4.42 N ATOM 352 CA ILE A 23 -0.855 2.346 -3.080 1.00 33.10 C ATOM 353 C ILE A 23 -1.361 1.361 -4.156 1.00 73.23 C ATOM 354 O ILE A 23 -2.464 1.515 -4.682 1.00 25.15 O ATOM 355 CB ILE A 23 -1.311 1.862 -1.676 1.00 54.25 C ATOM 356 CG1 ILE A 23 -2.838 2.003 -1.517 1.00 33.41 C ATOM 357 CG2 ILE A 23 -0.577 2.632 -0.572 1.00 63.14 C ATOM 358 CD1 ILE A 23 -3.360 1.542 -0.170 1.00 1.32 C ATOM 0 H ILE A 23 -2.315 3.824 -3.443 1.00 4.42 H new ATOM 0 HA ILE A 23 0.234 2.363 -3.113 1.00 33.10 H new ATOM 0 HB ILE A 23 -1.057 0.806 -1.582 1.00 54.25 H new ATOM 0 HG12 ILE A 23 -3.114 3.047 -1.665 1.00 33.41 H new ATOM 0 HG13 ILE A 23 -3.330 1.429 -2.302 1.00 33.41 H new ATOM 0 HG21 ILE A 23 -0.911 2.277 0.403 1.00 63.14 H new ATOM 0 HG22 ILE A 23 0.497 2.471 -0.668 1.00 63.14 H new ATOM 0 HG23 ILE A 23 -0.794 3.696 -0.665 1.00 63.14 H new ATOM 0 HD11 ILE A 23 -4.442 1.672 -0.135 1.00 1.32 H new ATOM 0 HD12 ILE A 23 -3.117 0.489 -0.026 1.00 1.32 H new ATOM 0 HD13 ILE A 23 -2.898 2.132 0.621 1.00 1.32 H new ATOM 370 N ALA A 24 -0.538 0.352 -4.483 1.00 61.11 N ATOM 371 CA ALA A 24 -0.881 -0.650 -5.514 1.00 25.32 C ATOM 372 C ALA A 24 -0.104 -1.966 -5.316 1.00 12.32 C ATOM 373 O ALA A 24 1.122 -1.963 -5.240 1.00 4.34 O ATOM 374 CB ALA A 24 -0.598 -0.090 -6.903 1.00 31.42 C ATOM 0 H ALA A 24 0.373 0.205 -4.049 1.00 61.11 H new ATOM 0 HA ALA A 24 -1.944 -0.871 -5.416 1.00 25.32 H new ATOM 0 HB1 ALA A 24 -0.854 -0.836 -7.655 1.00 31.42 H new ATOM 0 HB2 ALA A 24 -1.197 0.807 -7.063 1.00 31.42 H new ATOM 0 HB3 ALA A 24 0.460 0.160 -6.986 1.00 31.42 H new ATOM 380 N VAL A 25 -0.815 -3.093 -5.275 1.00 23.05 N ATOM 381 CA VAL A 25 -0.197 -4.399 -4.990 1.00 64.03 C ATOM 382 C VAL A 25 0.021 -5.243 -6.265 1.00 44.32 C ATOM 383 O VAL A 25 -0.774 -5.188 -7.206 1.00 63.54 O ATOM 384 CB VAL A 25 -1.062 -5.204 -3.981 1.00 21.34 C ATOM 385 CG1 VAL A 25 -0.473 -6.588 -3.722 1.00 30.42 C ATOM 386 CG2 VAL A 25 -1.214 -4.435 -2.668 1.00 70.13 C ATOM 0 H VAL A 25 -1.822 -3.133 -5.435 1.00 23.05 H new ATOM 0 HA VAL A 25 0.781 -4.191 -4.557 1.00 64.03 H new ATOM 0 HB VAL A 25 -2.049 -5.338 -4.424 1.00 21.34 H new ATOM 0 HG11 VAL A 25 -1.103 -7.124 -3.012 1.00 30.42 H new ATOM 0 HG12 VAL A 25 -0.426 -7.145 -4.658 1.00 30.42 H new ATOM 0 HG13 VAL A 25 0.531 -6.485 -3.311 1.00 30.42 H new ATOM 0 HG21 VAL A 25 -1.823 -5.015 -1.975 1.00 70.13 H new ATOM 0 HG22 VAL A 25 -0.230 -4.263 -2.231 1.00 70.13 H new ATOM 0 HG23 VAL A 25 -1.697 -3.477 -2.861 1.00 70.13 H new ATOM 396 N ASP A 26 1.117 -6.011 -6.288 1.00 23.23 N ATOM 397 CA ASP A 26 1.395 -6.959 -7.375 1.00 70.02 C ATOM 398 C ASP A 26 1.346 -8.407 -6.873 1.00 42.01 C ATOM 399 O ASP A 26 1.600 -8.679 -5.697 1.00 73.22 O ATOM 400 CB ASP A 26 2.779 -6.706 -7.980 1.00 3.44 C ATOM 401 CG ASP A 26 2.975 -5.272 -8.414 1.00 71.34 C ATOM 402 OD1 ASP A 26 2.294 -4.827 -9.359 1.00 64.25 O ATOM 403 OD2 ASP A 26 3.808 -4.571 -7.809 1.00 31.15 O ATOM 0 H ASP A 26 1.831 -5.994 -5.560 1.00 23.23 H new ATOM 0 HA ASP A 26 0.626 -6.808 -8.133 1.00 70.02 H new ATOM 0 HB2 ASP A 26 3.544 -6.967 -7.248 1.00 3.44 H new ATOM 0 HB3 ASP A 26 2.921 -7.363 -8.838 1.00 3.44 H new ATOM 408 N GLN A 27 1.032 -9.332 -7.775 1.00 45.12 N ATOM 409 CA GLN A 27 1.069 -10.766 -7.467 1.00 71.40 C ATOM 410 C GLN A 27 2.357 -11.406 -8.024 1.00 43.34 C ATOM 411 O GLN A 27 2.714 -11.198 -9.186 1.00 50.10 O ATOM 412 CB GLN A 27 -0.172 -11.471 -8.045 1.00 44.33 C ATOM 413 CG GLN A 27 -0.324 -11.333 -9.556 1.00 33.11 C ATOM 414 CD GLN A 27 -1.487 -12.141 -10.112 1.00 4.34 C ATOM 415 OE1 GLN A 27 -2.607 -11.659 -10.218 1.00 1.54 O ATOM 416 NE2 GLN A 27 -1.230 -13.384 -10.467 1.00 14.44 N ATOM 0 H GLN A 27 0.747 -9.117 -8.731 1.00 45.12 H new ATOM 0 HA GLN A 27 1.064 -10.886 -6.384 1.00 71.40 H new ATOM 0 HB2 GLN A 27 -0.125 -12.530 -7.791 1.00 44.33 H new ATOM 0 HB3 GLN A 27 -1.062 -11.067 -7.563 1.00 44.33 H new ATOM 0 HG2 GLN A 27 -0.466 -10.282 -9.807 1.00 33.11 H new ATOM 0 HG3 GLN A 27 0.599 -11.654 -10.039 1.00 33.11 H new ATOM 0 HE21 GLN A 27 -0.286 -13.758 -10.367 1.00 14.44 H new ATOM 0 HE22 GLN A 27 -1.975 -13.972 -10.842 1.00 14.44 H new ATOM 425 N ILE A 28 3.060 -12.171 -7.191 1.00 4.34 N ATOM 426 CA ILE A 28 4.290 -12.851 -7.617 1.00 1.30 C ATOM 427 C ILE A 28 3.968 -14.121 -8.421 1.00 52.20 C ATOM 428 O ILE A 28 3.513 -15.128 -7.875 1.00 71.53 O ATOM 429 CB ILE A 28 5.207 -13.203 -6.412 1.00 54.21 C ATOM 430 CG1 ILE A 28 5.646 -11.913 -5.692 1.00 51.13 C ATOM 431 CG2 ILE A 28 6.426 -14.008 -6.877 1.00 63.00 C ATOM 432 CD1 ILE A 28 6.617 -12.137 -4.548 1.00 20.00 C ATOM 0 H ILE A 28 2.803 -12.338 -6.218 1.00 4.34 H new ATOM 0 HA ILE A 28 4.830 -12.154 -8.258 1.00 1.30 H new ATOM 0 HB ILE A 28 4.645 -13.820 -5.711 1.00 54.21 H new ATOM 0 HG12 ILE A 28 6.107 -11.244 -6.419 1.00 51.13 H new ATOM 0 HG13 ILE A 28 4.761 -11.406 -5.308 1.00 51.13 H new ATOM 0 HG21 ILE A 28 7.055 -14.244 -6.019 1.00 63.00 H new ATOM 0 HG22 ILE A 28 6.093 -14.933 -7.348 1.00 63.00 H new ATOM 0 HG23 ILE A 28 6.998 -13.420 -7.595 1.00 63.00 H new ATOM 0 HD11 ILE A 28 6.874 -11.179 -4.096 1.00 20.00 H new ATOM 0 HD12 ILE A 28 6.154 -12.779 -3.798 1.00 20.00 H new ATOM 0 HD13 ILE A 28 7.521 -12.614 -4.926 1.00 20.00 H new ATOM 444 N VAL A 29 4.206 -14.051 -9.724 1.00 33.30 N ATOM 445 CA VAL A 29 3.885 -15.143 -10.644 1.00 42.02 C ATOM 446 C VAL A 29 5.130 -16.016 -10.918 1.00 54.25 C ATOM 447 O VAL A 29 6.257 -15.592 -10.668 1.00 22.32 O ATOM 448 CB VAL A 29 3.332 -14.567 -11.977 1.00 54.43 C ATOM 449 CG1 VAL A 29 2.721 -15.663 -12.843 1.00 24.35 C ATOM 450 CG2 VAL A 29 2.311 -13.458 -11.707 1.00 23.31 C ATOM 0 H VAL A 29 4.626 -13.239 -10.176 1.00 33.30 H new ATOM 0 HA VAL A 29 3.124 -15.771 -10.181 1.00 42.02 H new ATOM 0 HB VAL A 29 4.170 -14.137 -12.526 1.00 54.43 H new ATOM 0 HG11 VAL A 29 2.343 -15.228 -13.768 1.00 24.35 H new ATOM 0 HG12 VAL A 29 3.481 -16.408 -13.077 1.00 24.35 H new ATOM 0 HG13 VAL A 29 1.901 -16.138 -12.304 1.00 24.35 H new ATOM 0 HG21 VAL A 29 1.937 -13.069 -12.654 1.00 23.31 H new ATOM 0 HG22 VAL A 29 1.481 -13.861 -11.127 1.00 23.31 H new ATOM 0 HG23 VAL A 29 2.787 -12.653 -11.147 1.00 23.31 H new ATOM 460 N GLY A 30 4.921 -17.227 -11.445 1.00 5.52 N ATOM 461 CA GLY A 30 6.023 -18.169 -11.679 1.00 23.30 C ATOM 462 C GLY A 30 7.204 -17.608 -12.490 1.00 54.32 C ATOM 463 O GLY A 30 8.306 -18.164 -12.444 1.00 14.32 O ATOM 0 H GLY A 30 4.003 -17.578 -11.717 1.00 5.52 H new ATOM 0 HA2 GLY A 30 6.396 -18.513 -10.715 1.00 23.30 H new ATOM 0 HA3 GLY A 30 5.629 -19.043 -12.198 1.00 23.30 H new ATOM 467 N LYS A 31 6.979 -16.529 -13.243 1.00 61.34 N ATOM 468 CA LYS A 31 8.044 -15.894 -14.042 1.00 71.23 C ATOM 469 C LYS A 31 8.316 -14.440 -13.613 1.00 70.54 C ATOM 470 O LYS A 31 8.911 -13.668 -14.369 1.00 21.25 O ATOM 471 CB LYS A 31 7.687 -15.925 -15.537 1.00 34.44 C ATOM 472 CG LYS A 31 7.793 -17.308 -16.171 1.00 31.15 C ATOM 473 CD LYS A 31 7.521 -17.261 -17.675 1.00 74.33 C ATOM 474 CE LYS A 31 6.073 -16.909 -17.984 1.00 72.20 C ATOM 475 NZ LYS A 31 5.137 -17.936 -17.463 1.00 40.20 N ATOM 0 H LYS A 31 6.070 -16.072 -13.320 1.00 61.34 H new ATOM 0 HA LYS A 31 8.952 -16.470 -13.864 1.00 71.23 H new ATOM 0 HB2 LYS A 31 6.670 -15.555 -15.665 1.00 34.44 H new ATOM 0 HB3 LYS A 31 8.345 -15.240 -16.072 1.00 34.44 H new ATOM 0 HG2 LYS A 31 8.789 -17.715 -15.993 1.00 31.15 H new ATOM 0 HG3 LYS A 31 7.083 -17.983 -15.693 1.00 31.15 H new ATOM 0 HD2 LYS A 31 8.179 -16.527 -18.139 1.00 74.33 H new ATOM 0 HD3 LYS A 31 7.761 -18.228 -18.117 1.00 74.33 H new ATOM 0 HE2 LYS A 31 5.832 -15.941 -17.545 1.00 72.20 H new ATOM 0 HE3 LYS A 31 5.944 -16.812 -19.062 1.00 72.20 H new ATOM 0 HZ1 LYS A 31 4.202 -17.807 -17.899 1.00 40.20 H new ATOM 0 HZ2 LYS A 31 5.498 -18.884 -17.693 1.00 40.20 H new ATOM 0 HZ3 LYS A 31 5.054 -17.838 -16.431 1.00 40.20 H new ATOM 489 N GLY A 32 7.887 -14.070 -12.409 1.00 45.34 N ATOM 490 CA GLY A 32 8.141 -12.720 -11.900 1.00 33.44 C ATOM 491 C GLY A 32 6.974 -12.142 -11.105 1.00 40.12 C ATOM 492 O GLY A 32 6.583 -12.686 -10.074 1.00 14.32 O ATOM 0 H GLY A 32 7.368 -14.675 -11.773 1.00 45.34 H new ATOM 0 HA2 GLY A 32 9.028 -12.740 -11.267 1.00 33.44 H new ATOM 0 HA3 GLY A 32 8.362 -12.059 -12.738 1.00 33.44 H new ATOM 496 N THR A 33 6.426 -11.021 -11.571 1.00 2.02 N ATOM 497 CA THR A 33 5.265 -10.388 -10.926 1.00 31.54 C ATOM 498 C THR A 33 4.236 -9.930 -11.963 1.00 35.41 C ATOM 499 O THR A 33 4.509 -9.904 -13.162 1.00 3.53 O ATOM 500 CB THR A 33 5.661 -9.159 -10.061 1.00 50.34 C ATOM 501 OG1 THR A 33 6.324 -8.171 -10.866 1.00 35.52 O ATOM 502 CG2 THR A 33 6.566 -9.559 -8.898 1.00 54.32 C ATOM 0 H THR A 33 6.765 -10.527 -12.396 1.00 2.02 H new ATOM 0 HA THR A 33 4.834 -11.152 -10.279 1.00 31.54 H new ATOM 0 HB THR A 33 4.742 -8.739 -9.652 1.00 50.34 H new ATOM 0 HG1 THR A 33 6.566 -7.403 -10.308 1.00 35.52 H new ATOM 0 HG21 THR A 33 6.822 -8.674 -8.315 1.00 54.32 H new ATOM 0 HG22 THR A 33 6.045 -10.274 -8.261 1.00 54.32 H new ATOM 0 HG23 THR A 33 7.477 -10.014 -9.286 1.00 54.32 H new ATOM 510 N SER A 34 3.044 -9.587 -11.494 1.00 10.21 N ATOM 511 CA SER A 34 1.993 -9.044 -12.360 1.00 23.33 C ATOM 512 C SER A 34 1.126 -8.045 -11.583 1.00 62.14 C ATOM 513 O SER A 34 0.711 -8.330 -10.459 1.00 64.15 O ATOM 514 CB SER A 34 1.119 -10.176 -12.922 1.00 33.13 C ATOM 515 OG SER A 34 1.866 -11.038 -13.776 1.00 24.25 O ATOM 0 H SER A 34 2.775 -9.674 -10.514 1.00 10.21 H new ATOM 0 HA SER A 34 2.468 -8.525 -13.193 1.00 23.33 H new ATOM 0 HB2 SER A 34 0.697 -10.754 -12.100 1.00 33.13 H new ATOM 0 HB3 SER A 34 0.282 -9.750 -13.475 1.00 33.13 H new ATOM 0 HG SER A 34 2.793 -10.724 -13.828 1.00 24.25 H new ATOM 521 N PRO A 35 0.859 -6.856 -12.159 1.00 1.24 N ATOM 522 CA PRO A 35 0.034 -5.820 -11.506 1.00 65.21 C ATOM 523 C PRO A 35 -1.346 -6.343 -11.070 1.00 22.22 C ATOM 524 O PRO A 35 -2.205 -6.643 -11.906 1.00 53.55 O ATOM 525 CB PRO A 35 -0.106 -4.737 -12.587 1.00 53.22 C ATOM 526 CG PRO A 35 1.082 -4.933 -13.473 1.00 1.34 C ATOM 527 CD PRO A 35 1.343 -6.416 -13.483 1.00 13.33 C ATOM 0 HA PRO A 35 0.492 -5.460 -10.585 1.00 65.21 H new ATOM 0 HB2 PRO A 35 -1.037 -4.849 -13.142 1.00 53.22 H new ATOM 0 HB3 PRO A 35 -0.114 -3.739 -12.149 1.00 53.22 H new ATOM 0 HG2 PRO A 35 0.885 -4.563 -14.479 1.00 1.34 H new ATOM 0 HG3 PRO A 35 1.946 -4.386 -13.096 1.00 1.34 H new ATOM 0 HD2 PRO A 35 0.808 -6.913 -14.292 1.00 13.33 H new ATOM 0 HD3 PRO A 35 2.402 -6.637 -13.618 1.00 13.33 H new ATOM 535 N LEU A 36 -1.548 -6.462 -9.758 1.00 24.42 N ATOM 536 CA LEU A 36 -2.812 -6.966 -9.213 1.00 4.12 C ATOM 537 C LEU A 36 -3.843 -5.835 -9.078 1.00 61.45 C ATOM 538 O LEU A 36 -4.981 -5.955 -9.535 1.00 3.31 O ATOM 539 CB LEU A 36 -2.570 -7.626 -7.847 1.00 4.31 C ATOM 540 CG LEU A 36 -3.769 -8.391 -7.265 1.00 53.21 C ATOM 541 CD1 LEU A 36 -4.095 -9.612 -8.124 1.00 64.44 C ATOM 542 CD2 LEU A 36 -3.500 -8.796 -5.816 1.00 70.23 C ATOM 0 H LEU A 36 -0.854 -6.217 -9.052 1.00 24.42 H new ATOM 0 HA LEU A 36 -3.210 -7.709 -9.904 1.00 4.12 H new ATOM 0 HB2 LEU A 36 -1.730 -8.315 -7.939 1.00 4.31 H new ATOM 0 HB3 LEU A 36 -2.273 -6.854 -7.137 1.00 4.31 H new ATOM 0 HG LEU A 36 -4.636 -7.730 -7.273 1.00 53.21 H new ATOM 0 HD11 LEU A 36 -4.947 -10.141 -7.696 1.00 64.44 H new ATOM 0 HD12 LEU A 36 -4.339 -9.290 -9.136 1.00 64.44 H new ATOM 0 HD13 LEU A 36 -3.232 -10.277 -8.153 1.00 64.44 H new ATOM 0 HD21 LEU A 36 -4.361 -9.336 -5.423 1.00 70.23 H new ATOM 0 HD22 LEU A 36 -2.620 -9.438 -5.775 1.00 70.23 H new ATOM 0 HD23 LEU A 36 -3.327 -7.903 -5.215 1.00 70.23 H new ATOM 554 N THR A 37 -3.435 -4.738 -8.440 1.00 43.44 N ATOM 555 CA THR A 37 -4.305 -3.562 -8.267 1.00 15.53 C ATOM 556 C THR A 37 -3.593 -2.284 -8.724 1.00 21.23 C ATOM 557 O THR A 37 -2.364 -2.206 -8.701 1.00 11.23 O ATOM 558 CB THR A 37 -4.743 -3.374 -6.792 1.00 13.22 C ATOM 559 OG1 THR A 37 -3.619 -2.996 -5.979 1.00 14.03 O ATOM 560 CG2 THR A 37 -5.364 -4.651 -6.230 1.00 53.52 C ATOM 0 H THR A 37 -2.506 -4.634 -8.032 1.00 43.44 H new ATOM 0 HA THR A 37 -5.188 -3.741 -8.880 1.00 15.53 H new ATOM 0 HB THR A 37 -5.492 -2.583 -6.771 1.00 13.22 H new ATOM 0 HG1 THR A 37 -3.927 -2.438 -5.234 1.00 14.03 H new ATOM 0 HG21 THR A 37 -5.660 -4.486 -5.194 1.00 53.52 H new ATOM 0 HG22 THR A 37 -6.240 -4.920 -6.820 1.00 53.52 H new ATOM 0 HG23 THR A 37 -4.635 -5.460 -6.274 1.00 53.52 H new ATOM 568 N SER A 38 -4.364 -1.278 -9.136 1.00 14.00 N ATOM 569 CA SER A 38 -3.780 -0.001 -9.577 1.00 40.04 C ATOM 570 C SER A 38 -3.579 0.960 -8.398 1.00 31.04 C ATOM 571 O SER A 38 -4.086 0.729 -7.301 1.00 54.05 O ATOM 572 CB SER A 38 -4.659 0.670 -10.639 1.00 14.53 C ATOM 573 OG SER A 38 -4.051 1.858 -11.137 1.00 11.43 O ATOM 0 H SER A 38 -5.383 -1.316 -9.176 1.00 14.00 H new ATOM 0 HA SER A 38 -2.807 -0.229 -10.012 1.00 40.04 H new ATOM 0 HB2 SER A 38 -4.834 -0.024 -11.461 1.00 14.53 H new ATOM 0 HB3 SER A 38 -5.633 0.909 -10.211 1.00 14.53 H new ATOM 0 HG SER A 38 -3.632 1.673 -12.004 1.00 11.43 H new ATOM 579 N TYR A 39 -2.835 2.040 -8.634 1.00 3.45 N ATOM 580 CA TYR A 39 -2.552 3.030 -7.586 1.00 43.31 C ATOM 581 C TYR A 39 -3.807 3.814 -7.174 1.00 71.02 C ATOM 582 O TYR A 39 -4.318 4.636 -7.937 1.00 62.13 O ATOM 583 CB TYR A 39 -1.464 4.014 -8.047 1.00 61.50 C ATOM 584 CG TYR A 39 -0.061 3.440 -8.051 1.00 42.32 C ATOM 585 CD1 TYR A 39 0.658 3.306 -6.868 1.00 12.13 C ATOM 586 CD2 TYR A 39 0.550 3.050 -9.236 1.00 23.00 C ATOM 587 CE1 TYR A 39 1.942 2.797 -6.867 1.00 10.15 C ATOM 588 CE2 TYR A 39 1.834 2.543 -9.242 1.00 41.52 C ATOM 589 CZ TYR A 39 2.526 2.419 -8.057 1.00 30.51 C ATOM 590 OH TYR A 39 3.809 1.923 -8.065 1.00 23.34 O ATOM 0 H TYR A 39 -2.416 2.255 -9.539 1.00 3.45 H new ATOM 0 HA TYR A 39 -2.200 2.474 -6.717 1.00 43.31 H new ATOM 0 HB2 TYR A 39 -1.705 4.358 -9.053 1.00 61.50 H new ATOM 0 HB3 TYR A 39 -1.484 4.889 -7.397 1.00 61.50 H new ATOM 0 HD1 TYR A 39 0.205 3.605 -5.934 1.00 12.13 H new ATOM 0 HD2 TYR A 39 0.012 3.145 -10.168 1.00 23.00 H new ATOM 0 HE1 TYR A 39 2.485 2.696 -5.939 1.00 10.15 H new ATOM 0 HE2 TYR A 39 2.294 2.245 -10.172 1.00 41.52 H new ATOM 0 HH TYR A 39 4.069 1.704 -8.984 1.00 23.34 H new ATOM 600 N PHE A 40 -4.298 3.548 -5.967 1.00 51.42 N ATOM 601 CA PHE A 40 -5.416 4.308 -5.396 1.00 22.14 C ATOM 602 C PHE A 40 -4.885 5.533 -4.631 1.00 23.54 C ATOM 603 O PHE A 40 -4.162 5.390 -3.645 1.00 24.54 O ATOM 604 CB PHE A 40 -6.241 3.414 -4.460 1.00 25.44 C ATOM 605 CG PHE A 40 -6.683 2.120 -5.093 1.00 63.13 C ATOM 606 CD1 PHE A 40 -7.638 2.113 -6.098 1.00 43.41 C ATOM 607 CD2 PHE A 40 -6.143 0.909 -4.681 1.00 32.52 C ATOM 608 CE1 PHE A 40 -8.045 0.927 -6.681 1.00 22.41 C ATOM 609 CE2 PHE A 40 -6.545 -0.278 -5.259 1.00 63.53 C ATOM 610 CZ PHE A 40 -7.498 -0.270 -6.260 1.00 54.14 C ATOM 0 H PHE A 40 -3.941 2.810 -5.360 1.00 51.42 H new ATOM 0 HA PHE A 40 -6.059 4.651 -6.206 1.00 22.14 H new ATOM 0 HB2 PHE A 40 -5.651 3.191 -3.571 1.00 25.44 H new ATOM 0 HB3 PHE A 40 -7.121 3.965 -4.128 1.00 25.44 H new ATOM 0 HD1 PHE A 40 -8.070 3.046 -6.430 1.00 43.41 H new ATOM 0 HD2 PHE A 40 -5.399 0.896 -3.898 1.00 32.52 H new ATOM 0 HE1 PHE A 40 -8.789 0.936 -7.464 1.00 22.41 H new ATOM 0 HE2 PHE A 40 -6.115 -1.212 -4.929 1.00 63.53 H new ATOM 0 HZ PHE A 40 -7.815 -1.198 -6.713 1.00 54.14 H new ATOM 620 N PHE A 41 -5.247 6.733 -5.091 1.00 1.00 N ATOM 621 CA PHE A 41 -4.669 7.976 -4.553 1.00 72.31 C ATOM 622 C PHE A 41 -5.355 8.445 -3.255 1.00 40.54 C ATOM 623 O PHE A 41 -6.457 8.991 -3.276 1.00 40.33 O ATOM 624 CB PHE A 41 -4.738 9.089 -5.609 1.00 50.44 C ATOM 625 CG PHE A 41 -3.957 8.788 -6.867 1.00 15.31 C ATOM 626 CD1 PHE A 41 -4.539 8.081 -7.912 1.00 64.45 C ATOM 627 CD2 PHE A 41 -2.642 9.212 -7.004 1.00 42.15 C ATOM 628 CE1 PHE A 41 -3.825 7.806 -9.064 1.00 74.24 C ATOM 629 CE2 PHE A 41 -1.926 8.940 -8.154 1.00 11.14 C ATOM 630 CZ PHE A 41 -2.518 8.236 -9.185 1.00 54.13 C ATOM 0 H PHE A 41 -5.934 6.875 -5.831 1.00 1.00 H new ATOM 0 HA PHE A 41 -3.630 7.758 -4.305 1.00 72.31 H new ATOM 0 HB2 PHE A 41 -5.781 9.262 -5.873 1.00 50.44 H new ATOM 0 HB3 PHE A 41 -4.362 10.014 -5.172 1.00 50.44 H new ATOM 0 HD1 PHE A 41 -5.561 7.742 -7.824 1.00 64.45 H new ATOM 0 HD2 PHE A 41 -2.173 9.761 -6.201 1.00 42.15 H new ATOM 0 HE1 PHE A 41 -4.289 7.255 -9.869 1.00 74.24 H new ATOM 0 HE2 PHE A 41 -0.904 9.277 -8.247 1.00 11.14 H new ATOM 0 HZ PHE A 41 -1.960 8.022 -10.084 1.00 54.13 H new ATOM 640 N TRP A 42 -4.675 8.235 -2.132 1.00 24.52 N ATOM 641 CA TRP A 42 -5.119 8.720 -0.816 1.00 43.21 C ATOM 642 C TRP A 42 -4.547 10.132 -0.533 1.00 1.45 C ATOM 643 O TRP A 42 -3.435 10.450 -0.960 1.00 12.20 O ATOM 644 CB TRP A 42 -4.676 7.689 0.251 1.00 51.40 C ATOM 645 CG TRP A 42 -4.566 8.202 1.661 1.00 30.32 C ATOM 646 CD1 TRP A 42 -3.487 8.823 2.208 1.00 25.10 C ATOM 647 CD2 TRP A 42 -5.545 8.112 2.707 1.00 70.33 C ATOM 648 NE1 TRP A 42 -3.722 9.131 3.514 1.00 74.34 N ATOM 649 CE2 TRP A 42 -4.980 8.709 3.851 1.00 74.04 C ATOM 650 CE3 TRP A 42 -6.843 7.594 2.793 1.00 1.25 C ATOM 651 CZ2 TRP A 42 -5.659 8.803 5.059 1.00 13.22 C ATOM 652 CZ3 TRP A 42 -7.517 7.685 3.998 1.00 50.41 C ATOM 653 CH2 TRP A 42 -6.922 8.287 5.119 1.00 53.44 C ATOM 0 H TRP A 42 -3.794 7.721 -2.102 1.00 24.52 H new ATOM 0 HA TRP A 42 -6.204 8.816 -0.790 1.00 43.21 H new ATOM 0 HB2 TRP A 42 -5.384 6.860 0.242 1.00 51.40 H new ATOM 0 HB3 TRP A 42 -3.708 7.285 -0.044 1.00 51.40 H new ATOM 0 HD1 TRP A 42 -2.571 9.042 1.680 1.00 25.10 H new ATOM 0 HE1 TRP A 42 -3.067 9.600 4.139 1.00 74.34 H new ATOM 0 HE3 TRP A 42 -7.309 7.132 1.935 1.00 1.25 H new ATOM 0 HZ2 TRP A 42 -5.204 9.268 5.921 1.00 13.22 H new ATOM 0 HZ3 TRP A 42 -8.518 7.286 4.078 1.00 50.41 H new ATOM 0 HH2 TRP A 42 -7.474 8.343 6.046 1.00 53.44 H new ATOM 664 N PRO A 43 -5.291 11.016 0.176 1.00 75.13 N ATOM 665 CA PRO A 43 -6.630 10.738 0.723 1.00 1.10 C ATOM 666 C PRO A 43 -7.785 11.160 -0.204 1.00 23.11 C ATOM 667 O PRO A 43 -8.952 11.131 0.201 1.00 24.42 O ATOM 668 CB PRO A 43 -6.620 11.591 1.990 1.00 54.22 C ATOM 669 CG PRO A 43 -5.822 12.804 1.618 1.00 71.32 C ATOM 670 CD PRO A 43 -4.854 12.380 0.527 1.00 21.10 C ATOM 0 HA PRO A 43 -6.803 9.672 0.873 1.00 1.10 H new ATOM 0 HB2 PRO A 43 -7.631 11.859 2.296 1.00 54.22 H new ATOM 0 HB3 PRO A 43 -6.165 11.057 2.825 1.00 54.22 H new ATOM 0 HG2 PRO A 43 -6.475 13.602 1.265 1.00 71.32 H new ATOM 0 HG3 PRO A 43 -5.283 13.191 2.483 1.00 71.32 H new ATOM 0 HD2 PRO A 43 -4.903 13.049 -0.332 1.00 21.10 H new ATOM 0 HD3 PRO A 43 -3.823 12.391 0.881 1.00 21.10 H new ATOM 678 N ARG A 44 -7.461 11.547 -1.442 1.00 34.12 N ATOM 679 CA ARG A 44 -8.485 11.961 -2.418 1.00 21.14 C ATOM 680 C ARG A 44 -9.496 10.830 -2.660 1.00 34.32 C ATOM 681 O ARG A 44 -10.682 11.069 -2.885 1.00 44.44 O ATOM 682 CB ARG A 44 -7.836 12.366 -3.749 1.00 72.35 C ATOM 683 CG ARG A 44 -6.745 13.424 -3.618 1.00 73.32 C ATOM 684 CD ARG A 44 -6.273 13.925 -4.983 1.00 43.14 C ATOM 685 NE ARG A 44 -5.925 12.833 -5.889 1.00 23.31 N ATOM 686 CZ ARG A 44 -5.369 12.994 -7.061 1.00 54.11 C ATOM 687 NH1 ARG A 44 -5.052 14.172 -7.492 1.00 43.03 N ATOM 688 NH2 ARG A 44 -5.147 11.968 -7.809 1.00 51.34 N ATOM 0 H ARG A 44 -6.505 11.584 -1.795 1.00 34.12 H new ATOM 0 HA ARG A 44 -9.010 12.822 -2.004 1.00 21.14 H new ATOM 0 HB2 ARG A 44 -7.411 11.478 -4.218 1.00 72.35 H new ATOM 0 HB3 ARG A 44 -8.610 12.740 -4.419 1.00 72.35 H new ATOM 0 HG2 ARG A 44 -7.121 14.263 -3.033 1.00 73.32 H new ATOM 0 HG3 ARG A 44 -5.899 13.008 -3.071 1.00 73.32 H new ATOM 0 HD2 ARG A 44 -7.057 14.532 -5.435 1.00 43.14 H new ATOM 0 HD3 ARG A 44 -5.406 14.572 -4.849 1.00 43.14 H new ATOM 0 HE ARG A 44 -6.130 11.881 -5.587 1.00 23.31 H new ATOM 0 HH11 ARG A 44 -5.235 14.993 -6.915 1.00 43.03 H new ATOM 0 HH12 ARG A 44 -4.619 14.280 -8.409 1.00 43.03 H new ATOM 0 HH21 ARG A 44 -5.405 11.036 -7.486 1.00 51.34 H new ATOM 0 HH22 ARG A 44 -4.713 12.088 -8.724 1.00 51.34 H new ATOM 702 N ALA A 45 -9.004 9.600 -2.605 1.00 63.53 N ATOM 703 CA ALA A 45 -9.835 8.407 -2.742 1.00 35.04 C ATOM 704 C ALA A 45 -9.555 7.427 -1.596 1.00 43.41 C ATOM 705 O ALA A 45 -8.470 7.440 -1.009 1.00 61.23 O ATOM 706 CB ALA A 45 -9.577 7.741 -4.092 1.00 52.40 C ATOM 0 H ALA A 45 -8.014 9.398 -2.464 1.00 63.53 H new ATOM 0 HA ALA A 45 -10.883 8.701 -2.693 1.00 35.04 H new ATOM 0 HB1 ALA A 45 -10.201 6.852 -4.185 1.00 52.40 H new ATOM 0 HB2 ALA A 45 -9.818 8.439 -4.894 1.00 52.40 H new ATOM 0 HB3 ALA A 45 -8.527 7.456 -4.162 1.00 52.40 H new ATOM 712 N ASP A 46 -10.531 6.586 -1.272 1.00 74.25 N ATOM 713 CA ASP A 46 -10.369 5.596 -0.203 1.00 15.34 C ATOM 714 C ASP A 46 -9.400 4.481 -0.630 1.00 71.25 C ATOM 715 O ASP A 46 -9.814 3.389 -1.016 1.00 62.31 O ATOM 716 CB ASP A 46 -11.731 5.013 0.188 1.00 3.24 C ATOM 717 CG ASP A 46 -12.694 6.094 0.637 1.00 62.11 C ATOM 718 OD1 ASP A 46 -12.624 6.506 1.813 1.00 62.11 O ATOM 719 OD2 ASP A 46 -13.520 6.545 -0.182 1.00 71.12 O ATOM 0 H ASP A 46 -11.442 6.566 -1.730 1.00 74.25 H new ATOM 0 HA ASP A 46 -9.942 6.094 0.667 1.00 15.34 H new ATOM 0 HB2 ASP A 46 -12.155 4.477 -0.661 1.00 3.24 H new ATOM 0 HB3 ASP A 46 -11.600 4.286 0.990 1.00 3.24 H new ATOM 724 N ALA A 47 -8.105 4.786 -0.576 1.00 55.53 N ATOM 725 CA ALA A 47 -7.058 3.863 -1.028 1.00 23.22 C ATOM 726 C ALA A 47 -7.118 2.501 -0.322 1.00 33.53 C ATOM 727 O ALA A 47 -7.309 1.470 -0.966 1.00 55.34 O ATOM 728 CB ALA A 47 -5.685 4.494 -0.835 1.00 74.13 C ATOM 0 H ALA A 47 -7.750 5.674 -0.220 1.00 55.53 H new ATOM 0 HA ALA A 47 -7.234 3.678 -2.088 1.00 23.22 H new ATOM 0 HB1 ALA A 47 -4.915 3.801 -1.174 1.00 74.13 H new ATOM 0 HB2 ALA A 47 -5.623 5.416 -1.414 1.00 74.13 H new ATOM 0 HB3 ALA A 47 -5.533 4.718 0.221 1.00 74.13 H new ATOM 734 N TRP A 48 -6.954 2.505 0.999 1.00 2.05 N ATOM 735 CA TRP A 48 -6.918 1.263 1.782 1.00 34.10 C ATOM 736 C TRP A 48 -8.217 0.454 1.619 1.00 53.42 C ATOM 737 O TRP A 48 -8.186 -0.770 1.461 1.00 60.21 O ATOM 738 CB TRP A 48 -6.680 1.589 3.260 1.00 30.02 C ATOM 739 CG TRP A 48 -6.361 0.389 4.106 1.00 31.20 C ATOM 740 CD1 TRP A 48 -5.155 -0.246 4.205 1.00 64.03 C ATOM 741 CD2 TRP A 48 -7.256 -0.311 4.981 1.00 34.31 C ATOM 742 NE1 TRP A 48 -5.247 -1.296 5.083 1.00 33.22 N ATOM 743 CE2 TRP A 48 -6.525 -1.357 5.573 1.00 25.04 C ATOM 744 CE3 TRP A 48 -8.604 -0.153 5.319 1.00 13.24 C ATOM 745 CZ2 TRP A 48 -7.095 -2.240 6.486 1.00 44.13 C ATOM 746 CZ3 TRP A 48 -9.170 -1.030 6.228 1.00 4.25 C ATOM 747 CH2 TRP A 48 -8.416 -2.062 6.802 1.00 3.21 C ATOM 0 H TRP A 48 -6.843 3.354 1.554 1.00 2.05 H new ATOM 0 HA TRP A 48 -6.098 0.650 1.408 1.00 34.10 H new ATOM 0 HB2 TRP A 48 -5.860 2.303 3.337 1.00 30.02 H new ATOM 0 HB3 TRP A 48 -7.568 2.078 3.661 1.00 30.02 H new ATOM 0 HD1 TRP A 48 -4.260 0.037 3.670 1.00 64.03 H new ATOM 0 HE1 TRP A 48 -4.487 -1.929 5.331 1.00 33.22 H new ATOM 0 HE3 TRP A 48 -9.192 0.639 4.879 1.00 13.24 H new ATOM 0 HZ2 TRP A 48 -6.516 -3.037 6.929 1.00 44.13 H new ATOM 0 HZ3 TRP A 48 -10.209 -0.917 6.499 1.00 4.25 H new ATOM 0 HH2 TRP A 48 -8.886 -2.731 7.508 1.00 3.21 H new ATOM 758 N GLN A 49 -9.355 1.146 1.654 1.00 1.14 N ATOM 759 CA GLN A 49 -10.660 0.498 1.496 1.00 25.43 C ATOM 760 C GLN A 49 -10.800 -0.160 0.115 1.00 60.45 C ATOM 761 O GLN A 49 -11.180 -1.324 0.010 1.00 12.32 O ATOM 762 CB GLN A 49 -11.793 1.510 1.709 1.00 35.22 C ATOM 763 CG GLN A 49 -13.188 0.885 1.700 1.00 3.21 C ATOM 764 CD GLN A 49 -13.397 -0.131 2.814 1.00 43.20 C ATOM 765 OE1 GLN A 49 -12.763 0.082 3.948 1.00 65.11 O flip ATOM 766 NE2 GLN A 49 -14.138 -1.098 2.664 1.00 4.24 N flip ATOM 0 H GLN A 49 -9.402 2.156 1.790 1.00 1.14 H new ATOM 0 HA GLN A 49 -10.730 -0.283 2.253 1.00 25.43 H new ATOM 0 HB2 GLN A 49 -11.639 2.019 2.661 1.00 35.22 H new ATOM 0 HB3 GLN A 49 -11.740 2.270 0.929 1.00 35.22 H new ATOM 0 HG2 GLN A 49 -13.934 1.675 1.793 1.00 3.21 H new ATOM 0 HG3 GLN A 49 -13.356 0.400 0.738 1.00 3.21 H new ATOM 0 HE21 GLN A 49 -14.618 -1.240 1.775 1.00 4.24 H new ATOM 0 HE22 GLN A 49 -14.274 -1.760 3.428 1.00 4.24 H new ATOM 775 N GLN A 50 -10.493 0.589 -0.943 1.00 14.31 N ATOM 776 CA GLN A 50 -10.558 0.051 -2.307 1.00 31.12 C ATOM 777 C GLN A 50 -9.524 -1.067 -2.516 1.00 2.41 C ATOM 778 O GLN A 50 -9.770 -2.021 -3.256 1.00 62.45 O ATOM 779 CB GLN A 50 -10.356 1.171 -3.341 1.00 11.55 C ATOM 780 CG GLN A 50 -11.476 2.213 -3.337 1.00 4.43 C ATOM 781 CD GLN A 50 -11.257 3.338 -4.340 1.00 30.13 C ATOM 782 OE1 GLN A 50 -10.011 3.679 -4.601 1.00 54.54 O flip ATOM 783 NE2 GLN A 50 -12.206 3.907 -4.871 1.00 35.34 N flip ATOM 0 H GLN A 50 -10.198 1.564 -0.886 1.00 14.31 H new ATOM 0 HA GLN A 50 -11.550 -0.379 -2.448 1.00 31.12 H new ATOM 0 HB2 GLN A 50 -9.406 1.669 -3.145 1.00 11.55 H new ATOM 0 HB3 GLN A 50 -10.285 0.729 -4.335 1.00 11.55 H new ATOM 0 HG2 GLN A 50 -12.423 1.719 -3.557 1.00 4.43 H new ATOM 0 HG3 GLN A 50 -11.563 2.639 -2.337 1.00 4.43 H new ATOM 0 HE21 GLN A 50 -13.160 3.622 -4.650 1.00 35.34 H new ATOM 0 HE22 GLN A 50 -12.041 4.665 -5.533 1.00 35.34 H new ATOM 792 N LEU A 51 -8.373 -0.953 -1.851 1.00 74.04 N ATOM 793 CA LEU A 51 -7.337 -1.989 -1.922 1.00 42.14 C ATOM 794 C LEU A 51 -7.840 -3.319 -1.343 1.00 74.34 C ATOM 795 O LEU A 51 -7.767 -4.360 -2.000 1.00 62.30 O ATOM 796 CB LEU A 51 -6.071 -1.541 -1.177 1.00 41.32 C ATOM 797 CG LEU A 51 -4.928 -2.574 -1.160 1.00 12.20 C ATOM 798 CD1 LEU A 51 -4.496 -2.932 -2.580 1.00 54.30 C ATOM 799 CD2 LEU A 51 -3.742 -2.067 -0.341 1.00 33.54 C ATOM 0 H LEU A 51 -8.134 -0.158 -1.259 1.00 74.04 H new ATOM 0 HA LEU A 51 -7.095 -2.141 -2.974 1.00 42.14 H new ATOM 0 HB2 LEU A 51 -5.704 -0.622 -1.634 1.00 41.32 H new ATOM 0 HB3 LEU A 51 -6.339 -1.300 -0.148 1.00 41.32 H new ATOM 0 HG LEU A 51 -5.302 -3.479 -0.682 1.00 12.20 H new ATOM 0 HD11 LEU A 51 -3.688 -3.663 -2.541 1.00 54.30 H new ATOM 0 HD12 LEU A 51 -5.342 -3.355 -3.122 1.00 54.30 H new ATOM 0 HD13 LEU A 51 -4.149 -2.034 -3.092 1.00 54.30 H new ATOM 0 HD21 LEU A 51 -2.950 -2.816 -0.346 1.00 33.54 H new ATOM 0 HD22 LEU A 51 -3.368 -1.141 -0.777 1.00 33.54 H new ATOM 0 HD23 LEU A 51 -4.061 -1.883 0.685 1.00 33.54 H new ATOM 811 N LYS A 52 -8.354 -3.285 -0.111 1.00 3.42 N ATOM 812 CA LYS A 52 -8.893 -4.492 0.518 1.00 23.13 C ATOM 813 C LYS A 52 -10.122 -4.995 -0.247 1.00 12.44 C ATOM 814 O LYS A 52 -10.327 -6.197 -0.377 1.00 34.23 O ATOM 815 CB LYS A 52 -9.239 -4.242 1.995 1.00 63.14 C ATOM 816 CG LYS A 52 -10.465 -3.363 2.231 1.00 13.11 C ATOM 817 CD LYS A 52 -10.667 -3.055 3.715 1.00 43.11 C ATOM 818 CE LYS A 52 -10.788 -4.325 4.562 1.00 31.33 C ATOM 819 NZ LYS A 52 -12.016 -5.103 4.250 1.00 63.05 N ATOM 0 H LYS A 52 -8.408 -2.445 0.465 1.00 3.42 H new ATOM 0 HA LYS A 52 -8.123 -5.262 0.481 1.00 23.13 H new ATOM 0 HB2 LYS A 52 -9.401 -5.203 2.482 1.00 63.14 H new ATOM 0 HB3 LYS A 52 -8.380 -3.779 2.480 1.00 63.14 H new ATOM 0 HG2 LYS A 52 -10.355 -2.430 1.678 1.00 13.11 H new ATOM 0 HG3 LYS A 52 -11.351 -3.863 1.840 1.00 13.11 H new ATOM 0 HD2 LYS A 52 -9.830 -2.458 4.077 1.00 43.11 H new ATOM 0 HD3 LYS A 52 -11.566 -2.451 3.839 1.00 43.11 H new ATOM 0 HE2 LYS A 52 -9.912 -4.953 4.397 1.00 31.33 H new ATOM 0 HE3 LYS A 52 -10.792 -4.055 5.618 1.00 31.33 H new ATOM 0 HZ1 LYS A 52 -11.947 -6.048 4.679 1.00 63.05 H new ATOM 0 HZ2 LYS A 52 -12.847 -4.609 4.634 1.00 63.05 H new ATOM 0 HZ3 LYS A 52 -12.115 -5.197 3.219 1.00 63.05 H new ATOM 833 N ASP A 53 -10.921 -4.061 -0.769 1.00 62.31 N ATOM 834 CA ASP A 53 -12.088 -4.400 -1.589 1.00 64.43 C ATOM 835 C ASP A 53 -11.676 -5.233 -2.817 1.00 65.44 C ATOM 836 O ASP A 53 -12.308 -6.241 -3.135 1.00 34.45 O ATOM 837 CB ASP A 53 -12.804 -3.117 -2.023 1.00 40.15 C ATOM 838 CG ASP A 53 -14.059 -3.390 -2.831 1.00 33.30 C ATOM 839 OD1 ASP A 53 -15.090 -3.767 -2.230 1.00 24.43 O ATOM 840 OD2 ASP A 53 -14.029 -3.215 -4.067 1.00 21.23 O ATOM 0 H ASP A 53 -10.780 -3.059 -0.638 1.00 62.31 H new ATOM 0 HA ASP A 53 -12.771 -5.004 -0.992 1.00 64.43 H new ATOM 0 HB2 ASP A 53 -13.066 -2.535 -1.139 1.00 40.15 H new ATOM 0 HB3 ASP A 53 -12.121 -2.508 -2.615 1.00 40.15 H new ATOM 845 N GLU A 54 -10.611 -4.806 -3.497 1.00 50.00 N ATOM 846 CA GLU A 54 -10.037 -5.581 -4.602 1.00 72.45 C ATOM 847 C GLU A 54 -9.604 -6.977 -4.128 1.00 73.35 C ATOM 848 O GLU A 54 -9.893 -7.980 -4.775 1.00 52.43 O ATOM 849 CB GLU A 54 -8.828 -4.852 -5.208 1.00 62.54 C ATOM 850 CG GLU A 54 -9.178 -3.592 -5.995 1.00 53.32 C ATOM 851 CD GLU A 54 -9.909 -3.891 -7.296 1.00 22.20 C ATOM 852 OE1 GLU A 54 -9.239 -4.242 -8.294 1.00 71.44 O ATOM 853 OE2 GLU A 54 -11.151 -3.777 -7.332 1.00 73.22 O ATOM 0 H GLU A 54 -10.128 -3.929 -3.304 1.00 50.00 H new ATOM 0 HA GLU A 54 -10.810 -5.689 -5.363 1.00 72.45 H new ATOM 0 HB2 GLU A 54 -8.141 -4.585 -4.405 1.00 62.54 H new ATOM 0 HB3 GLU A 54 -8.297 -5.540 -5.866 1.00 62.54 H new ATOM 0 HG2 GLU A 54 -9.798 -2.944 -5.376 1.00 53.32 H new ATOM 0 HG3 GLU A 54 -8.263 -3.042 -6.216 1.00 53.32 H new ATOM 860 N LEU A 55 -8.911 -7.029 -2.993 1.00 21.14 N ATOM 861 CA LEU A 55 -8.435 -8.297 -2.422 1.00 40.02 C ATOM 862 C LEU A 55 -9.600 -9.214 -1.999 1.00 31.50 C ATOM 863 O LEU A 55 -9.501 -10.437 -2.078 1.00 10.32 O ATOM 864 CB LEU A 55 -7.522 -8.018 -1.220 1.00 12.32 C ATOM 865 CG LEU A 55 -6.246 -7.217 -1.538 1.00 62.44 C ATOM 866 CD1 LEU A 55 -5.467 -6.909 -0.263 1.00 3.54 C ATOM 867 CD2 LEU A 55 -5.369 -7.971 -2.538 1.00 12.53 C ATOM 0 H LEU A 55 -8.663 -6.206 -2.444 1.00 21.14 H new ATOM 0 HA LEU A 55 -7.873 -8.818 -3.197 1.00 40.02 H new ATOM 0 HB2 LEU A 55 -8.094 -7.475 -0.468 1.00 12.32 H new ATOM 0 HB3 LEU A 55 -7.233 -8.970 -0.775 1.00 12.32 H new ATOM 0 HG LEU A 55 -6.544 -6.271 -1.991 1.00 62.44 H new ATOM 0 HD11 LEU A 55 -4.570 -6.343 -0.513 1.00 3.54 H new ATOM 0 HD12 LEU A 55 -6.091 -6.322 0.412 1.00 3.54 H new ATOM 0 HD13 LEU A 55 -5.183 -7.842 0.224 1.00 3.54 H new ATOM 0 HD21 LEU A 55 -4.473 -7.387 -2.749 1.00 12.53 H new ATOM 0 HD22 LEU A 55 -5.083 -8.935 -2.117 1.00 12.53 H new ATOM 0 HD23 LEU A 55 -5.925 -8.129 -3.462 1.00 12.53 H new ATOM 879 N GLU A 56 -10.695 -8.614 -1.536 1.00 33.35 N ATOM 880 CA GLU A 56 -11.900 -9.364 -1.157 1.00 41.42 C ATOM 881 C GLU A 56 -12.680 -9.815 -2.403 1.00 62.42 C ATOM 882 O GLU A 56 -13.312 -10.875 -2.407 1.00 32.14 O ATOM 883 CB GLU A 56 -12.794 -8.504 -0.249 1.00 74.03 C ATOM 884 CG GLU A 56 -12.157 -8.179 1.100 1.00 50.30 C ATOM 885 CD GLU A 56 -12.949 -7.155 1.902 1.00 31.21 C ATOM 886 OE1 GLU A 56 -12.710 -5.940 1.729 1.00 65.02 O ATOM 887 OE2 GLU A 56 -13.810 -7.553 2.710 1.00 75.54 O ATOM 0 H GLU A 56 -10.776 -7.605 -1.412 1.00 33.35 H new ATOM 0 HA GLU A 56 -11.592 -10.255 -0.609 1.00 41.42 H new ATOM 0 HB2 GLU A 56 -13.032 -7.573 -0.763 1.00 74.03 H new ATOM 0 HB3 GLU A 56 -13.736 -9.025 -0.081 1.00 74.03 H new ATOM 0 HG2 GLU A 56 -12.065 -9.096 1.682 1.00 50.30 H new ATOM 0 HG3 GLU A 56 -11.147 -7.802 0.937 1.00 50.30 H new ATOM 894 N ALA A 57 -12.637 -8.997 -3.451 1.00 33.51 N ATOM 895 CA ALA A 57 -13.243 -9.344 -4.739 1.00 22.44 C ATOM 896 C ALA A 57 -12.481 -10.494 -5.411 1.00 22.00 C ATOM 897 O ALA A 57 -13.077 -11.398 -6.005 1.00 0.12 O ATOM 898 CB ALA A 57 -13.268 -8.122 -5.651 1.00 74.40 C ATOM 0 H ALA A 57 -12.186 -8.082 -3.436 1.00 33.51 H new ATOM 0 HA ALA A 57 -14.266 -9.674 -4.559 1.00 22.44 H new ATOM 0 HB1 ALA A 57 -13.720 -8.390 -6.606 1.00 74.40 H new ATOM 0 HB2 ALA A 57 -13.852 -7.330 -5.182 1.00 74.40 H new ATOM 0 HB3 ALA A 57 -12.249 -7.771 -5.818 1.00 74.40 H new ATOM 904 N LYS A 58 -11.155 -10.447 -5.320 1.00 64.24 N ATOM 905 CA LYS A 58 -10.300 -11.519 -5.827 1.00 2.52 C ATOM 906 C LYS A 58 -10.272 -12.679 -4.817 1.00 32.11 C ATOM 907 O LYS A 58 -9.397 -12.761 -3.959 1.00 43.52 O ATOM 908 CB LYS A 58 -8.888 -10.980 -6.091 1.00 50.45 C ATOM 909 CG LYS A 58 -8.864 -9.763 -7.018 1.00 64.10 C ATOM 910 CD LYS A 58 -7.471 -9.143 -7.110 1.00 34.23 C ATOM 911 CE LYS A 58 -7.472 -7.822 -7.878 1.00 51.15 C ATOM 912 NZ LYS A 58 -7.924 -7.980 -9.286 1.00 25.21 N ATOM 0 H LYS A 58 -10.645 -9.672 -4.897 1.00 64.24 H new ATOM 0 HA LYS A 58 -10.701 -11.894 -6.769 1.00 2.52 H new ATOM 0 HB2 LYS A 58 -8.426 -10.712 -5.141 1.00 50.45 H new ATOM 0 HB3 LYS A 58 -8.281 -11.772 -6.529 1.00 50.45 H new ATOM 0 HG2 LYS A 58 -9.196 -10.058 -8.013 1.00 64.10 H new ATOM 0 HG3 LYS A 58 -9.570 -9.016 -6.655 1.00 64.10 H new ATOM 0 HD2 LYS A 58 -7.083 -8.976 -6.105 1.00 34.23 H new ATOM 0 HD3 LYS A 58 -6.795 -9.844 -7.600 1.00 34.23 H new ATOM 0 HE2 LYS A 58 -8.122 -7.111 -7.369 1.00 51.15 H new ATOM 0 HE3 LYS A 58 -6.467 -7.399 -7.868 1.00 51.15 H new ATOM 0 HZ1 LYS A 58 -7.858 -7.065 -9.777 1.00 25.21 H new ATOM 0 HZ2 LYS A 58 -7.320 -8.676 -9.768 1.00 25.21 H new ATOM 0 HZ3 LYS A 58 -8.910 -8.309 -9.299 1.00 25.21 H new ATOM 926 N HIS A 59 -11.250 -13.572 -4.935 1.00 34.40 N ATOM 927 CA HIS A 59 -11.503 -14.605 -3.924 1.00 74.55 C ATOM 928 C HIS A 59 -10.418 -15.695 -3.873 1.00 1.50 C ATOM 929 O HIS A 59 -10.493 -16.606 -3.048 1.00 52.13 O ATOM 930 CB HIS A 59 -12.881 -15.232 -4.162 1.00 4.40 C ATOM 931 CG HIS A 59 -14.014 -14.272 -3.942 1.00 15.34 C ATOM 932 ND1 HIS A 59 -14.558 -13.497 -4.946 1.00 63.20 N ATOM 933 CD2 HIS A 59 -14.707 -13.961 -2.819 1.00 22.34 C ATOM 934 CE1 HIS A 59 -15.529 -12.756 -4.452 1.00 1.44 C ATOM 935 NE2 HIS A 59 -15.638 -13.018 -3.167 1.00 34.43 N ATOM 0 H HIS A 59 -11.890 -13.604 -5.729 1.00 34.40 H new ATOM 0 HA HIS A 59 -11.477 -14.110 -2.953 1.00 74.55 H new ATOM 0 HB2 HIS A 59 -12.929 -15.612 -5.182 1.00 4.40 H new ATOM 0 HB3 HIS A 59 -13.004 -16.087 -3.497 1.00 4.40 H new ATOM 0 HD2 HIS A 59 -14.554 -14.378 -1.835 1.00 22.34 H new ATOM 0 HE1 HIS A 59 -16.133 -12.053 -5.007 1.00 1.44 H new ATOM 0 HE2 HIS A 59 -16.309 -12.587 -2.531 1.00 34.43 H new ATOM 944 N TRP A 60 -9.416 -15.612 -4.744 1.00 62.23 N ATOM 945 CA TRP A 60 -8.281 -16.547 -4.691 1.00 54.23 C ATOM 946 C TRP A 60 -7.202 -16.072 -3.690 1.00 41.12 C ATOM 947 O TRP A 60 -6.207 -16.764 -3.458 1.00 21.21 O ATOM 948 CB TRP A 60 -7.683 -16.764 -6.093 1.00 33.14 C ATOM 949 CG TRP A 60 -7.151 -15.523 -6.756 1.00 14.43 C ATOM 950 CD1 TRP A 60 -7.877 -14.539 -7.367 1.00 15.12 C ATOM 951 CD2 TRP A 60 -5.773 -15.148 -6.894 1.00 64.23 C ATOM 952 NE1 TRP A 60 -7.037 -13.574 -7.867 1.00 61.01 N ATOM 953 CE2 TRP A 60 -5.742 -13.925 -7.590 1.00 10.41 C ATOM 954 CE3 TRP A 60 -4.564 -15.725 -6.490 1.00 24.04 C ATOM 955 CZ2 TRP A 60 -4.550 -13.271 -7.895 1.00 61.23 C ATOM 956 CZ3 TRP A 60 -3.380 -15.075 -6.793 1.00 1.52 C ATOM 957 CH2 TRP A 60 -3.381 -13.858 -7.489 1.00 13.11 C ATOM 0 H TRP A 60 -9.360 -14.918 -5.489 1.00 62.23 H new ATOM 0 HA TRP A 60 -8.657 -17.505 -4.333 1.00 54.23 H new ATOM 0 HB2 TRP A 60 -6.876 -17.493 -6.018 1.00 33.14 H new ATOM 0 HB3 TRP A 60 -8.448 -17.201 -6.734 1.00 33.14 H new ATOM 0 HD1 TRP A 60 -8.954 -14.523 -7.445 1.00 15.12 H new ATOM 0 HE1 TRP A 60 -7.330 -12.733 -8.364 1.00 61.01 H new ATOM 0 HE3 TRP A 60 -4.555 -16.661 -5.951 1.00 24.04 H new ATOM 0 HZ2 TRP A 60 -4.548 -12.334 -8.433 1.00 61.23 H new ATOM 0 HZ3 TRP A 60 -2.441 -15.512 -6.488 1.00 1.52 H new ATOM 0 HH2 TRP A 60 -2.441 -13.374 -7.709 1.00 13.11 H new ATOM 968 N ILE A 61 -7.420 -14.895 -3.100 1.00 70.22 N ATOM 969 CA ILE A 61 -6.543 -14.362 -2.044 1.00 74.32 C ATOM 970 C ILE A 61 -6.905 -14.961 -0.672 1.00 5.11 C ATOM 971 O ILE A 61 -8.082 -15.058 -0.313 1.00 75.54 O ATOM 972 CB ILE A 61 -6.627 -12.804 -1.966 1.00 23.02 C ATOM 973 CG1 ILE A 61 -5.821 -12.134 -3.101 1.00 11.23 C ATOM 974 CG2 ILE A 61 -6.137 -12.290 -0.610 1.00 64.22 C ATOM 975 CD1 ILE A 61 -6.233 -12.540 -4.499 1.00 3.42 C ATOM 0 H ILE A 61 -8.203 -14.285 -3.335 1.00 70.22 H new ATOM 0 HA ILE A 61 -5.523 -14.646 -2.302 1.00 74.32 H new ATOM 0 HB ILE A 61 -7.677 -12.537 -2.085 1.00 23.02 H new ATOM 0 HG12 ILE A 61 -5.920 -11.053 -3.008 1.00 11.23 H new ATOM 0 HG13 ILE A 61 -4.765 -12.370 -2.966 1.00 11.23 H new ATOM 0 HG21 ILE A 61 -6.207 -11.203 -0.586 1.00 64.22 H new ATOM 0 HG22 ILE A 61 -6.754 -12.711 0.183 1.00 64.22 H new ATOM 0 HG23 ILE A 61 -5.100 -12.590 -0.460 1.00 64.22 H new ATOM 0 HD11 ILE A 61 -5.612 -12.019 -5.227 1.00 3.42 H new ATOM 0 HD12 ILE A 61 -6.106 -13.616 -4.618 1.00 3.42 H new ATOM 0 HD13 ILE A 61 -7.279 -12.278 -4.661 1.00 3.42 H new ATOM 987 N ALA A 62 -5.891 -15.367 0.092 1.00 42.12 N ATOM 988 CA ALA A 62 -6.108 -15.895 1.444 1.00 1.34 C ATOM 989 C ALA A 62 -6.173 -14.762 2.482 1.00 5.10 C ATOM 990 O ALA A 62 -5.655 -13.665 2.254 1.00 63.33 O ATOM 991 CB ALA A 62 -5.006 -16.884 1.807 1.00 14.04 C ATOM 0 H ALA A 62 -4.914 -15.342 -0.199 1.00 42.12 H new ATOM 0 HA ALA A 62 -7.067 -16.413 1.454 1.00 1.34 H new ATOM 0 HB1 ALA A 62 -5.179 -17.268 2.812 1.00 14.04 H new ATOM 0 HB2 ALA A 62 -5.011 -17.711 1.097 1.00 14.04 H new ATOM 0 HB3 ALA A 62 -4.040 -16.381 1.772 1.00 14.04 H new ATOM 997 N GLU A 63 -6.801 -15.035 3.626 1.00 32.02 N ATOM 998 CA GLU A 63 -6.947 -14.029 4.687 1.00 61.43 C ATOM 999 C GLU A 63 -5.576 -13.526 5.167 1.00 73.23 C ATOM 1000 O GLU A 63 -5.336 -12.320 5.228 1.00 73.24 O ATOM 1001 CB GLU A 63 -7.741 -14.604 5.871 1.00 62.24 C ATOM 1002 CG GLU A 63 -7.851 -13.656 7.062 1.00 33.11 C ATOM 1003 CD GLU A 63 -8.689 -14.223 8.197 1.00 4.32 C ATOM 1004 OE1 GLU A 63 -8.185 -15.093 8.939 1.00 61.10 O ATOM 1005 OE2 GLU A 63 -9.852 -13.802 8.355 1.00 4.42 O ATOM 0 H GLU A 63 -7.217 -15.940 3.845 1.00 32.02 H new ATOM 0 HA GLU A 63 -7.495 -13.184 4.271 1.00 61.43 H new ATOM 0 HB2 GLU A 63 -8.744 -14.863 5.532 1.00 62.24 H new ATOM 0 HB3 GLU A 63 -7.267 -15.529 6.198 1.00 62.24 H new ATOM 0 HG2 GLU A 63 -6.851 -13.430 7.433 1.00 33.11 H new ATOM 0 HG3 GLU A 63 -8.288 -12.714 6.730 1.00 33.11 H new ATOM 1012 N ALA A 64 -4.683 -14.458 5.486 1.00 44.32 N ATOM 1013 CA ALA A 64 -3.324 -14.121 5.931 1.00 61.31 C ATOM 1014 C ALA A 64 -2.627 -13.150 4.964 1.00 4.20 C ATOM 1015 O ALA A 64 -2.025 -12.159 5.382 1.00 73.41 O ATOM 1016 CB ALA A 64 -2.491 -15.390 6.087 1.00 72.42 C ATOM 0 H ALA A 64 -4.872 -15.459 5.446 1.00 44.32 H new ATOM 0 HA ALA A 64 -3.410 -13.622 6.896 1.00 61.31 H new ATOM 0 HB1 ALA A 64 -1.486 -15.127 6.417 1.00 72.42 H new ATOM 0 HB2 ALA A 64 -2.957 -16.042 6.826 1.00 72.42 H new ATOM 0 HB3 ALA A 64 -2.435 -15.908 5.130 1.00 72.42 H new ATOM 1022 N ASP A 65 -2.725 -13.439 3.666 1.00 24.33 N ATOM 1023 CA ASP A 65 -2.091 -12.609 2.639 1.00 25.53 C ATOM 1024 C ASP A 65 -2.684 -11.192 2.590 1.00 64.42 C ATOM 1025 O ASP A 65 -1.944 -10.202 2.630 1.00 32.22 O ATOM 1026 CB ASP A 65 -2.204 -13.281 1.267 1.00 11.22 C ATOM 1027 CG ASP A 65 -1.380 -14.553 1.184 1.00 33.41 C ATOM 1028 OD1 ASP A 65 -0.143 -14.471 1.339 1.00 1.32 O ATOM 1029 OD2 ASP A 65 -1.954 -15.639 0.974 1.00 22.05 O ATOM 0 H ASP A 65 -3.237 -14.242 3.300 1.00 24.33 H new ATOM 0 HA ASP A 65 -1.039 -12.511 2.906 1.00 25.53 H new ATOM 0 HB2 ASP A 65 -3.249 -13.513 1.062 1.00 11.22 H new ATOM 0 HB3 ASP A 65 -1.875 -12.585 0.495 1.00 11.22 H new ATOM 1034 N ARG A 66 -4.014 -11.087 2.514 1.00 2.32 N ATOM 1035 CA ARG A 66 -4.662 -9.773 2.424 1.00 43.42 C ATOM 1036 C ARG A 66 -4.416 -8.946 3.693 1.00 64.45 C ATOM 1037 O ARG A 66 -4.095 -7.764 3.613 1.00 60.43 O ATOM 1038 CB ARG A 66 -6.173 -9.900 2.141 1.00 23.31 C ATOM 1039 CG ARG A 66 -7.013 -10.442 3.296 1.00 43.32 C ATOM 1040 CD ARG A 66 -8.489 -10.533 2.919 1.00 14.25 C ATOM 1041 NE ARG A 66 -9.331 -10.934 4.045 1.00 72.34 N ATOM 1042 CZ ARG A 66 -10.530 -11.434 3.916 1.00 71.25 C ATOM 1043 NH1 ARG A 66 -11.034 -11.639 2.741 1.00 14.15 N ATOM 1044 NH2 ARG A 66 -11.226 -11.718 4.967 1.00 34.15 N ATOM 0 H ARG A 66 -4.655 -11.881 2.513 1.00 2.32 H new ATOM 0 HA ARG A 66 -4.210 -9.249 1.582 1.00 43.42 H new ATOM 0 HB2 ARG A 66 -6.557 -8.918 1.864 1.00 23.31 H new ATOM 0 HB3 ARG A 66 -6.310 -10.551 1.278 1.00 23.31 H new ATOM 0 HG2 ARG A 66 -6.648 -11.429 3.581 1.00 43.32 H new ATOM 0 HG3 ARG A 66 -6.898 -9.795 4.166 1.00 43.32 H new ATOM 0 HD2 ARG A 66 -8.825 -9.566 2.544 1.00 14.25 H new ATOM 0 HD3 ARG A 66 -8.610 -11.249 2.106 1.00 14.25 H new ATOM 0 HE ARG A 66 -8.959 -10.816 4.988 1.00 72.34 H new ATOM 0 HH11 ARG A 66 -10.493 -11.409 1.907 1.00 14.15 H new ATOM 0 HH12 ARG A 66 -11.972 -12.030 2.649 1.00 14.15 H new ATOM 0 HH21 ARG A 66 -10.838 -11.551 5.896 1.00 34.15 H new ATOM 0 HH22 ARG A 66 -12.163 -12.109 4.868 1.00 34.15 H new ATOM 1058 N ILE A 67 -4.532 -9.576 4.860 1.00 62.13 N ATOM 1059 CA ILE A 67 -4.305 -8.880 6.129 1.00 20.24 C ATOM 1060 C ILE A 67 -2.865 -8.352 6.221 1.00 2.42 C ATOM 1061 O ILE A 67 -2.642 -7.205 6.605 1.00 2.32 O ATOM 1062 CB ILE A 67 -4.603 -9.799 7.345 1.00 44.12 C ATOM 1063 CG1 ILE A 67 -6.085 -10.221 7.355 1.00 32.02 C ATOM 1064 CG2 ILE A 67 -4.231 -9.109 8.661 1.00 30.41 C ATOM 1065 CD1 ILE A 67 -7.058 -9.062 7.445 1.00 1.33 C ATOM 0 H ILE A 67 -4.780 -10.561 4.956 1.00 62.13 H new ATOM 0 HA ILE A 67 -4.994 -8.036 6.156 1.00 20.24 H new ATOM 0 HB ILE A 67 -3.989 -10.694 7.249 1.00 44.12 H new ATOM 0 HG12 ILE A 67 -6.296 -10.789 6.449 1.00 32.02 H new ATOM 0 HG13 ILE A 67 -6.255 -10.891 8.198 1.00 32.02 H new ATOM 0 HG21 ILE A 67 -4.450 -9.775 9.496 1.00 30.41 H new ATOM 0 HG22 ILE A 67 -3.168 -8.869 8.658 1.00 30.41 H new ATOM 0 HG23 ILE A 67 -4.810 -8.192 8.767 1.00 30.41 H new ATOM 0 HD11 ILE A 67 -8.079 -9.443 7.447 1.00 1.33 H new ATOM 0 HD12 ILE A 67 -6.877 -8.506 8.365 1.00 1.33 H new ATOM 0 HD13 ILE A 67 -6.918 -8.402 6.588 1.00 1.33 H new ATOM 1077 N ASN A 68 -1.895 -9.188 5.842 1.00 34.22 N ATOM 1078 CA ASN A 68 -0.479 -8.797 5.859 1.00 75.32 C ATOM 1079 C ASN A 68 -0.242 -7.486 5.088 1.00 44.05 C ATOM 1080 O ASN A 68 0.233 -6.497 5.653 1.00 62.54 O ATOM 1081 CB ASN A 68 0.395 -9.902 5.253 1.00 61.24 C ATOM 1082 CG ASN A 68 1.869 -9.529 5.244 1.00 42.20 C ATOM 1083 OD1 ASN A 68 2.372 -8.905 6.173 1.00 41.11 O ATOM 1084 ND2 ASN A 68 2.566 -9.881 4.184 1.00 32.34 N ATOM 0 H ASN A 68 -2.062 -10.141 5.519 1.00 34.22 H new ATOM 0 HA ASN A 68 -0.203 -8.642 6.902 1.00 75.32 H new ATOM 0 HB2 ASN A 68 0.259 -10.823 5.820 1.00 61.24 H new ATOM 0 HB3 ASN A 68 0.067 -10.104 4.233 1.00 61.24 H new ATOM 0 HD21 ASN A 68 3.554 -9.635 4.118 1.00 32.34 H new ATOM 0 HD22 ASN A 68 2.118 -10.400 3.428 1.00 32.34 H new ATOM 1091 N VAL A 69 -0.585 -7.481 3.798 1.00 44.43 N ATOM 1092 CA VAL A 69 -0.365 -6.307 2.947 1.00 43.02 C ATOM 1093 C VAL A 69 -1.214 -5.103 3.399 1.00 11.14 C ATOM 1094 O VAL A 69 -0.824 -3.950 3.205 1.00 1.54 O ATOM 1095 CB VAL A 69 -0.641 -6.625 1.455 1.00 74.43 C ATOM 1096 CG1 VAL A 69 0.303 -7.725 0.963 1.00 33.51 C ATOM 1097 CG2 VAL A 69 -2.100 -7.025 1.236 1.00 3.21 C ATOM 0 H VAL A 69 -1.015 -8.273 3.320 1.00 44.43 H new ATOM 0 HA VAL A 69 0.686 -6.039 3.053 1.00 43.02 H new ATOM 0 HB VAL A 69 -0.455 -5.721 0.875 1.00 74.43 H new ATOM 0 HG11 VAL A 69 0.098 -7.938 -0.086 1.00 33.51 H new ATOM 0 HG12 VAL A 69 1.336 -7.393 1.071 1.00 33.51 H new ATOM 0 HG13 VAL A 69 0.148 -8.628 1.554 1.00 33.51 H new ATOM 0 HG21 VAL A 69 -2.263 -7.242 0.180 1.00 3.21 H new ATOM 0 HG22 VAL A 69 -2.327 -7.912 1.828 1.00 3.21 H new ATOM 0 HG23 VAL A 69 -2.752 -6.207 1.543 1.00 3.21 H new ATOM 1107 N LEU A 70 -2.363 -5.373 4.019 1.00 64.11 N ATOM 1108 CA LEU A 70 -3.199 -4.307 4.583 1.00 60.44 C ATOM 1109 C LEU A 70 -2.557 -3.698 5.841 1.00 53.32 C ATOM 1110 O LEU A 70 -2.714 -2.506 6.106 1.00 60.44 O ATOM 1111 CB LEU A 70 -4.606 -4.825 4.911 1.00 2.10 C ATOM 1112 CG LEU A 70 -5.483 -5.166 3.693 1.00 25.45 C ATOM 1113 CD1 LEU A 70 -6.833 -5.720 4.139 1.00 33.11 C ATOM 1114 CD2 LEU A 70 -5.664 -3.943 2.795 1.00 20.12 C ATOM 0 H LEU A 70 -2.736 -6.314 4.144 1.00 64.11 H new ATOM 0 HA LEU A 70 -3.281 -3.526 3.827 1.00 60.44 H new ATOM 0 HB2 LEU A 70 -4.511 -5.717 5.531 1.00 2.10 H new ATOM 0 HB3 LEU A 70 -5.121 -4.074 5.510 1.00 2.10 H new ATOM 0 HG LEU A 70 -4.976 -5.937 3.113 1.00 25.45 H new ATOM 0 HD11 LEU A 70 -7.437 -5.955 3.263 1.00 33.11 H new ATOM 0 HD12 LEU A 70 -6.679 -6.625 4.726 1.00 33.11 H new ATOM 0 HD13 LEU A 70 -7.349 -4.977 4.747 1.00 33.11 H new ATOM 0 HD21 LEU A 70 -6.287 -4.208 1.941 1.00 20.12 H new ATOM 0 HD22 LEU A 70 -6.144 -3.144 3.360 1.00 20.12 H new ATOM 0 HD23 LEU A 70 -4.690 -3.603 2.442 1.00 20.12 H new ATOM 1126 N ASN A 71 -1.842 -4.519 6.614 1.00 62.53 N ATOM 1127 CA ASN A 71 -1.137 -4.036 7.813 1.00 0.21 C ATOM 1128 C ASN A 71 -0.050 -3.022 7.437 1.00 65.41 C ATOM 1129 O ASN A 71 -0.027 -1.897 7.939 1.00 55.51 O ATOM 1130 CB ASN A 71 -0.490 -5.206 8.571 1.00 1.53 C ATOM 1131 CG ASN A 71 -1.503 -6.194 9.113 1.00 40.55 C ATOM 1132 OD1 ASN A 71 -1.124 -7.451 9.183 1.00 4.25 O flip ATOM 1133 ND2 ASN A 71 -2.616 -5.833 9.476 1.00 42.21 N flip ATOM 0 H ASN A 71 -1.734 -5.517 6.436 1.00 62.53 H new ATOM 0 HA ASN A 71 -1.874 -3.552 8.454 1.00 0.21 H new ATOM 0 HB2 ASN A 71 0.197 -5.728 7.905 1.00 1.53 H new ATOM 0 HB3 ASN A 71 0.103 -4.813 9.397 1.00 1.53 H new ATOM 0 HD21 ASN A 71 -2.880 -4.850 9.409 1.00 42.21 H new ATOM 0 HD22 ASN A 71 -3.278 -6.515 9.845 1.00 42.21 H new ATOM 1140 N GLN A 72 0.835 -3.427 6.529 1.00 22.21 N ATOM 1141 CA GLN A 72 1.934 -2.569 6.081 1.00 15.13 C ATOM 1142 C GLN A 72 1.406 -1.341 5.321 1.00 3.42 C ATOM 1143 O GLN A 72 1.932 -0.238 5.474 1.00 71.35 O ATOM 1144 CB GLN A 72 2.916 -3.381 5.222 1.00 62.23 C ATOM 1145 CG GLN A 72 2.312 -3.939 3.934 1.00 11.23 C ATOM 1146 CD GLN A 72 3.145 -5.046 3.304 1.00 72.21 C ATOM 1147 OE1 GLN A 72 3.213 -5.170 2.087 1.00 31.03 O ATOM 1148 NE2 GLN A 72 3.743 -5.889 4.123 1.00 34.14 N ATOM 0 H GLN A 72 0.814 -4.346 6.087 1.00 22.21 H new ATOM 0 HA GLN A 72 2.467 -2.199 6.957 1.00 15.13 H new ATOM 0 HB2 GLN A 72 3.766 -2.748 4.967 1.00 62.23 H new ATOM 0 HB3 GLN A 72 3.302 -4.209 5.817 1.00 62.23 H new ATOM 0 HG2 GLN A 72 1.314 -4.322 4.146 1.00 11.23 H new ATOM 0 HG3 GLN A 72 2.196 -3.128 3.215 1.00 11.23 H new ATOM 0 HE21 GLN A 72 3.668 -5.760 5.132 1.00 34.14 H new ATOM 0 HE22 GLN A 72 4.280 -6.670 3.747 1.00 34.14 H new ATOM 1157 N ALA A 73 0.354 -1.532 4.516 1.00 55.13 N ATOM 1158 CA ALA A 73 -0.317 -0.411 3.844 1.00 55.32 C ATOM 1159 C ALA A 73 -0.847 0.606 4.866 1.00 44.12 C ATOM 1160 O ALA A 73 -0.674 1.816 4.704 1.00 44.14 O ATOM 1161 CB ALA A 73 -1.455 -0.919 2.964 1.00 11.22 C ATOM 0 H ALA A 73 -0.050 -2.447 4.314 1.00 55.13 H new ATOM 0 HA ALA A 73 0.416 0.091 3.213 1.00 55.32 H new ATOM 0 HB1 ALA A 73 -1.941 -0.075 2.474 1.00 11.22 H new ATOM 0 HB2 ALA A 73 -1.056 -1.597 2.209 1.00 11.22 H new ATOM 0 HB3 ALA A 73 -2.182 -1.449 3.579 1.00 11.22 H new ATOM 1167 N THR A 74 -1.481 0.102 5.927 1.00 53.22 N ATOM 1168 CA THR A 74 -1.959 0.952 7.026 1.00 21.24 C ATOM 1169 C THR A 74 -0.805 1.744 7.652 1.00 51.52 C ATOM 1170 O THR A 74 -0.935 2.936 7.934 1.00 63.04 O ATOM 1171 CB THR A 74 -2.667 0.117 8.128 1.00 64.21 C ATOM 1172 OG1 THR A 74 -3.854 -0.494 7.598 1.00 41.33 O ATOM 1173 CG2 THR A 74 -3.037 0.978 9.330 1.00 24.23 C ATOM 0 H THR A 74 -1.677 -0.891 6.051 1.00 53.22 H new ATOM 0 HA THR A 74 -2.681 1.647 6.597 1.00 21.24 H new ATOM 0 HB THR A 74 -1.969 -0.653 8.458 1.00 64.21 H new ATOM 0 HG1 THR A 74 -3.605 -1.240 7.014 1.00 41.33 H new ATOM 0 HG21 THR A 74 -3.530 0.361 10.081 1.00 24.23 H new ATOM 0 HG22 THR A 74 -2.134 1.416 9.756 1.00 24.23 H new ATOM 0 HG23 THR A 74 -3.711 1.774 9.014 1.00 24.23 H new ATOM 1181 N GLU A 75 0.333 1.081 7.852 1.00 42.30 N ATOM 1182 CA GLU A 75 1.517 1.741 8.408 1.00 22.52 C ATOM 1183 C GLU A 75 2.037 2.847 7.474 1.00 44.04 C ATOM 1184 O GLU A 75 2.452 3.907 7.937 1.00 62.11 O ATOM 1185 CB GLU A 75 2.629 0.724 8.692 1.00 53.04 C ATOM 1186 CG GLU A 75 2.245 -0.337 9.717 1.00 54.30 C ATOM 1187 CD GLU A 75 3.438 -1.149 10.196 1.00 13.23 C ATOM 1188 OE1 GLU A 75 4.184 -0.645 11.064 1.00 1.53 O ATOM 1189 OE2 GLU A 75 3.635 -2.285 9.722 1.00 13.51 O ATOM 0 H GLU A 75 0.462 0.092 7.639 1.00 42.30 H new ATOM 0 HA GLU A 75 1.218 2.204 9.348 1.00 22.52 H new ATOM 0 HB2 GLU A 75 2.905 0.232 7.760 1.00 53.04 H new ATOM 0 HB3 GLU A 75 3.513 1.255 9.046 1.00 53.04 H new ATOM 0 HG2 GLU A 75 1.771 0.145 10.572 1.00 54.30 H new ATOM 0 HG3 GLU A 75 1.506 -1.008 9.280 1.00 54.30 H new ATOM 1196 N VAL A 76 2.014 2.597 6.164 1.00 13.30 N ATOM 1197 CA VAL A 76 2.406 3.615 5.178 1.00 2.33 C ATOM 1198 C VAL A 76 1.472 4.836 5.240 1.00 13.00 C ATOM 1199 O VAL A 76 1.921 5.984 5.218 1.00 14.43 O ATOM 1200 CB VAL A 76 2.403 3.048 3.734 1.00 11.21 C ATOM 1201 CG1 VAL A 76 2.754 4.136 2.718 1.00 12.31 C ATOM 1202 CG2 VAL A 76 3.364 1.864 3.609 1.00 22.34 C ATOM 0 H VAL A 76 1.730 1.705 5.759 1.00 13.30 H new ATOM 0 HA VAL A 76 3.421 3.921 5.433 1.00 2.33 H new ATOM 0 HB VAL A 76 1.396 2.693 3.517 1.00 11.21 H new ATOM 0 HG11 VAL A 76 2.745 3.713 1.714 1.00 12.31 H new ATOM 0 HG12 VAL A 76 2.021 4.941 2.779 1.00 12.31 H new ATOM 0 HG13 VAL A 76 3.746 4.531 2.936 1.00 12.31 H new ATOM 0 HG21 VAL A 76 3.343 1.485 2.587 1.00 22.34 H new ATOM 0 HG22 VAL A 76 4.375 2.188 3.855 1.00 22.34 H new ATOM 0 HG23 VAL A 76 3.059 1.074 4.295 1.00 22.34 H new ATOM 1212 N ILE A 77 0.170 4.577 5.327 1.00 14.33 N ATOM 1213 CA ILE A 77 -0.832 5.643 5.416 1.00 61.12 C ATOM 1214 C ILE A 77 -0.678 6.454 6.717 1.00 43.15 C ATOM 1215 O ILE A 77 -0.718 7.686 6.702 1.00 32.05 O ATOM 1216 CB ILE A 77 -2.263 5.061 5.322 1.00 20.13 C ATOM 1217 CG1 ILE A 77 -2.463 4.353 3.968 1.00 21.03 C ATOM 1218 CG2 ILE A 77 -3.312 6.153 5.518 1.00 21.25 C ATOM 1219 CD1 ILE A 77 -3.840 3.748 3.784 1.00 15.15 C ATOM 0 H ILE A 77 -0.220 3.635 5.338 1.00 14.33 H new ATOM 0 HA ILE A 77 -0.668 6.315 4.574 1.00 61.12 H new ATOM 0 HB ILE A 77 -2.388 4.329 6.120 1.00 20.13 H new ATOM 0 HG12 ILE A 77 -2.282 5.068 3.166 1.00 21.03 H new ATOM 0 HG13 ILE A 77 -1.716 3.566 3.868 1.00 21.03 H new ATOM 0 HG21 ILE A 77 -4.309 5.717 5.447 1.00 21.25 H new ATOM 0 HG22 ILE A 77 -3.184 6.608 6.500 1.00 21.25 H new ATOM 0 HG23 ILE A 77 -3.193 6.914 4.747 1.00 21.25 H new ATOM 0 HD11 ILE A 77 -3.899 3.269 2.807 1.00 15.15 H new ATOM 0 HD12 ILE A 77 -4.019 3.007 4.563 1.00 15.15 H new ATOM 0 HD13 ILE A 77 -4.594 4.533 3.850 1.00 15.15 H new ATOM 1231 N ASN A 78 -0.493 5.757 7.839 1.00 63.12 N ATOM 1232 CA ASN A 78 -0.259 6.418 9.132 1.00 5.33 C ATOM 1233 C ASN A 78 1.071 7.185 9.132 1.00 24.10 C ATOM 1234 O ASN A 78 1.173 8.274 9.697 1.00 74.15 O ATOM 1235 CB ASN A 78 -0.269 5.393 10.272 1.00 0.43 C ATOM 1236 CG ASN A 78 -1.646 4.792 10.497 1.00 43.41 C ATOM 1237 OD1 ASN A 78 -2.662 5.431 10.252 1.00 30.21 O ATOM 1238 ND2 ASN A 78 -1.697 3.563 10.972 1.00 51.43 N ATOM 0 H ASN A 78 -0.500 4.738 7.883 1.00 63.12 H new ATOM 0 HA ASN A 78 -1.068 7.132 9.288 1.00 5.33 H new ATOM 0 HB2 ASN A 78 0.440 4.596 10.047 1.00 0.43 H new ATOM 0 HB3 ASN A 78 0.070 5.872 11.191 1.00 0.43 H new ATOM 0 HD21 ASN A 78 -2.599 3.120 11.145 1.00 51.43 H new ATOM 0 HD22 ASN A 78 -0.834 3.055 11.167 1.00 51.43 H new ATOM 1245 N PHE A 79 2.088 6.605 8.500 1.00 40.50 N ATOM 1246 CA PHE A 79 3.389 7.262 8.342 1.00 42.02 C ATOM 1247 C PHE A 79 3.232 8.582 7.570 1.00 53.11 C ATOM 1248 O PHE A 79 3.706 9.631 8.001 1.00 63.41 O ATOM 1249 CB PHE A 79 4.356 6.321 7.605 1.00 72.51 C ATOM 1250 CG PHE A 79 5.762 6.852 7.460 1.00 14.00 C ATOM 1251 CD1 PHE A 79 6.645 6.816 8.529 1.00 1.14 C ATOM 1252 CD2 PHE A 79 6.201 7.380 6.253 1.00 43.25 C ATOM 1253 CE1 PHE A 79 7.934 7.296 8.399 1.00 3.31 C ATOM 1254 CE2 PHE A 79 7.490 7.861 6.119 1.00 12.13 C ATOM 1255 CZ PHE A 79 8.358 7.819 7.194 1.00 75.24 C ATOM 0 H PHE A 79 2.038 5.675 8.085 1.00 40.50 H new ATOM 0 HA PHE A 79 3.796 7.489 9.327 1.00 42.02 H new ATOM 0 HB2 PHE A 79 4.394 5.371 8.137 1.00 72.51 H new ATOM 0 HB3 PHE A 79 3.956 6.115 6.612 1.00 72.51 H new ATOM 0 HD1 PHE A 79 6.321 6.408 9.475 1.00 1.14 H new ATOM 0 HD2 PHE A 79 5.528 7.415 5.409 1.00 43.25 H new ATOM 0 HE1 PHE A 79 8.610 7.262 9.240 1.00 3.31 H new ATOM 0 HE2 PHE A 79 7.819 8.269 5.175 1.00 12.13 H new ATOM 0 HZ PHE A 79 9.365 8.194 7.091 1.00 75.24 H new ATOM 1265 N TRP A 80 2.539 8.511 6.435 1.00 14.31 N ATOM 1266 CA TRP A 80 2.267 9.689 5.602 1.00 63.34 C ATOM 1267 C TRP A 80 1.468 10.757 6.374 1.00 41.30 C ATOM 1268 O TRP A 80 1.854 11.928 6.413 1.00 45.21 O ATOM 1269 CB TRP A 80 1.496 9.262 4.347 1.00 1.33 C ATOM 1270 CG TRP A 80 1.118 10.407 3.455 1.00 35.03 C ATOM 1271 CD1 TRP A 80 1.872 10.958 2.460 1.00 73.14 C ATOM 1272 CD2 TRP A 80 -0.110 11.145 3.485 1.00 5.30 C ATOM 1273 NE1 TRP A 80 1.188 11.989 1.869 1.00 32.31 N ATOM 1274 CE2 TRP A 80 -0.031 12.122 2.480 1.00 3.01 C ATOM 1275 CE3 TRP A 80 -1.270 11.071 4.263 1.00 3.44 C ATOM 1276 CZ2 TRP A 80 -1.063 13.017 2.234 1.00 70.42 C ATOM 1277 CZ3 TRP A 80 -2.295 11.962 4.018 1.00 42.50 C ATOM 1278 CH2 TRP A 80 -2.186 12.923 3.009 1.00 33.35 C ATOM 0 H TRP A 80 2.151 7.643 6.066 1.00 14.31 H new ATOM 0 HA TRP A 80 3.221 10.132 5.317 1.00 63.34 H new ATOM 0 HB2 TRP A 80 2.103 8.556 3.780 1.00 1.33 H new ATOM 0 HB3 TRP A 80 0.592 8.734 4.649 1.00 1.33 H new ATOM 0 HD1 TRP A 80 2.862 10.630 2.179 1.00 73.14 H new ATOM 0 HE1 TRP A 80 1.531 12.564 1.099 1.00 32.31 H new ATOM 0 HE3 TRP A 80 -1.362 10.329 5.042 1.00 3.44 H new ATOM 0 HZ2 TRP A 80 -0.982 13.763 1.457 1.00 70.42 H new ATOM 0 HZ3 TRP A 80 -3.194 11.916 4.614 1.00 42.50 H new ATOM 0 HH2 TRP A 80 -3.005 13.605 2.838 1.00 33.35 H new ATOM 1289 N GLN A 81 0.348 10.348 6.977 1.00 74.32 N ATOM 1290 CA GLN A 81 -0.488 11.262 7.770 1.00 23.53 C ATOM 1291 C GLN A 81 0.340 11.943 8.874 1.00 74.14 C ATOM 1292 O GLN A 81 0.215 13.147 9.117 1.00 3.32 O ATOM 1293 CB GLN A 81 -1.677 10.493 8.380 1.00 10.23 C ATOM 1294 CG GLN A 81 -2.608 11.343 9.245 1.00 71.44 C ATOM 1295 CD GLN A 81 -3.401 12.362 8.439 1.00 3.15 C ATOM 1296 OE1 GLN A 81 -2.968 13.491 8.233 1.00 51.11 O ATOM 1297 NE2 GLN A 81 -4.573 11.972 7.976 1.00 54.32 N ATOM 0 H GLN A 81 -0.003 9.391 6.933 1.00 74.32 H new ATOM 0 HA GLN A 81 -0.873 12.040 7.111 1.00 23.53 H new ATOM 0 HB2 GLN A 81 -2.258 10.049 7.572 1.00 10.23 H new ATOM 0 HB3 GLN A 81 -1.290 9.672 8.984 1.00 10.23 H new ATOM 0 HG2 GLN A 81 -3.300 10.689 9.776 1.00 71.44 H new ATOM 0 HG3 GLN A 81 -2.019 11.864 10.000 1.00 71.44 H new ATOM 0 HE21 GLN A 81 -4.907 11.027 8.164 1.00 54.32 H new ATOM 0 HE22 GLN A 81 -5.146 12.616 7.430 1.00 54.32 H new ATOM 1306 N ASP A 82 1.200 11.160 9.517 1.00 70.12 N ATOM 1307 CA ASP A 82 2.115 11.663 10.543 1.00 14.24 C ATOM 1308 C ASP A 82 2.998 12.804 9.990 1.00 21.10 C ATOM 1309 O ASP A 82 3.230 13.822 10.659 1.00 3.42 O ATOM 1310 CB ASP A 82 2.983 10.497 11.039 1.00 70.34 C ATOM 1311 CG ASP A 82 3.903 10.875 12.182 1.00 71.33 C ATOM 1312 OD1 ASP A 82 3.436 10.901 13.340 1.00 74.11 O ATOM 1313 OD2 ASP A 82 5.098 11.141 11.930 1.00 72.42 O ATOM 0 H ASP A 82 1.285 10.158 9.344 1.00 70.12 H new ATOM 0 HA ASP A 82 1.539 12.073 11.372 1.00 14.24 H new ATOM 0 HB2 ASP A 82 2.334 9.682 11.359 1.00 70.34 H new ATOM 0 HB3 ASP A 82 3.582 10.121 10.209 1.00 70.34 H new ATOM 1318 N LEU A 83 3.467 12.632 8.754 1.00 62.33 N ATOM 1319 CA LEU A 83 4.314 13.633 8.090 1.00 44.53 C ATOM 1320 C LEU A 83 3.522 14.896 7.714 1.00 42.03 C ATOM 1321 O LEU A 83 3.988 16.012 7.937 1.00 15.50 O ATOM 1322 CB LEU A 83 4.951 13.039 6.828 1.00 22.34 C ATOM 1323 CG LEU A 83 5.717 11.723 7.030 1.00 21.13 C ATOM 1324 CD1 LEU A 83 6.317 11.246 5.716 1.00 64.11 C ATOM 1325 CD2 LEU A 83 6.794 11.872 8.101 1.00 73.02 C ATOM 0 H LEU A 83 3.276 11.806 8.187 1.00 62.33 H new ATOM 0 HA LEU A 83 5.092 13.917 8.799 1.00 44.53 H new ATOM 0 HB2 LEU A 83 4.166 12.873 6.090 1.00 22.34 H new ATOM 0 HB3 LEU A 83 5.634 13.776 6.406 1.00 22.34 H new ATOM 0 HG LEU A 83 5.009 10.969 7.375 1.00 21.13 H new ATOM 0 HD11 LEU A 83 6.856 10.313 5.880 1.00 64.11 H new ATOM 0 HD12 LEU A 83 5.520 11.083 4.990 1.00 64.11 H new ATOM 0 HD13 LEU A 83 7.006 12.000 5.335 1.00 64.11 H new ATOM 0 HD21 LEU A 83 7.320 10.925 8.222 1.00 73.02 H new ATOM 0 HD22 LEU A 83 7.502 12.644 7.800 1.00 73.02 H new ATOM 0 HD23 LEU A 83 6.330 12.153 9.046 1.00 73.02 H new ATOM 1337 N LYS A 84 2.328 14.710 7.145 1.00 44.21 N ATOM 1338 CA LYS A 84 1.478 15.831 6.705 1.00 24.00 C ATOM 1339 C LYS A 84 1.175 16.815 7.853 1.00 33.33 C ATOM 1340 O LYS A 84 1.114 18.029 7.644 1.00 21.13 O ATOM 1341 CB LYS A 84 0.161 15.292 6.112 1.00 33.21 C ATOM 1342 CG LYS A 84 -0.825 16.378 5.672 1.00 54.33 C ATOM 1343 CD LYS A 84 -0.311 17.195 4.483 1.00 41.31 C ATOM 1344 CE LYS A 84 -0.359 16.407 3.172 1.00 23.12 C ATOM 1345 NZ LYS A 84 -1.758 16.106 2.748 1.00 40.34 N ATOM 0 H LYS A 84 1.922 13.790 6.975 1.00 44.21 H new ATOM 0 HA LYS A 84 2.029 16.379 5.941 1.00 24.00 H new ATOM 0 HB2 LYS A 84 0.394 14.661 5.254 1.00 33.21 H new ATOM 0 HB3 LYS A 84 -0.324 14.657 6.853 1.00 33.21 H new ATOM 0 HG2 LYS A 84 -1.775 15.914 5.406 1.00 54.33 H new ATOM 0 HG3 LYS A 84 -1.020 17.047 6.510 1.00 54.33 H new ATOM 0 HD2 LYS A 84 -0.909 18.101 4.382 1.00 41.31 H new ATOM 0 HD3 LYS A 84 0.714 17.510 4.678 1.00 41.31 H new ATOM 0 HE2 LYS A 84 0.142 16.976 2.389 1.00 23.12 H new ATOM 0 HE3 LYS A 84 0.192 15.474 3.290 1.00 23.12 H new ATOM 0 HZ1 LYS A 84 -1.935 15.085 2.836 1.00 40.34 H new ATOM 0 HZ2 LYS A 84 -2.424 16.626 3.354 1.00 40.34 H new ATOM 0 HZ3 LYS A 84 -1.891 16.397 1.758 1.00 40.34 H new ATOM 1359 N ASN A 85 0.988 16.287 9.063 1.00 44.35 N ATOM 1360 CA ASN A 85 0.685 17.126 10.232 1.00 60.05 C ATOM 1361 C ASN A 85 1.940 17.797 10.820 1.00 63.13 C ATOM 1362 O ASN A 85 1.882 18.945 11.264 1.00 50.31 O ATOM 1363 CB ASN A 85 -0.022 16.302 11.318 1.00 62.40 C ATOM 1364 CG ASN A 85 -1.446 15.945 10.930 1.00 45.41 C ATOM 1365 OD1 ASN A 85 -2.382 16.689 11.202 1.00 34.01 O ATOM 1366 ND2 ASN A 85 -1.625 14.805 10.299 1.00 4.32 N ATOM 0 H ASN A 85 1.040 15.288 9.263 1.00 44.35 H new ATOM 0 HA ASN A 85 0.023 17.919 9.885 1.00 60.05 H new ATOM 0 HB2 ASN A 85 0.542 15.388 11.504 1.00 62.40 H new ATOM 0 HB3 ASN A 85 -0.032 16.866 12.251 1.00 62.40 H new ATOM 0 HD21 ASN A 85 -2.563 14.518 10.021 1.00 4.32 H new ATOM 0 HD22 ASN A 85 -0.825 14.208 10.087 1.00 4.32 H new ATOM 1373 N GLN A 86 3.070 17.085 10.837 1.00 33.54 N ATOM 1374 CA GLN A 86 4.308 17.624 11.434 1.00 34.33 C ATOM 1375 C GLN A 86 5.202 18.355 10.413 1.00 51.14 C ATOM 1376 O GLN A 86 6.133 19.064 10.801 1.00 34.24 O ATOM 1377 CB GLN A 86 5.107 16.495 12.095 1.00 13.34 C ATOM 1378 CG GLN A 86 4.376 15.817 13.246 1.00 44.30 C ATOM 1379 CD GLN A 86 5.170 14.663 13.826 1.00 25.32 C ATOM 1380 OE1 GLN A 86 4.997 13.492 13.256 1.00 62.34 O flip ATOM 1381 NE2 GLN A 86 5.952 14.827 14.757 1.00 32.13 N flip ATOM 0 H GLN A 86 3.160 16.145 10.451 1.00 33.54 H new ATOM 0 HA GLN A 86 4.000 18.359 12.178 1.00 34.33 H new ATOM 0 HB2 GLN A 86 5.352 15.747 11.341 1.00 13.34 H new ATOM 0 HB3 GLN A 86 6.051 16.898 12.463 1.00 13.34 H new ATOM 0 HG2 GLN A 86 4.176 16.549 14.029 1.00 44.30 H new ATOM 0 HG3 GLN A 86 3.410 15.452 12.897 1.00 44.30 H new ATOM 0 HE21 GLN A 86 6.060 15.751 15.175 1.00 32.13 H new ATOM 0 HE22 GLN A 86 6.494 14.039 15.113 1.00 32.13 H new ATOM 1390 N ASN A 87 4.924 18.176 9.121 1.00 4.42 N ATOM 1391 CA ASN A 87 5.747 18.768 8.049 1.00 4.12 C ATOM 1392 C ASN A 87 7.219 18.325 8.156 1.00 0.52 C ATOM 1393 O ASN A 87 8.132 19.112 7.920 1.00 63.43 O ATOM 1394 CB ASN A 87 5.648 20.302 8.084 1.00 75.24 C ATOM 1395 CG ASN A 87 4.245 20.796 7.793 1.00 55.25 C ATOM 1396 OD1 ASN A 87 3.427 20.962 8.694 1.00 64.44 O ATOM 1397 ND2 ASN A 87 3.953 21.033 6.533 1.00 23.22 N ATOM 0 H ASN A 87 4.134 17.625 8.784 1.00 4.42 H new ATOM 0 HA ASN A 87 5.359 18.408 7.096 1.00 4.12 H new ATOM 0 HB2 ASN A 87 5.961 20.662 9.064 1.00 75.24 H new ATOM 0 HB3 ASN A 87 6.338 20.725 7.354 1.00 75.24 H new ATOM 0 HD21 ASN A 87 3.023 21.365 6.279 1.00 23.22 H new ATOM 0 HD22 ASN A 87 4.657 20.884 5.810 1.00 23.22 H new ATOM 1404 N LYS A 88 7.435 17.048 8.481 1.00 64.35 N ATOM 1405 CA LYS A 88 8.791 16.505 8.690 1.00 33.55 C ATOM 1406 C LYS A 88 9.715 16.674 7.466 1.00 54.01 C ATOM 1407 O LYS A 88 10.935 16.729 7.616 1.00 31.23 O ATOM 1408 CB LYS A 88 8.709 15.023 9.088 1.00 4.33 C ATOM 1409 CG LYS A 88 8.364 14.796 10.560 1.00 45.23 C ATOM 1410 CD LYS A 88 8.174 13.312 10.876 1.00 32.30 C ATOM 1411 CE LYS A 88 8.182 13.035 12.375 1.00 22.54 C ATOM 1412 NZ LYS A 88 9.527 13.247 12.970 1.00 63.33 N ATOM 0 H LYS A 88 6.689 16.364 8.607 1.00 64.35 H new ATOM 0 HA LYS A 88 9.237 17.086 9.497 1.00 33.55 H new ATOM 0 HB2 LYS A 88 7.958 14.531 8.469 1.00 4.33 H new ATOM 0 HB3 LYS A 88 9.664 14.545 8.871 1.00 4.33 H new ATOM 0 HG2 LYS A 88 9.158 15.202 11.186 1.00 45.23 H new ATOM 0 HG3 LYS A 88 7.453 15.340 10.808 1.00 45.23 H new ATOM 0 HD2 LYS A 88 7.231 12.970 10.450 1.00 32.30 H new ATOM 0 HD3 LYS A 88 8.967 12.736 10.398 1.00 32.30 H new ATOM 0 HE2 LYS A 88 7.460 13.686 12.868 1.00 22.54 H new ATOM 0 HE3 LYS A 88 7.862 12.009 12.556 1.00 22.54 H new ATOM 0 HZ1 LYS A 88 9.566 12.799 13.908 1.00 63.33 H new ATOM 0 HZ2 LYS A 88 10.250 12.824 12.354 1.00 63.33 H new ATOM 0 HZ3 LYS A 88 9.708 14.267 13.065 1.00 63.33 H new ATOM 1426 N GLN A 89 9.137 16.745 6.263 1.00 14.11 N ATOM 1427 CA GLN A 89 9.918 16.954 5.024 1.00 61.30 C ATOM 1428 C GLN A 89 10.968 15.846 4.790 1.00 31.32 C ATOM 1429 O GLN A 89 11.968 16.069 4.105 1.00 3.41 O ATOM 1430 CB GLN A 89 10.622 18.324 5.061 1.00 23.51 C ATOM 1431 CG GLN A 89 9.677 19.513 5.176 1.00 63.21 C ATOM 1432 CD GLN A 89 10.413 20.834 5.318 1.00 22.31 C ATOM 1433 OE1 GLN A 89 11.520 20.898 5.850 1.00 34.43 O ATOM 1434 NE2 GLN A 89 9.806 21.900 4.848 1.00 2.25 N ATOM 0 H GLN A 89 8.132 16.662 6.113 1.00 14.11 H new ATOM 0 HA GLN A 89 9.209 16.919 4.197 1.00 61.30 H new ATOM 0 HB2 GLN A 89 11.313 18.341 5.904 1.00 23.51 H new ATOM 0 HB3 GLN A 89 11.220 18.436 4.157 1.00 23.51 H new ATOM 0 HG2 GLN A 89 9.038 19.551 4.294 1.00 63.21 H new ATOM 0 HG3 GLN A 89 9.024 19.371 6.037 1.00 63.21 H new ATOM 0 HE21 GLN A 89 8.888 21.814 4.412 1.00 2.25 H new ATOM 0 HE22 GLN A 89 10.253 22.814 4.919 1.00 2.25 H new ATOM 1443 N ILE A 90 10.730 14.654 5.336 1.00 43.45 N ATOM 1444 CA ILE A 90 11.695 13.547 5.229 1.00 13.13 C ATOM 1445 C ILE A 90 11.887 13.060 3.778 1.00 24.14 C ATOM 1446 O ILE A 90 11.105 13.387 2.881 1.00 21.13 O ATOM 1447 CB ILE A 90 11.303 12.352 6.149 1.00 4.10 C ATOM 1448 CG1 ILE A 90 9.881 11.826 5.848 1.00 43.53 C ATOM 1449 CG2 ILE A 90 11.416 12.761 7.618 1.00 53.32 C ATOM 1450 CD1 ILE A 90 9.787 10.889 4.659 1.00 73.21 C ATOM 0 H ILE A 90 9.883 14.425 5.856 1.00 43.45 H new ATOM 0 HA ILE A 90 12.649 13.950 5.568 1.00 13.13 H new ATOM 0 HB ILE A 90 11.999 11.539 5.943 1.00 4.10 H new ATOM 0 HG12 ILE A 90 9.506 11.308 6.731 1.00 43.53 H new ATOM 0 HG13 ILE A 90 9.223 12.678 5.674 1.00 43.53 H new ATOM 0 HG21 ILE A 90 11.140 11.919 8.252 1.00 53.32 H new ATOM 0 HG22 ILE A 90 12.442 13.058 7.835 1.00 53.32 H new ATOM 0 HG23 ILE A 90 10.747 13.598 7.815 1.00 53.32 H new ATOM 0 HD11 ILE A 90 8.752 10.573 4.526 1.00 73.21 H new ATOM 0 HD12 ILE A 90 10.127 11.405 3.761 1.00 73.21 H new ATOM 0 HD13 ILE A 90 10.414 10.015 4.834 1.00 73.21 H new ATOM 1462 N SER A 91 12.935 12.268 3.563 1.00 44.30 N ATOM 1463 CA SER A 91 13.270 11.762 2.223 1.00 23.10 C ATOM 1464 C SER A 91 12.630 10.397 1.935 1.00 73.23 C ATOM 1465 O SER A 91 12.341 9.621 2.850 1.00 53.35 O ATOM 1466 CB SER A 91 14.792 11.649 2.055 1.00 2.43 C ATOM 1467 OG SER A 91 15.129 11.058 0.806 1.00 11.13 O ATOM 0 H SER A 91 13.571 11.959 4.298 1.00 44.30 H new ATOM 0 HA SER A 91 12.867 12.481 1.510 1.00 23.10 H new ATOM 0 HB2 SER A 91 15.243 12.639 2.125 1.00 2.43 H new ATOM 0 HB3 SER A 91 15.207 11.051 2.867 1.00 2.43 H new ATOM 0 HG SER A 91 16.104 11.000 0.724 1.00 11.13 H new ATOM 1473 N MET A 92 12.432 10.110 0.648 1.00 5.54 N ATOM 1474 CA MET A 92 11.904 8.817 0.187 1.00 42.11 C ATOM 1475 C MET A 92 12.723 7.642 0.755 1.00 42.45 C ATOM 1476 O MET A 92 12.168 6.605 1.131 1.00 55.51 O ATOM 1477 CB MET A 92 11.901 8.802 -1.356 1.00 60.14 C ATOM 1478 CG MET A 92 11.536 7.470 -2.000 1.00 30.13 C ATOM 1479 SD MET A 92 12.875 6.263 -1.903 1.00 13.35 S ATOM 1480 CE MET A 92 12.293 5.018 -3.051 1.00 3.54 C ATOM 0 H MET A 92 12.632 10.765 -0.108 1.00 5.54 H new ATOM 0 HA MET A 92 10.884 8.694 0.552 1.00 42.11 H new ATOM 0 HB2 MET A 92 11.200 9.559 -1.708 1.00 60.14 H new ATOM 0 HB3 MET A 92 12.890 9.096 -1.706 1.00 60.14 H new ATOM 0 HG2 MET A 92 10.650 7.065 -1.511 1.00 30.13 H new ATOM 0 HG3 MET A 92 11.276 7.635 -3.045 1.00 30.13 H new ATOM 0 HE1 MET A 92 12.004 4.123 -2.501 1.00 3.54 H new ATOM 0 HE2 MET A 92 11.432 5.402 -3.598 1.00 3.54 H new ATOM 0 HE3 MET A 92 13.089 4.771 -3.754 1.00 3.54 H new ATOM 1490 N ALA A 93 14.043 7.827 0.844 1.00 24.13 N ATOM 1491 CA ALA A 93 14.940 6.801 1.390 1.00 12.11 C ATOM 1492 C ALA A 93 14.603 6.471 2.853 1.00 35.53 C ATOM 1493 O ALA A 93 14.657 5.313 3.271 1.00 44.44 O ATOM 1494 CB ALA A 93 16.390 7.256 1.273 1.00 21.43 C ATOM 0 H ALA A 93 14.516 8.679 0.545 1.00 24.13 H new ATOM 0 HA ALA A 93 14.799 5.892 0.806 1.00 12.11 H new ATOM 0 HB1 ALA A 93 17.047 6.487 1.681 1.00 21.43 H new ATOM 0 HB2 ALA A 93 16.635 7.423 0.224 1.00 21.43 H new ATOM 0 HB3 ALA A 93 16.527 8.183 1.830 1.00 21.43 H new ATOM 1500 N GLU A 94 14.238 7.496 3.623 1.00 12.54 N ATOM 1501 CA GLU A 94 13.874 7.315 5.034 1.00 31.43 C ATOM 1502 C GLU A 94 12.605 6.458 5.177 1.00 41.33 C ATOM 1503 O GLU A 94 12.462 5.686 6.130 1.00 34.43 O ATOM 1504 CB GLU A 94 13.680 8.680 5.710 1.00 51.22 C ATOM 1505 CG GLU A 94 14.919 9.572 5.643 1.00 40.31 C ATOM 1506 CD GLU A 94 14.763 10.869 6.419 1.00 23.00 C ATOM 1507 OE1 GLU A 94 14.666 10.811 7.663 1.00 1.35 O ATOM 1508 OE2 GLU A 94 14.757 11.951 5.794 1.00 11.40 O ATOM 0 H GLU A 94 14.186 8.461 3.297 1.00 12.54 H new ATOM 0 HA GLU A 94 14.689 6.788 5.530 1.00 31.43 H new ATOM 0 HB2 GLU A 94 12.844 9.196 5.237 1.00 51.22 H new ATOM 0 HB3 GLU A 94 13.409 8.525 6.754 1.00 51.22 H new ATOM 0 HG2 GLU A 94 15.776 9.023 6.033 1.00 40.31 H new ATOM 0 HG3 GLU A 94 15.137 9.803 4.600 1.00 40.31 H new ATOM 1515 N ALA A 95 11.687 6.597 4.223 1.00 70.22 N ATOM 1516 CA ALA A 95 10.497 5.741 4.165 1.00 22.31 C ATOM 1517 C ALA A 95 10.880 4.298 3.798 1.00 25.40 C ATOM 1518 O ALA A 95 10.325 3.334 4.331 1.00 54.30 O ATOM 1519 CB ALA A 95 9.489 6.304 3.169 1.00 21.35 C ATOM 0 H ALA A 95 11.741 7.293 3.479 1.00 70.22 H new ATOM 0 HA ALA A 95 10.035 5.725 5.152 1.00 22.31 H new ATOM 0 HB1 ALA A 95 8.611 5.659 3.136 1.00 21.35 H new ATOM 0 HB2 ALA A 95 9.192 7.306 3.479 1.00 21.35 H new ATOM 0 HB3 ALA A 95 9.943 6.350 2.179 1.00 21.35 H new ATOM 1525 N GLN A 96 11.845 4.158 2.887 1.00 72.00 N ATOM 1526 CA GLN A 96 12.376 2.841 2.507 1.00 62.10 C ATOM 1527 C GLN A 96 13.058 2.142 3.692 1.00 10.34 C ATOM 1528 O GLN A 96 13.032 0.915 3.798 1.00 10.21 O ATOM 1529 CB GLN A 96 13.361 2.988 1.339 1.00 53.31 C ATOM 1530 CG GLN A 96 12.686 3.297 0.010 1.00 63.14 C ATOM 1531 CD GLN A 96 11.935 2.101 -0.549 1.00 21.21 C ATOM 1532 OE1 GLN A 96 10.702 1.923 -0.130 1.00 55.11 O flip ATOM 1533 NE2 GLN A 96 12.471 1.330 -1.338 1.00 4.25 N flip ATOM 0 H GLN A 96 12.278 4.940 2.396 1.00 72.00 H new ATOM 0 HA GLN A 96 11.537 2.220 2.195 1.00 62.10 H new ATOM 0 HB2 GLN A 96 14.070 3.782 1.570 1.00 53.31 H new ATOM 0 HB3 GLN A 96 13.935 2.067 1.240 1.00 53.31 H new ATOM 0 HG2 GLN A 96 11.993 4.128 0.142 1.00 63.14 H new ATOM 0 HG3 GLN A 96 13.438 3.620 -0.710 1.00 63.14 H new ATOM 0 HE21 GLN A 96 13.430 1.497 -1.643 1.00 4.25 H new ATOM 0 HE22 GLN A 96 11.958 0.521 -1.689 1.00 4.25 H new ATOM 1542 N GLY A 97 13.669 2.929 4.574 1.00 44.10 N ATOM 1543 CA GLY A 97 14.252 2.378 5.793 1.00 32.45 C ATOM 1544 C GLY A 97 13.199 1.820 6.749 1.00 32.52 C ATOM 1545 O GLY A 97 13.505 1.000 7.617 1.00 20.01 O ATOM 0 H GLY A 97 13.772 3.938 4.469 1.00 44.10 H new ATOM 0 HA2 GLY A 97 14.954 1.587 5.530 1.00 32.45 H new ATOM 0 HA3 GLY A 97 14.823 3.155 6.301 1.00 32.45 H new ATOM 1549 N LYS A 98 11.955 2.270 6.588 1.00 74.21 N ATOM 1550 CA LYS A 98 10.843 1.803 7.424 1.00 72.22 C ATOM 1551 C LYS A 98 10.129 0.603 6.767 1.00 53.11 C ATOM 1552 O LYS A 98 9.753 -0.359 7.443 1.00 53.33 O ATOM 1553 CB LYS A 98 9.850 2.961 7.657 1.00 0.14 C ATOM 1554 CG LYS A 98 9.082 2.901 8.982 1.00 64.24 C ATOM 1555 CD LYS A 98 8.217 1.652 9.104 1.00 44.45 C ATOM 1556 CE LYS A 98 7.401 1.647 10.388 1.00 51.21 C ATOM 1557 NZ LYS A 98 6.657 0.371 10.561 1.00 62.24 N ATOM 0 H LYS A 98 11.689 2.959 5.885 1.00 74.21 H new ATOM 0 HA LYS A 98 11.239 1.472 8.384 1.00 72.22 H new ATOM 0 HB2 LYS A 98 10.397 3.903 7.614 1.00 0.14 H new ATOM 0 HB3 LYS A 98 9.131 2.973 6.838 1.00 0.14 H new ATOM 0 HG2 LYS A 98 9.791 2.930 9.810 1.00 64.24 H new ATOM 0 HG3 LYS A 98 8.451 3.785 9.072 1.00 64.24 H new ATOM 0 HD2 LYS A 98 7.546 1.591 8.248 1.00 44.45 H new ATOM 0 HD3 LYS A 98 8.852 0.767 9.075 1.00 44.45 H new ATOM 0 HE2 LYS A 98 8.063 1.801 11.240 1.00 51.21 H new ATOM 0 HE3 LYS A 98 6.698 2.480 10.376 1.00 51.21 H new ATOM 0 HZ1 LYS A 98 5.657 0.576 10.757 1.00 62.24 H new ATOM 0 HZ2 LYS A 98 6.730 -0.194 9.691 1.00 62.24 H new ATOM 0 HZ3 LYS A 98 7.063 -0.163 11.356 1.00 62.24 H new ATOM 1571 N PHE A 99 9.942 0.666 5.448 1.00 74.05 N ATOM 1572 CA PHE A 99 9.201 -0.373 4.713 1.00 44.11 C ATOM 1573 C PHE A 99 10.098 -1.099 3.687 1.00 14.01 C ATOM 1574 O PHE A 99 10.085 -0.779 2.496 1.00 75.41 O ATOM 1575 CB PHE A 99 7.990 0.253 4.006 1.00 32.44 C ATOM 1576 CG PHE A 99 7.124 1.079 4.921 1.00 54.34 C ATOM 1577 CD1 PHE A 99 6.256 0.471 5.816 1.00 60.54 C ATOM 1578 CD2 PHE A 99 7.188 2.466 4.896 1.00 41.22 C ATOM 1579 CE1 PHE A 99 5.471 1.228 6.664 1.00 43.25 C ATOM 1580 CE2 PHE A 99 6.407 3.228 5.745 1.00 1.10 C ATOM 1581 CZ PHE A 99 5.547 2.608 6.630 1.00 63.31 C ATOM 0 H PHE A 99 10.292 1.424 4.862 1.00 74.05 H new ATOM 0 HA PHE A 99 8.860 -1.115 5.435 1.00 44.11 H new ATOM 0 HB2 PHE A 99 8.341 0.880 3.186 1.00 32.44 H new ATOM 0 HB3 PHE A 99 7.386 -0.540 3.565 1.00 32.44 H new ATOM 0 HD1 PHE A 99 6.193 -0.607 5.850 1.00 60.54 H new ATOM 0 HD2 PHE A 99 7.857 2.956 4.204 1.00 41.22 H new ATOM 0 HE1 PHE A 99 4.797 0.741 7.354 1.00 43.25 H new ATOM 0 HE2 PHE A 99 6.469 4.306 5.716 1.00 1.10 H new ATOM 0 HZ PHE A 99 4.935 3.200 7.294 1.00 63.31 H new ATOM 1591 N PRO A 100 10.871 -2.110 4.134 1.00 33.32 N ATOM 1592 CA PRO A 100 11.871 -2.788 3.281 1.00 64.51 C ATOM 1593 C PRO A 100 11.262 -3.615 2.133 1.00 53.24 C ATOM 1594 O PRO A 100 11.892 -3.794 1.087 1.00 54.10 O ATOM 1595 CB PRO A 100 12.615 -3.699 4.271 1.00 75.24 C ATOM 1596 CG PRO A 100 11.635 -3.950 5.366 1.00 65.42 C ATOM 1597 CD PRO A 100 10.833 -2.681 5.498 1.00 61.24 C ATOM 0 HA PRO A 100 12.505 -2.064 2.768 1.00 64.51 H new ATOM 0 HB2 PRO A 100 12.925 -4.630 3.796 1.00 75.24 H new ATOM 0 HB3 PRO A 100 13.517 -3.219 4.650 1.00 75.24 H new ATOM 0 HG2 PRO A 100 10.991 -4.797 5.128 1.00 65.42 H new ATOM 0 HG3 PRO A 100 12.144 -4.190 6.299 1.00 65.42 H new ATOM 0 HD2 PRO A 100 9.812 -2.883 5.821 1.00 61.24 H new ATOM 0 HD3 PRO A 100 11.271 -2.003 6.230 1.00 61.24 H new ATOM 1605 N GLU A 101 10.049 -4.125 2.324 1.00 40.42 N ATOM 1606 CA GLU A 101 9.392 -4.956 1.301 1.00 25.53 C ATOM 1607 C GLU A 101 8.523 -4.122 0.345 1.00 31.40 C ATOM 1608 O GLU A 101 8.067 -4.624 -0.687 1.00 2.22 O ATOM 1609 CB GLU A 101 8.530 -6.039 1.967 1.00 12.41 C ATOM 1610 CG GLU A 101 9.315 -6.990 2.866 1.00 52.01 C ATOM 1611 CD GLU A 101 8.421 -7.997 3.569 1.00 21.11 C ATOM 1612 OE1 GLU A 101 7.781 -7.626 4.575 1.00 42.33 O ATOM 1613 OE2 GLU A 101 8.350 -9.161 3.119 1.00 54.31 O ATOM 0 H GLU A 101 9.498 -3.983 3.170 1.00 40.42 H new ATOM 0 HA GLU A 101 10.182 -5.422 0.713 1.00 25.53 H new ATOM 0 HB2 GLU A 101 7.751 -5.557 2.558 1.00 12.41 H new ATOM 0 HB3 GLU A 101 8.029 -6.619 1.191 1.00 12.41 H new ATOM 0 HG2 GLU A 101 10.056 -7.522 2.268 1.00 52.01 H new ATOM 0 HG3 GLU A 101 9.862 -6.412 3.611 1.00 52.01 H new ATOM 1620 N VAL A 102 8.313 -2.847 0.670 1.00 52.40 N ATOM 1621 CA VAL A 102 7.402 -1.998 -0.112 1.00 74.11 C ATOM 1622 C VAL A 102 8.148 -1.205 -1.201 1.00 0.04 C ATOM 1623 O VAL A 102 9.156 -0.544 -0.934 1.00 52.40 O ATOM 1624 CB VAL A 102 6.624 -1.019 0.803 1.00 61.31 C ATOM 1625 CG1 VAL A 102 5.666 -0.152 -0.012 1.00 12.20 C ATOM 1626 CG2 VAL A 102 5.866 -1.787 1.886 1.00 3.23 C ATOM 0 H VAL A 102 8.755 -2.378 1.461 1.00 52.40 H new ATOM 0 HA VAL A 102 6.694 -2.668 -0.600 1.00 74.11 H new ATOM 0 HB VAL A 102 7.346 -0.360 1.286 1.00 61.31 H new ATOM 0 HG11 VAL A 102 5.133 0.526 0.654 1.00 12.20 H new ATOM 0 HG12 VAL A 102 6.231 0.427 -0.742 1.00 12.20 H new ATOM 0 HG13 VAL A 102 4.950 -0.790 -0.530 1.00 12.20 H new ATOM 0 HG21 VAL A 102 5.325 -1.084 2.520 1.00 3.23 H new ATOM 0 HG22 VAL A 102 5.159 -2.472 1.419 1.00 3.23 H new ATOM 0 HG23 VAL A 102 6.573 -2.353 2.493 1.00 3.23 H new ATOM 1636 N VAL A 103 7.642 -1.274 -2.430 1.00 33.52 N ATOM 1637 CA VAL A 103 8.265 -0.595 -3.574 1.00 73.30 C ATOM 1638 C VAL A 103 7.678 0.811 -3.790 1.00 64.10 C ATOM 1639 O VAL A 103 6.547 0.961 -4.248 1.00 11.22 O ATOM 1640 CB VAL A 103 8.094 -1.425 -4.874 1.00 70.04 C ATOM 1641 CG1 VAL A 103 8.784 -0.740 -6.054 1.00 33.33 C ATOM 1642 CG2 VAL A 103 8.622 -2.848 -4.680 1.00 73.35 C ATOM 0 H VAL A 103 6.797 -1.795 -2.665 1.00 33.52 H new ATOM 0 HA VAL A 103 9.326 -0.498 -3.343 1.00 73.30 H new ATOM 0 HB VAL A 103 7.030 -1.487 -5.100 1.00 70.04 H new ATOM 0 HG11 VAL A 103 8.650 -1.341 -6.953 1.00 33.33 H new ATOM 0 HG12 VAL A 103 8.347 0.246 -6.209 1.00 33.33 H new ATOM 0 HG13 VAL A 103 9.848 -0.636 -5.843 1.00 33.33 H new ATOM 0 HG21 VAL A 103 8.493 -3.413 -5.603 1.00 73.35 H new ATOM 0 HG22 VAL A 103 9.680 -2.811 -4.422 1.00 73.35 H new ATOM 0 HG23 VAL A 103 8.069 -3.335 -3.876 1.00 73.35 H new ATOM 1652 N PHE A 104 8.455 1.839 -3.463 1.00 53.53 N ATOM 1653 CA PHE A 104 8.021 3.229 -3.658 1.00 74.44 C ATOM 1654 C PHE A 104 8.339 3.718 -5.080 1.00 64.42 C ATOM 1655 O PHE A 104 9.303 3.265 -5.706 1.00 25.34 O ATOM 1656 CB PHE A 104 8.680 4.154 -2.619 1.00 30.10 C ATOM 1657 CG PHE A 104 8.054 4.089 -1.243 1.00 63.10 C ATOM 1658 CD1 PHE A 104 7.980 2.891 -0.547 1.00 22.24 C ATOM 1659 CD2 PHE A 104 7.547 5.236 -0.645 1.00 54.54 C ATOM 1660 CE1 PHE A 104 7.414 2.837 0.714 1.00 55.24 C ATOM 1661 CE2 PHE A 104 6.978 5.187 0.616 1.00 31.13 C ATOM 1662 CZ PHE A 104 6.913 3.986 1.296 1.00 52.40 C ATOM 0 H PHE A 104 9.388 1.742 -3.062 1.00 53.53 H new ATOM 0 HA PHE A 104 6.940 3.260 -3.522 1.00 74.44 H new ATOM 0 HB2 PHE A 104 9.736 3.896 -2.538 1.00 30.10 H new ATOM 0 HB3 PHE A 104 8.630 5.181 -2.980 1.00 30.10 H new ATOM 0 HD1 PHE A 104 8.369 1.989 -0.996 1.00 22.24 H new ATOM 0 HD2 PHE A 104 7.597 6.178 -1.171 1.00 54.54 H new ATOM 0 HE1 PHE A 104 7.364 1.897 1.244 1.00 55.24 H new ATOM 0 HE2 PHE A 104 6.586 6.086 1.068 1.00 31.13 H new ATOM 0 HZ PHE A 104 6.471 3.945 2.281 1.00 52.40 H new ATOM 1672 N SER A 105 7.524 4.643 -5.580 1.00 11.12 N ATOM 1673 CA SER A 105 7.691 5.184 -6.937 1.00 34.15 C ATOM 1674 C SER A 105 7.289 6.662 -7.009 1.00 22.45 C ATOM 1675 O SER A 105 6.748 7.220 -6.048 1.00 10.50 O ATOM 1676 CB SER A 105 6.853 4.379 -7.941 1.00 45.35 C ATOM 1677 OG SER A 105 5.459 4.501 -7.680 1.00 62.11 O ATOM 0 H SER A 105 6.736 5.039 -5.067 1.00 11.12 H new ATOM 0 HA SER A 105 8.748 5.102 -7.192 1.00 34.15 H new ATOM 0 HB2 SER A 105 7.066 4.725 -8.953 1.00 45.35 H new ATOM 0 HB3 SER A 105 7.141 3.329 -7.896 1.00 45.35 H new ATOM 0 HG SER A 105 5.021 3.637 -7.830 1.00 62.11 H new ATOM 1683 N GLY A 106 7.543 7.290 -8.157 1.00 21.51 N ATOM 1684 CA GLY A 106 7.208 8.700 -8.336 1.00 64.14 C ATOM 1685 C GLY A 106 6.314 8.950 -9.548 1.00 1.04 C ATOM 1686 O GLY A 106 6.325 8.181 -10.508 1.00 51.25 O ATOM 0 H GLY A 106 7.975 6.849 -8.969 1.00 21.51 H new ATOM 0 HA2 GLY A 106 6.707 9.066 -7.440 1.00 64.14 H new ATOM 0 HA3 GLY A 106 8.127 9.276 -8.444 1.00 64.14 H new ATOM 1690 N SER A 107 5.565 10.051 -9.519 1.00 11.13 N ATOM 1691 CA SER A 107 4.616 10.385 -10.599 1.00 73.22 C ATOM 1692 C SER A 107 5.314 11.024 -11.809 1.00 21.30 C ATOM 1693 O SER A 107 4.749 11.889 -12.479 1.00 73.35 O ATOM 1694 CB SER A 107 3.538 11.339 -10.069 1.00 42.33 C ATOM 1695 OG SER A 107 4.108 12.545 -9.581 1.00 3.13 O ATOM 0 H SER A 107 5.592 10.733 -8.761 1.00 11.13 H new ATOM 0 HA SER A 107 4.162 9.452 -10.932 1.00 73.22 H new ATOM 0 HB2 SER A 107 2.828 11.566 -10.864 1.00 42.33 H new ATOM 0 HB3 SER A 107 2.978 10.851 -9.272 1.00 42.33 H new ATOM 0 HG SER A 107 3.397 13.133 -9.252 1.00 3.13 H new ATOM 1701 N ASN A 108 6.527 10.569 -12.111 1.00 62.14 N ATOM 1702 CA ASN A 108 7.305 11.119 -13.223 1.00 52.34 C ATOM 1703 C ASN A 108 6.582 10.921 -14.569 1.00 24.25 C ATOM 1704 O ASN A 108 6.502 11.844 -15.385 1.00 54.02 O ATOM 1705 CB ASN A 108 8.696 10.472 -13.259 1.00 20.03 C ATOM 1706 CG ASN A 108 9.604 11.066 -14.325 1.00 71.31 C ATOM 1707 OD1 ASN A 108 9.457 12.350 -14.596 1.00 14.25 O flip ATOM 1708 ND2 ASN A 108 10.446 10.380 -14.893 1.00 41.41 N flip ATOM 0 H ASN A 108 6.995 9.820 -11.602 1.00 62.14 H new ATOM 0 HA ASN A 108 7.414 12.192 -13.063 1.00 52.34 H new ATOM 0 HB2 ASN A 108 9.168 10.586 -12.283 1.00 20.03 H new ATOM 0 HB3 ASN A 108 8.588 9.402 -13.438 1.00 20.03 H new ATOM 0 HD21 ASN A 108 10.537 9.390 -14.663 1.00 41.41 H new ATOM 0 HD22 ASN A 108 11.056 10.799 -15.595 1.00 41.41 H new ATOM 1715 N LEU A 109 6.052 9.719 -14.793 1.00 10.54 N ATOM 1716 CA LEU A 109 5.308 9.415 -16.023 1.00 11.10 C ATOM 1717 C LEU A 109 3.789 9.460 -15.789 1.00 3.32 C ATOM 1718 O LEU A 109 3.319 9.573 -14.655 1.00 62.13 O ATOM 1719 CB LEU A 109 5.706 8.040 -16.588 1.00 23.52 C ATOM 1720 CG LEU A 109 7.155 7.917 -17.099 1.00 40.03 C ATOM 1721 CD1 LEU A 109 8.153 7.847 -15.943 1.00 74.42 C ATOM 1722 CD2 LEU A 109 7.301 6.702 -18.015 1.00 42.43 C ATOM 0 H LEU A 109 6.122 8.938 -14.141 1.00 10.54 H new ATOM 0 HA LEU A 109 5.569 10.184 -16.751 1.00 11.10 H new ATOM 0 HB2 LEU A 109 5.550 7.291 -15.812 1.00 23.52 H new ATOM 0 HB3 LEU A 109 5.030 7.796 -17.407 1.00 23.52 H new ATOM 0 HG LEU A 109 7.381 8.814 -17.675 1.00 40.03 H new ATOM 0 HD11 LEU A 109 9.164 7.761 -16.340 1.00 74.42 H new ATOM 0 HD12 LEU A 109 8.076 8.752 -15.340 1.00 74.42 H new ATOM 0 HD13 LEU A 109 7.931 6.978 -15.323 1.00 74.42 H new ATOM 0 HD21 LEU A 109 8.331 6.632 -18.365 1.00 42.43 H new ATOM 0 HD22 LEU A 109 7.043 5.798 -17.464 1.00 42.43 H new ATOM 0 HD23 LEU A 109 6.633 6.809 -18.870 1.00 42.43 H new ATOM 1734 N GLU A 110 3.031 9.352 -16.874 1.00 60.34 N ATOM 1735 CA GLU A 110 1.571 9.444 -16.821 1.00 11.55 C ATOM 1736 C GLU A 110 0.913 8.194 -16.221 1.00 54.21 C ATOM 1737 O GLU A 110 0.952 7.104 -16.799 1.00 45.30 O ATOM 1738 CB GLU A 110 1.002 9.710 -18.227 1.00 25.00 C ATOM 1739 CG GLU A 110 0.852 11.189 -18.559 1.00 23.15 C ATOM 1740 CD GLU A 110 -0.104 11.894 -17.608 1.00 5.31 C ATOM 1741 OE1 GLU A 110 -1.293 11.514 -17.565 1.00 30.01 O ATOM 1742 OE2 GLU A 110 0.322 12.818 -16.891 1.00 3.12 O ATOM 0 H GLU A 110 3.405 9.199 -17.811 1.00 60.34 H new ATOM 0 HA GLU A 110 1.335 10.278 -16.160 1.00 11.55 H new ATOM 0 HB2 GLU A 110 1.654 9.245 -18.967 1.00 25.00 H new ATOM 0 HB3 GLU A 110 0.028 9.227 -18.312 1.00 25.00 H new ATOM 0 HG2 GLU A 110 1.829 11.671 -18.514 1.00 23.15 H new ATOM 0 HG3 GLU A 110 0.490 11.296 -19.582 1.00 23.15 H new ATOM 1749 N HIS A 111 0.307 8.363 -15.051 1.00 32.13 N ATOM 1750 CA HIS A 111 -0.543 7.323 -14.468 1.00 31.14 C ATOM 1751 C HIS A 111 -2.020 7.748 -14.512 1.00 30.32 C ATOM 1752 O HIS A 111 -2.900 7.027 -14.048 1.00 0.31 O ATOM 1753 CB HIS A 111 -0.114 7.007 -13.025 1.00 44.12 C ATOM 1754 CG HIS A 111 -0.732 5.744 -12.499 1.00 14.24 C ATOM 1755 ND1 HIS A 111 -0.271 4.494 -12.839 1.00 75.02 N ATOM 1756 CD2 HIS A 111 -1.802 5.537 -11.691 1.00 62.21 C ATOM 1757 CE1 HIS A 111 -1.025 3.577 -12.272 1.00 43.12 C ATOM 1758 NE2 HIS A 111 -1.965 4.180 -11.569 1.00 61.31 N ATOM 0 H HIS A 111 0.386 9.208 -14.486 1.00 32.13 H new ATOM 0 HA HIS A 111 -0.426 6.416 -15.061 1.00 31.14 H new ATOM 0 HB2 HIS A 111 0.972 6.919 -12.984 1.00 44.12 H new ATOM 0 HB3 HIS A 111 -0.391 7.839 -12.378 1.00 44.12 H new ATOM 0 HD2 HIS A 111 -2.412 6.299 -11.229 1.00 62.21 H new ATOM 0 HE1 HIS A 111 -0.896 2.509 -12.366 1.00 43.12 H new ATOM 0 HE2 HIS A 111 -2.692 3.715 -11.025 1.00 61.31 H new ATOM 1767 N HIS A 112 -2.287 8.923 -15.087 1.00 14.23 N ATOM 1768 CA HIS A 112 -3.660 9.420 -15.228 1.00 11.41 C ATOM 1769 C HIS A 112 -4.390 8.667 -16.348 1.00 42.20 C ATOM 1770 O HIS A 112 -5.575 8.358 -16.240 1.00 51.41 O ATOM 1771 CB HIS A 112 -3.654 10.925 -15.515 1.00 30.23 C ATOM 1772 CG HIS A 112 -2.887 11.723 -14.500 1.00 32.14 C ATOM 1773 ND1 HIS A 112 -1.787 12.493 -14.816 1.00 62.25 N ATOM 1774 CD2 HIS A 112 -3.068 11.867 -13.165 1.00 1.11 C ATOM 1775 CE1 HIS A 112 -1.326 13.069 -13.724 1.00 53.35 C ATOM 1776 NE2 HIS A 112 -2.083 12.707 -12.711 1.00 52.43 N ATOM 0 H HIS A 112 -1.573 9.548 -15.462 1.00 14.23 H new ATOM 0 HA HIS A 112 -4.189 9.246 -14.291 1.00 11.41 H new ATOM 0 HB2 HIS A 112 -3.224 11.097 -16.502 1.00 30.23 H new ATOM 0 HB3 HIS A 112 -4.682 11.285 -15.548 1.00 30.23 H new ATOM 0 HD2 HIS A 112 -3.843 11.407 -12.570 1.00 1.11 H new ATOM 0 HE1 HIS A 112 -0.471 13.727 -13.670 1.00 53.35 H new ATOM 0 HE2 HIS A 112 -1.958 13.003 -11.743 1.00 52.43 H new ATOM 1785 N HIS A 113 -3.662 8.378 -17.426 1.00 12.22 N ATOM 1786 CA HIS A 113 -4.187 7.561 -18.523 1.00 42.34 C ATOM 1787 C HIS A 113 -4.090 6.068 -18.172 1.00 54.02 C ATOM 1788 O HIS A 113 -2.993 5.530 -17.984 1.00 13.41 O ATOM 1789 CB HIS A 113 -3.423 7.856 -19.820 1.00 34.22 C ATOM 1790 CG HIS A 113 -3.520 9.288 -20.261 1.00 72.22 C ATOM 1791 ND1 HIS A 113 -4.620 9.804 -20.908 1.00 51.24 N ATOM 1792 CD2 HIS A 113 -2.649 10.317 -20.137 1.00 21.00 C ATOM 1793 CE1 HIS A 113 -4.425 11.081 -21.159 1.00 72.32 C ATOM 1794 NE2 HIS A 113 -3.238 11.420 -20.704 1.00 43.12 N ATOM 0 H HIS A 113 -2.704 8.698 -17.565 1.00 12.22 H new ATOM 0 HA HIS A 113 -5.237 7.814 -18.673 1.00 42.34 H new ATOM 0 HB2 HIS A 113 -2.373 7.598 -19.681 1.00 34.22 H new ATOM 0 HB3 HIS A 113 -3.807 7.213 -20.612 1.00 34.22 H new ATOM 0 HD2 HIS A 113 -1.672 10.278 -19.677 1.00 21.00 H new ATOM 0 HE1 HIS A 113 -5.122 11.740 -21.655 1.00 72.32 H new ATOM 0 HE2 HIS A 113 -2.823 12.350 -20.763 1.00 43.12 H new ATOM 1803 N HIS A 114 -5.241 5.407 -18.075 1.00 44.12 N ATOM 1804 CA HIS A 114 -5.297 4.002 -17.659 1.00 15.44 C ATOM 1805 C HIS A 114 -4.598 3.051 -18.643 1.00 55.41 C ATOM 1806 O HIS A 114 -5.179 2.615 -19.636 1.00 34.34 O ATOM 1807 CB HIS A 114 -6.750 3.558 -17.428 1.00 62.24 C ATOM 1808 CG HIS A 114 -7.239 3.814 -16.035 1.00 4.42 C ATOM 1809 ND1 HIS A 114 -7.711 5.035 -15.607 1.00 52.43 N ATOM 1810 CD2 HIS A 114 -7.319 2.988 -14.966 1.00 42.32 C ATOM 1811 CE1 HIS A 114 -8.060 4.949 -14.339 1.00 24.52 C ATOM 1812 NE2 HIS A 114 -7.834 3.719 -13.927 1.00 74.20 N ATOM 0 H HIS A 114 -6.151 5.820 -18.279 1.00 44.12 H new ATOM 0 HA HIS A 114 -4.748 3.941 -16.720 1.00 15.44 H new ATOM 0 HB2 HIS A 114 -7.397 4.079 -18.133 1.00 62.24 H new ATOM 0 HB3 HIS A 114 -6.835 2.493 -17.644 1.00 62.24 H new ATOM 0 HD2 HIS A 114 -7.031 1.948 -14.937 1.00 42.32 H new ATOM 0 HE1 HIS A 114 -8.463 5.752 -13.739 1.00 24.52 H new ATOM 0 HE2 HIS A 114 -8.013 3.367 -12.987 1.00 74.20 H new ATOM 1821 N HIS A 115 -3.326 2.776 -18.371 1.00 45.32 N ATOM 1822 CA HIS A 115 -2.605 1.665 -19.004 1.00 24.53 C ATOM 1823 C HIS A 115 -1.945 0.784 -17.927 1.00 63.00 C ATOM 1824 O HIS A 115 -1.142 -0.099 -18.226 1.00 33.01 O ATOM 1825 CB HIS A 115 -1.574 2.176 -20.029 1.00 63.51 C ATOM 1826 CG HIS A 115 -0.673 3.269 -19.533 1.00 53.23 C ATOM 1827 ND1 HIS A 115 -0.839 4.592 -19.882 1.00 25.52 N ATOM 1828 CD2 HIS A 115 0.428 3.232 -18.742 1.00 23.04 C ATOM 1829 CE1 HIS A 115 0.114 5.316 -19.332 1.00 30.43 C ATOM 1830 NE2 HIS A 115 0.896 4.518 -18.634 1.00 55.21 N ATOM 0 H HIS A 115 -2.764 3.311 -17.709 1.00 45.32 H new ATOM 0 HA HIS A 115 -3.322 1.055 -19.554 1.00 24.53 H new ATOM 0 HB2 HIS A 115 -0.958 1.336 -20.351 1.00 63.51 H new ATOM 0 HB3 HIS A 115 -2.107 2.537 -20.909 1.00 63.51 H new ATOM 0 HD2 HIS A 115 0.857 2.354 -18.282 1.00 23.04 H new ATOM 0 HE1 HIS A 115 0.234 6.384 -19.436 1.00 30.43 H new ATOM 0 HE2 HIS A 115 1.715 4.808 -18.100 1.00 55.21 H new ATOM 1839 N HIS A 116 -2.314 1.051 -16.670 1.00 70.01 N ATOM 1840 CA HIS A 116 -1.875 0.275 -15.494 1.00 53.22 C ATOM 1841 C HIS A 116 -2.815 0.534 -14.293 1.00 32.21 C ATOM 1842 O HIS A 116 -3.610 -0.366 -13.943 1.00 38.16 O ATOM 1843 CB HIS A 116 -0.421 0.605 -15.101 1.00 73.10 C ATOM 1844 CG HIS A 116 0.615 -0.141 -15.895 1.00 51.12 C ATOM 1845 ND1 HIS A 116 0.591 -1.510 -16.065 1.00 34.11 N ATOM 1846 CD2 HIS A 116 1.706 0.296 -16.572 1.00 42.33 C ATOM 1847 CE1 HIS A 116 1.617 -1.881 -16.803 1.00 51.53 C ATOM 1848 NE2 HIS A 116 2.307 -0.808 -17.124 1.00 34.12 N ATOM 1849 OXT HIS A 116 -2.764 1.647 -13.722 1.00 38.16 O ATOM 0 H HIS A 116 -2.936 1.824 -16.432 1.00 70.01 H new ATOM 0 HA HIS A 116 -1.919 -0.779 -15.766 1.00 53.22 H new ATOM 0 HB2 HIS A 116 -0.257 1.675 -15.225 1.00 73.10 H new ATOM 0 HB3 HIS A 116 -0.282 0.382 -14.043 1.00 73.10 H new ATOM 0 HD2 HIS A 116 2.039 1.320 -16.660 1.00 42.33 H new ATOM 0 HE1 HIS A 116 1.852 -2.894 -17.095 1.00 51.53 H new ATOM 0 HE2 HIS A 116 3.154 -0.798 -17.693 1.00 34.12 H new TER 1858 HIS A 116