USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 890 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 HIS : no HD1:sc= -0.113 X(o=-0.19,f=-0.48) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -0.0737 X(o=-0.19,f=-0.051) USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0.00634 USER MOD Set 2.2: A 86 THR OG1 : rot -60:sc= 0.00727 USER MOD Set 3.1: A 63 GLN : amide:sc= 0.72 K(o=1.5,f=-0.5) USER MOD Set 3.2: A 67 ASN : amide:sc= 0.288 K(o=1.5,f=-1) USER MOD Set 3.3: A 84 LYS NZ :NH3+ 157:sc= 0.449 (180deg=0) USER MOD Set 4.1: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 59 ASN :FLIP amide:sc= -0.148 F(o=-1.1,f=-0.15) USER MOD Set 5.1: A 37 SER OG : rot 180:sc= 0.0157 USER MOD Set 5.2: A 38 GLN : amide:sc= -0.0357 X(o=-0.02,f=-0.02) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.27 (180deg=1.04) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 48:sc= 0.0507 USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 79:sc= 0.444 USER MOD Single : A 19 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.15) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.653 K(o=0.65,f=0) USER MOD Single : A 26 TYR OH : rot 120:sc= -0.424 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 29:sc= 0.122 USER MOD Single : A 35 THR OG1 : rot -26:sc= 0.141 USER MOD Single : A 36 SER OG : rot 180:sc= 0.259 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 74:sc= 0.949 USER MOD Single : A 47 MET CE :methyl -147:sc= -0.148 (180deg=-0.738) USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= 0.898 (180deg=0.256) USER MOD Single : A 50 ASN : amide:sc= -0.52 K(o=-0.52,f=-3!) USER MOD Single : A 52 LYS NZ :NH3+ -124:sc= 1.3 (180deg=0.147) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.174 K(o=-0.17,f=-4.2!) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.49 F(o=-1.2,f=-0.49) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 171:sc= 0.0444 USER MOD Single : A 92 THR OG1 : rot 91:sc= -0.0309 USER MOD Single : A 93 GLN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc=-0.00233 X(o=-0.0023,f=-0.0023) USER MOD Single : A 111 HIS : no HE2:sc= -0.195 K(o=-0.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.067 0.291 16.175 1.00 1.41 N ATOM 2 CA MET A 1 3.349 1.281 15.334 1.00 3.11 C ATOM 3 C MET A 1 4.125 1.517 14.031 1.00 4.04 C ATOM 4 O MET A 1 5.271 1.086 13.910 1.00 22.45 O ATOM 5 CB MET A 1 3.153 2.616 16.109 1.00 32.24 C ATOM 6 CG MET A 1 4.411 3.490 16.269 1.00 45.40 C ATOM 7 SD MET A 1 5.780 2.628 17.074 1.00 72.01 S ATOM 8 CE MET A 1 7.091 3.848 16.928 1.00 72.24 C ATOM 0 H1 MET A 1 3.504 0.084 17.025 1.00 1.41 H new ATOM 0 H2 MET A 1 4.211 -0.585 15.633 1.00 1.41 H new ATOM 0 H3 MET A 1 4.990 0.679 16.457 1.00 1.41 H new ATOM 0 HA MET A 1 2.363 0.887 15.088 1.00 3.11 H new ATOM 0 HB2 MET A 1 2.389 3.202 15.598 1.00 32.24 H new ATOM 0 HB3 MET A 1 2.766 2.385 17.101 1.00 32.24 H new ATOM 0 HG2 MET A 1 4.734 3.833 15.286 1.00 45.40 H new ATOM 0 HG3 MET A 1 4.158 4.377 16.849 1.00 45.40 H new ATOM 0 HE1 MET A 1 8.003 3.459 17.381 1.00 72.24 H new ATOM 0 HE2 MET A 1 7.273 4.063 15.875 1.00 72.24 H new ATOM 0 HE3 MET A 1 6.794 4.764 17.439 1.00 72.24 H new ATOM 20 N GLY A 2 3.493 2.211 13.074 1.00 25.25 N ATOM 21 CA GLY A 2 4.127 2.544 11.797 1.00 5.54 C ATOM 22 C GLY A 2 3.205 3.366 10.915 1.00 22.03 C ATOM 23 O GLY A 2 2.119 3.765 11.359 1.00 51.53 O ATOM 0 H GLY A 2 2.536 2.553 13.165 1.00 25.25 H new ATOM 0 HA2 GLY A 2 5.047 3.099 11.980 1.00 5.54 H new ATOM 0 HA3 GLY A 2 4.406 1.627 11.278 1.00 5.54 H new ATOM 27 N LYS A 3 3.621 3.628 9.668 1.00 13.44 N ATOM 28 CA LYS A 3 2.791 4.359 8.691 1.00 3.03 C ATOM 29 C LYS A 3 2.889 3.672 7.327 1.00 71.03 C ATOM 30 O LYS A 3 3.983 3.366 6.862 1.00 50.52 O ATOM 31 CB LYS A 3 3.199 5.854 8.588 1.00 51.43 C ATOM 32 CG LYS A 3 2.219 6.708 7.741 1.00 11.04 C ATOM 33 CD LYS A 3 2.651 8.187 7.593 1.00 3.33 C ATOM 34 CE LYS A 3 2.717 8.943 8.927 1.00 40.23 C ATOM 35 NZ LYS A 3 3.158 10.354 8.736 1.00 63.11 N ATOM 0 H LYS A 3 4.532 3.344 9.308 1.00 13.44 H new ATOM 0 HA LYS A 3 1.757 4.338 9.035 1.00 3.03 H new ATOM 0 HB2 LYS A 3 3.261 6.275 9.591 1.00 51.43 H new ATOM 0 HB3 LYS A 3 4.196 5.921 8.152 1.00 51.43 H new ATOM 0 HG2 LYS A 3 2.128 6.264 6.750 1.00 11.04 H new ATOM 0 HG3 LYS A 3 1.230 6.671 8.199 1.00 11.04 H new ATOM 0 HD2 LYS A 3 3.630 8.225 7.114 1.00 3.33 H new ATOM 0 HD3 LYS A 3 1.952 8.697 6.930 1.00 3.33 H new ATOM 0 HE2 LYS A 3 1.737 8.929 9.403 1.00 40.23 H new ATOM 0 HE3 LYS A 3 3.406 8.434 9.601 1.00 40.23 H new ATOM 0 HZ1 LYS A 3 3.191 10.835 9.657 1.00 63.11 H new ATOM 0 HZ2 LYS A 3 4.104 10.367 8.304 1.00 63.11 H new ATOM 0 HZ3 LYS A 3 2.487 10.846 8.113 1.00 63.11 H new ATOM 49 N VAL A 4 1.727 3.426 6.704 1.00 71.12 N ATOM 50 CA VAL A 4 1.623 2.741 5.403 1.00 35.20 C ATOM 51 C VAL A 4 1.047 3.709 4.353 1.00 41.23 C ATOM 52 O VAL A 4 0.246 4.576 4.689 1.00 0.50 O ATOM 53 CB VAL A 4 0.694 1.468 5.508 1.00 63.30 C ATOM 54 CG1 VAL A 4 0.720 0.644 4.201 1.00 3.54 C ATOM 55 CG2 VAL A 4 1.063 0.589 6.731 1.00 71.45 C ATOM 0 H VAL A 4 0.824 3.699 7.091 1.00 71.12 H new ATOM 0 HA VAL A 4 2.621 2.419 5.104 1.00 35.20 H new ATOM 0 HB VAL A 4 -0.325 1.824 5.657 1.00 63.30 H new ATOM 0 HG11 VAL A 4 0.071 -0.225 4.306 1.00 3.54 H new ATOM 0 HG12 VAL A 4 0.369 1.262 3.374 1.00 3.54 H new ATOM 0 HG13 VAL A 4 1.739 0.313 4.000 1.00 3.54 H new ATOM 0 HG21 VAL A 4 0.402 -0.277 6.769 1.00 71.45 H new ATOM 0 HG22 VAL A 4 2.096 0.253 6.639 1.00 71.45 H new ATOM 0 HG23 VAL A 4 0.951 1.172 7.645 1.00 71.45 H new ATOM 65 N LEU A 5 1.485 3.571 3.094 1.00 62.13 N ATOM 66 CA LEU A 5 0.887 4.258 1.943 1.00 1.34 C ATOM 67 C LEU A 5 0.034 3.241 1.176 1.00 2.45 C ATOM 68 O LEU A 5 0.570 2.364 0.489 1.00 50.43 O ATOM 69 CB LEU A 5 1.989 4.848 1.027 1.00 0.50 C ATOM 70 CG LEU A 5 1.493 5.629 -0.236 1.00 35.42 C ATOM 71 CD1 LEU A 5 0.670 6.868 0.153 1.00 3.52 C ATOM 72 CD2 LEU A 5 2.671 6.003 -1.160 1.00 63.42 C ATOM 0 H LEU A 5 2.273 2.973 2.844 1.00 62.13 H new ATOM 0 HA LEU A 5 0.266 5.087 2.282 1.00 1.34 H new ATOM 0 HB2 LEU A 5 2.608 5.519 1.623 1.00 0.50 H new ATOM 0 HB3 LEU A 5 2.632 4.032 0.695 1.00 0.50 H new ATOM 0 HG LEU A 5 0.834 4.964 -0.794 1.00 35.42 H new ATOM 0 HD11 LEU A 5 0.343 7.385 -0.749 1.00 3.52 H new ATOM 0 HD12 LEU A 5 -0.201 6.559 0.731 1.00 3.52 H new ATOM 0 HD13 LEU A 5 1.284 7.539 0.753 1.00 3.52 H new ATOM 0 HD21 LEU A 5 2.295 6.544 -2.028 1.00 63.42 H new ATOM 0 HD22 LEU A 5 3.374 6.634 -0.616 1.00 63.42 H new ATOM 0 HD23 LEU A 5 3.177 5.096 -1.490 1.00 63.42 H new ATOM 84 N LEU A 6 -1.281 3.350 1.309 1.00 65.13 N ATOM 85 CA LEU A 6 -2.231 2.415 0.714 1.00 41.30 C ATOM 86 C LEU A 6 -2.509 2.863 -0.735 1.00 35.12 C ATOM 87 O LEU A 6 -3.306 3.782 -0.971 1.00 31.42 O ATOM 88 CB LEU A 6 -3.528 2.389 1.575 1.00 72.11 C ATOM 89 CG LEU A 6 -4.600 1.319 1.199 1.00 52.30 C ATOM 90 CD1 LEU A 6 -4.061 -0.112 1.392 1.00 64.44 C ATOM 91 CD2 LEU A 6 -5.904 1.546 1.996 1.00 12.42 C ATOM 0 H LEU A 6 -1.725 4.099 1.840 1.00 65.13 H new ATOM 0 HA LEU A 6 -1.829 1.402 0.691 1.00 41.30 H new ATOM 0 HB2 LEU A 6 -3.242 2.233 2.615 1.00 72.11 H new ATOM 0 HB3 LEU A 6 -3.994 3.372 1.517 1.00 72.11 H new ATOM 0 HG LEU A 6 -4.831 1.434 0.140 1.00 52.30 H new ATOM 0 HD11 LEU A 6 -4.834 -0.831 1.121 1.00 64.44 H new ATOM 0 HD12 LEU A 6 -3.188 -0.261 0.757 1.00 64.44 H new ATOM 0 HD13 LEU A 6 -3.780 -0.257 2.435 1.00 64.44 H new ATOM 0 HD21 LEU A 6 -6.637 0.789 1.718 1.00 12.42 H new ATOM 0 HD22 LEU A 6 -5.695 1.474 3.063 1.00 12.42 H new ATOM 0 HD23 LEU A 6 -6.301 2.536 1.770 1.00 12.42 H new ATOM 103 N VAL A 7 -1.813 2.231 -1.696 1.00 32.24 N ATOM 104 CA VAL A 7 -1.910 2.571 -3.123 1.00 52.34 C ATOM 105 C VAL A 7 -3.074 1.791 -3.744 1.00 35.21 C ATOM 106 O VAL A 7 -2.988 0.584 -3.966 1.00 41.52 O ATOM 107 CB VAL A 7 -0.576 2.229 -3.894 1.00 63.10 C ATOM 108 CG1 VAL A 7 -0.702 2.515 -5.411 1.00 34.35 C ATOM 109 CG2 VAL A 7 0.626 2.976 -3.279 1.00 24.31 C ATOM 0 H VAL A 7 -1.165 1.467 -1.502 1.00 32.24 H new ATOM 0 HA VAL A 7 -2.080 3.644 -3.209 1.00 52.34 H new ATOM 0 HB VAL A 7 -0.398 1.159 -3.782 1.00 63.10 H new ATOM 0 HG11 VAL A 7 0.236 2.267 -5.907 1.00 34.35 H new ATOM 0 HG12 VAL A 7 -1.505 1.909 -5.830 1.00 34.35 H new ATOM 0 HG13 VAL A 7 -0.926 3.571 -5.565 1.00 34.35 H new ATOM 0 HG21 VAL A 7 1.532 2.722 -3.829 1.00 24.31 H new ATOM 0 HG22 VAL A 7 0.455 4.051 -3.337 1.00 24.31 H new ATOM 0 HG23 VAL A 7 0.741 2.683 -2.235 1.00 24.31 H new ATOM 119 N ILE A 8 -4.167 2.506 -3.988 1.00 24.42 N ATOM 120 CA ILE A 8 -5.398 1.969 -4.561 1.00 14.22 C ATOM 121 C ILE A 8 -5.521 2.448 -6.017 1.00 42.10 C ATOM 122 O ILE A 8 -5.434 3.652 -6.291 1.00 33.12 O ATOM 123 CB ILE A 8 -6.648 2.456 -3.735 1.00 62.14 C ATOM 124 CG1 ILE A 8 -6.422 2.210 -2.211 1.00 11.04 C ATOM 125 CG2 ILE A 8 -7.957 1.780 -4.226 1.00 2.45 C ATOM 126 CD1 ILE A 8 -7.479 2.800 -1.308 1.00 5.05 C ATOM 0 H ILE A 8 -4.223 3.504 -3.787 1.00 24.42 H new ATOM 0 HA ILE A 8 -5.365 0.880 -4.528 1.00 14.22 H new ATOM 0 HB ILE A 8 -6.761 3.528 -3.897 1.00 62.14 H new ATOM 0 HG12 ILE A 8 -6.373 1.135 -2.035 1.00 11.04 H new ATOM 0 HG13 ILE A 8 -5.453 2.624 -1.931 1.00 11.04 H new ATOM 0 HG21 ILE A 8 -8.797 2.141 -3.633 1.00 2.45 H new ATOM 0 HG22 ILE A 8 -8.122 2.025 -5.275 1.00 2.45 H new ATOM 0 HG23 ILE A 8 -7.872 0.699 -4.115 1.00 2.45 H new ATOM 0 HD11 ILE A 8 -7.236 2.577 -0.269 1.00 5.05 H new ATOM 0 HD12 ILE A 8 -7.516 3.880 -1.448 1.00 5.05 H new ATOM 0 HD13 ILE A 8 -8.449 2.369 -1.554 1.00 5.05 H new ATOM 138 N SER A 9 -5.706 1.499 -6.929 1.00 41.31 N ATOM 139 CA SER A 9 -6.017 1.761 -8.332 1.00 44.41 C ATOM 140 C SER A 9 -6.891 0.609 -8.823 1.00 1.44 C ATOM 141 O SER A 9 -6.701 -0.540 -8.415 1.00 71.04 O ATOM 142 CB SER A 9 -4.726 1.888 -9.180 1.00 45.04 C ATOM 143 OG SER A 9 -5.017 2.142 -10.551 1.00 33.33 O ATOM 0 H SER A 9 -5.643 0.505 -6.710 1.00 41.31 H new ATOM 0 HA SER A 9 -6.544 2.709 -8.434 1.00 44.41 H new ATOM 0 HB2 SER A 9 -4.109 2.694 -8.784 1.00 45.04 H new ATOM 0 HB3 SER A 9 -4.144 0.970 -9.096 1.00 45.04 H new ATOM 0 HG SER A 9 -4.180 2.218 -11.055 1.00 33.33 H new ATOM 149 N THR A 10 -7.856 0.920 -9.687 1.00 13.43 N ATOM 150 CA THR A 10 -8.788 -0.072 -10.236 1.00 52.51 C ATOM 151 C THR A 10 -8.208 -0.733 -11.503 1.00 43.15 C ATOM 152 O THR A 10 -8.887 -1.525 -12.168 1.00 63.50 O ATOM 153 CB THR A 10 -10.161 0.611 -10.532 1.00 23.52 C ATOM 154 OG1 THR A 10 -9.964 1.769 -11.372 1.00 5.34 O ATOM 155 CG2 THR A 10 -10.885 1.043 -9.235 1.00 73.23 C ATOM 0 H THR A 10 -8.016 1.868 -10.029 1.00 13.43 H new ATOM 0 HA THR A 10 -8.940 -0.862 -9.501 1.00 52.51 H new ATOM 0 HB THR A 10 -10.785 -0.123 -11.041 1.00 23.52 H new ATOM 0 HG1 THR A 10 -9.379 1.533 -12.122 1.00 5.34 H new ATOM 0 HG21 THR A 10 -11.835 1.513 -9.488 1.00 73.23 H new ATOM 0 HG22 THR A 10 -11.068 0.168 -8.612 1.00 73.23 H new ATOM 0 HG23 THR A 10 -10.263 1.753 -8.690 1.00 73.23 H new ATOM 163 N ASP A 11 -6.938 -0.410 -11.819 1.00 43.32 N ATOM 164 CA ASP A 11 -6.250 -0.869 -13.033 1.00 51.01 C ATOM 165 C ASP A 11 -4.980 -1.647 -12.654 1.00 44.22 C ATOM 166 O ASP A 11 -3.931 -1.055 -12.370 1.00 11.22 O ATOM 167 CB ASP A 11 -5.934 0.341 -13.952 1.00 22.13 C ATOM 168 CG ASP A 11 -7.210 1.043 -14.467 1.00 32.12 C ATOM 169 OD1 ASP A 11 -7.826 1.823 -13.703 1.00 31.41 O ATOM 170 OD2 ASP A 11 -7.618 0.808 -15.629 1.00 5.23 O ATOM 0 H ASP A 11 -6.357 0.185 -11.228 1.00 43.32 H new ATOM 0 HA ASP A 11 -6.899 -1.546 -13.589 1.00 51.01 H new ATOM 0 HB2 ASP A 11 -5.324 1.059 -13.404 1.00 22.13 H new ATOM 0 HB3 ASP A 11 -5.341 0.002 -14.802 1.00 22.13 H new ATOM 175 N THR A 12 -5.104 -2.986 -12.665 1.00 53.22 N ATOM 176 CA THR A 12 -4.019 -3.928 -12.339 1.00 30.40 C ATOM 177 C THR A 12 -2.830 -3.786 -13.315 1.00 42.14 C ATOM 178 O THR A 12 -1.698 -4.091 -12.955 1.00 14.02 O ATOM 179 CB THR A 12 -4.583 -5.393 -12.327 1.00 32.22 C ATOM 180 OG1 THR A 12 -5.542 -5.519 -11.257 1.00 3.43 O ATOM 181 CG2 THR A 12 -3.499 -6.481 -12.162 1.00 30.50 C ATOM 0 H THR A 12 -5.979 -3.453 -12.906 1.00 53.22 H new ATOM 0 HA THR A 12 -3.636 -3.691 -11.346 1.00 30.40 H new ATOM 0 HB THR A 12 -5.042 -5.557 -13.302 1.00 32.22 H new ATOM 0 HG1 THR A 12 -5.900 -6.431 -11.244 1.00 3.43 H new ATOM 0 HG21 THR A 12 -3.968 -7.465 -12.163 1.00 30.50 H new ATOM 0 HG22 THR A 12 -2.790 -6.416 -12.987 1.00 30.50 H new ATOM 0 HG23 THR A 12 -2.973 -6.331 -11.219 1.00 30.50 H new ATOM 189 N ASN A 13 -3.105 -3.282 -14.539 1.00 25.11 N ATOM 190 CA ASN A 13 -2.064 -2.942 -15.533 1.00 23.34 C ATOM 191 C ASN A 13 -1.105 -1.878 -14.968 1.00 15.24 C ATOM 192 O ASN A 13 0.117 -1.998 -15.096 1.00 3.34 O ATOM 193 CB ASN A 13 -2.705 -2.416 -16.852 1.00 42.21 C ATOM 194 CG ASN A 13 -3.450 -3.485 -17.662 1.00 22.22 C ATOM 195 OD1 ASN A 13 -3.996 -4.447 -17.119 1.00 54.24 O ATOM 196 ND2 ASN A 13 -3.475 -3.327 -18.976 1.00 45.01 N ATOM 0 H ASN A 13 -4.054 -3.100 -14.865 1.00 25.11 H new ATOM 0 HA ASN A 13 -1.504 -3.851 -15.752 1.00 23.34 H new ATOM 0 HB2 ASN A 13 -3.399 -1.611 -16.609 1.00 42.21 H new ATOM 0 HB3 ASN A 13 -1.922 -1.984 -17.476 1.00 42.21 H new ATOM 0 HD21 ASN A 13 -3.954 -4.010 -19.563 1.00 45.01 H new ATOM 0 HD22 ASN A 13 -3.015 -2.522 -19.402 1.00 45.01 H new ATOM 203 N ILE A 14 -1.683 -0.850 -14.320 1.00 53.23 N ATOM 204 CA ILE A 14 -0.919 0.265 -13.742 1.00 24.13 C ATOM 205 C ILE A 14 -0.179 -0.214 -12.481 1.00 72.02 C ATOM 206 O ILE A 14 1.025 0.014 -12.343 1.00 41.44 O ATOM 207 CB ILE A 14 -1.870 1.469 -13.409 1.00 44.21 C ATOM 208 CG1 ILE A 14 -2.588 1.971 -14.700 1.00 4.43 C ATOM 209 CG2 ILE A 14 -1.123 2.624 -12.706 1.00 73.32 C ATOM 210 CD1 ILE A 14 -1.692 2.612 -15.750 1.00 65.21 C ATOM 0 H ILE A 14 -2.691 -0.771 -14.184 1.00 53.23 H new ATOM 0 HA ILE A 14 -0.185 0.610 -14.470 1.00 24.13 H new ATOM 0 HB ILE A 14 -2.623 1.107 -12.709 1.00 44.21 H new ATOM 0 HG12 ILE A 14 -3.105 1.127 -15.157 1.00 4.43 H new ATOM 0 HG13 ILE A 14 -3.351 2.694 -14.411 1.00 4.43 H new ATOM 0 HG21 ILE A 14 -1.821 3.434 -12.495 1.00 73.32 H new ATOM 0 HG22 ILE A 14 -0.693 2.264 -11.772 1.00 73.32 H new ATOM 0 HG23 ILE A 14 -0.327 2.990 -13.354 1.00 73.32 H new ATOM 0 HD11 ILE A 14 -2.296 2.923 -16.603 1.00 65.21 H new ATOM 0 HD12 ILE A 14 -1.194 3.482 -15.321 1.00 65.21 H new ATOM 0 HD13 ILE A 14 -0.944 1.891 -16.079 1.00 65.21 H new ATOM 222 N ILE A 15 -0.922 -0.934 -11.610 1.00 51.15 N ATOM 223 CA ILE A 15 -0.397 -1.488 -10.348 1.00 65.52 C ATOM 224 C ILE A 15 0.800 -2.421 -10.613 1.00 5.03 C ATOM 225 O ILE A 15 1.792 -2.344 -9.903 1.00 31.25 O ATOM 226 CB ILE A 15 -1.520 -2.254 -9.541 1.00 12.40 C ATOM 227 CG1 ILE A 15 -2.641 -1.258 -9.107 1.00 61.35 C ATOM 228 CG2 ILE A 15 -0.946 -3.021 -8.319 1.00 52.01 C ATOM 229 CD1 ILE A 15 -3.755 -1.868 -8.277 1.00 70.55 C ATOM 0 H ILE A 15 -1.907 -1.146 -11.767 1.00 51.15 H new ATOM 0 HA ILE A 15 -0.057 -0.649 -9.741 1.00 65.52 H new ATOM 0 HB ILE A 15 -1.952 -3.004 -10.203 1.00 12.40 H new ATOM 0 HG12 ILE A 15 -2.186 -0.448 -8.537 1.00 61.35 H new ATOM 0 HG13 ILE A 15 -3.077 -0.813 -10.001 1.00 61.35 H new ATOM 0 HG21 ILE A 15 -1.755 -3.531 -7.797 1.00 52.01 H new ATOM 0 HG22 ILE A 15 -0.215 -3.754 -8.660 1.00 52.01 H new ATOM 0 HG23 ILE A 15 -0.464 -2.317 -7.641 1.00 52.01 H new ATOM 0 HD11 ILE A 15 -4.484 -1.098 -8.025 1.00 70.55 H new ATOM 0 HD12 ILE A 15 -4.243 -2.658 -8.848 1.00 70.55 H new ATOM 0 HD13 ILE A 15 -3.339 -2.287 -7.361 1.00 70.55 H new ATOM 241 N SER A 16 0.693 -3.242 -11.676 1.00 40.23 N ATOM 242 CA SER A 16 1.727 -4.219 -12.057 1.00 12.22 C ATOM 243 C SER A 16 3.040 -3.512 -12.397 1.00 70.01 C ATOM 244 O SER A 16 4.081 -3.854 -11.851 1.00 21.15 O ATOM 245 CB SER A 16 1.255 -5.076 -13.258 1.00 34.22 C ATOM 246 OG SER A 16 2.224 -6.053 -13.627 1.00 53.41 O ATOM 0 H SER A 16 -0.117 -3.245 -12.296 1.00 40.23 H new ATOM 0 HA SER A 16 1.898 -4.878 -11.206 1.00 12.22 H new ATOM 0 HB2 SER A 16 0.318 -5.572 -13.004 1.00 34.22 H new ATOM 0 HB3 SER A 16 1.052 -4.427 -14.110 1.00 34.22 H new ATOM 0 HG SER A 16 1.890 -6.574 -14.387 1.00 53.41 H new ATOM 252 N SER A 17 2.946 -2.490 -13.266 1.00 21.40 N ATOM 253 CA SER A 17 4.107 -1.718 -13.728 1.00 64.30 C ATOM 254 C SER A 17 4.861 -1.074 -12.537 1.00 75.24 C ATOM 255 O SER A 17 6.077 -1.252 -12.381 1.00 13.02 O ATOM 256 CB SER A 17 3.623 -0.641 -14.720 1.00 35.44 C ATOM 257 OG SER A 17 2.939 -1.222 -15.824 1.00 72.00 O ATOM 0 H SER A 17 2.061 -2.178 -13.666 1.00 21.40 H new ATOM 0 HA SER A 17 4.809 -2.386 -14.227 1.00 64.30 H new ATOM 0 HB2 SER A 17 2.962 0.057 -14.207 1.00 35.44 H new ATOM 0 HB3 SER A 17 4.476 -0.066 -15.080 1.00 35.44 H new ATOM 0 HG SER A 17 2.023 -1.449 -15.559 1.00 72.00 H new ATOM 263 N VAL A 18 4.099 -0.383 -11.671 1.00 12.13 N ATOM 264 CA VAL A 18 4.648 0.321 -10.497 1.00 44.01 C ATOM 265 C VAL A 18 5.224 -0.686 -9.477 1.00 4.53 C ATOM 266 O VAL A 18 6.280 -0.447 -8.889 1.00 61.44 O ATOM 267 CB VAL A 18 3.562 1.207 -9.794 1.00 11.54 C ATOM 268 CG1 VAL A 18 4.174 2.058 -8.662 1.00 62.41 C ATOM 269 CG2 VAL A 18 2.819 2.091 -10.814 1.00 33.44 C ATOM 0 H VAL A 18 3.087 -0.296 -11.764 1.00 12.13 H new ATOM 0 HA VAL A 18 5.445 0.971 -10.857 1.00 44.01 H new ATOM 0 HB VAL A 18 2.833 0.534 -9.342 1.00 11.54 H new ATOM 0 HG11 VAL A 18 3.393 2.660 -8.196 1.00 62.41 H new ATOM 0 HG12 VAL A 18 4.621 1.402 -7.915 1.00 62.41 H new ATOM 0 HG13 VAL A 18 4.941 2.714 -9.074 1.00 62.41 H new ATOM 0 HG21 VAL A 18 2.072 2.694 -10.297 1.00 33.44 H new ATOM 0 HG22 VAL A 18 3.532 2.747 -11.315 1.00 33.44 H new ATOM 0 HG23 VAL A 18 2.327 1.459 -11.553 1.00 33.44 H new ATOM 279 N GLN A 19 4.518 -1.820 -9.325 1.00 64.55 N ATOM 280 CA GLN A 19 4.886 -2.907 -8.403 1.00 53.53 C ATOM 281 C GLN A 19 6.264 -3.475 -8.774 1.00 53.31 C ATOM 282 O GLN A 19 7.153 -3.543 -7.934 1.00 15.40 O ATOM 283 CB GLN A 19 3.813 -4.030 -8.460 1.00 13.45 C ATOM 284 CG GLN A 19 4.051 -5.233 -7.534 1.00 1.31 C ATOM 285 CD GLN A 19 3.105 -6.417 -7.784 1.00 3.33 C ATOM 286 OE1 GLN A 19 3.488 -7.579 -7.604 1.00 13.43 O ATOM 287 NE2 GLN A 19 1.858 -6.146 -8.157 1.00 14.03 N ATOM 0 H GLN A 19 3.663 -2.009 -9.848 1.00 64.55 H new ATOM 0 HA GLN A 19 4.934 -2.510 -7.389 1.00 53.53 H new ATOM 0 HB2 GLN A 19 2.845 -3.593 -8.215 1.00 13.45 H new ATOM 0 HB3 GLN A 19 3.749 -4.393 -9.486 1.00 13.45 H new ATOM 0 HG2 GLN A 19 5.080 -5.573 -7.655 1.00 1.31 H new ATOM 0 HG3 GLN A 19 3.942 -4.908 -6.499 1.00 1.31 H new ATOM 0 HE21 GLN A 19 1.567 -5.179 -8.299 1.00 14.03 H new ATOM 0 HE22 GLN A 19 1.192 -6.905 -8.301 1.00 14.03 H new ATOM 296 N GLU A 20 6.424 -3.813 -10.067 1.00 25.24 N ATOM 297 CA GLU A 20 7.641 -4.451 -10.606 1.00 42.45 C ATOM 298 C GLU A 20 8.865 -3.533 -10.484 1.00 74.23 C ATOM 299 O GLU A 20 9.941 -3.977 -10.067 1.00 53.43 O ATOM 300 CB GLU A 20 7.409 -4.855 -12.090 1.00 51.02 C ATOM 301 CG GLU A 20 6.348 -5.961 -12.288 1.00 35.51 C ATOM 302 CD GLU A 20 5.980 -6.207 -13.762 1.00 5.24 C ATOM 303 OE1 GLU A 20 5.195 -5.416 -14.325 1.00 23.30 O ATOM 304 OE2 GLU A 20 6.469 -7.191 -14.365 1.00 40.33 O ATOM 0 H GLU A 20 5.707 -3.650 -10.773 1.00 25.24 H new ATOM 0 HA GLU A 20 7.845 -5.344 -10.016 1.00 42.45 H new ATOM 0 HB2 GLU A 20 7.106 -3.972 -12.652 1.00 51.02 H new ATOM 0 HB3 GLU A 20 8.354 -5.194 -12.514 1.00 51.02 H new ATOM 0 HG2 GLU A 20 6.719 -6.890 -11.855 1.00 35.51 H new ATOM 0 HG3 GLU A 20 5.447 -5.691 -11.738 1.00 35.51 H new ATOM 311 N ARG A 21 8.692 -2.243 -10.838 1.00 15.03 N ATOM 312 CA ARG A 21 9.807 -1.280 -10.833 1.00 0.44 C ATOM 313 C ARG A 21 10.195 -0.882 -9.392 1.00 74.43 C ATOM 314 O ARG A 21 11.381 -0.691 -9.101 1.00 62.02 O ATOM 315 CB ARG A 21 9.487 -0.051 -11.732 1.00 14.54 C ATOM 316 CG ARG A 21 8.317 0.848 -11.273 1.00 45.12 C ATOM 317 CD ARG A 21 7.846 1.815 -12.379 1.00 44.34 C ATOM 318 NE ARG A 21 7.380 1.100 -13.582 1.00 51.32 N ATOM 319 CZ ARG A 21 6.749 1.643 -14.640 1.00 14.32 C ATOM 320 NH1 ARG A 21 6.466 2.947 -14.698 1.00 74.22 N ATOM 321 NH2 ARG A 21 6.433 0.862 -15.663 1.00 52.23 N ATOM 0 H ARG A 21 7.797 -1.848 -11.128 1.00 15.03 H new ATOM 0 HA ARG A 21 10.682 -1.765 -11.266 1.00 0.44 H new ATOM 0 HB2 ARG A 21 10.384 0.564 -11.802 1.00 14.54 H new ATOM 0 HB3 ARG A 21 9.268 -0.411 -12.737 1.00 14.54 H new ATOM 0 HG2 ARG A 21 7.481 0.221 -10.963 1.00 45.12 H new ATOM 0 HG3 ARG A 21 8.625 1.423 -10.400 1.00 45.12 H new ATOM 0 HD2 ARG A 21 7.040 2.439 -11.994 1.00 44.34 H new ATOM 0 HD3 ARG A 21 8.665 2.482 -12.649 1.00 44.34 H new ATOM 0 HE ARG A 21 7.553 0.095 -13.616 1.00 51.32 H new ATOM 0 HH11 ARG A 21 6.729 3.561 -13.927 1.00 74.22 H new ATOM 0 HH12 ARG A 21 5.987 3.329 -15.513 1.00 74.22 H new ATOM 0 HH21 ARG A 21 6.668 -0.130 -15.639 1.00 52.23 H new ATOM 0 HH22 ARG A 21 5.955 1.253 -16.475 1.00 52.23 H new ATOM 335 N ALA A 22 9.203 -0.826 -8.480 1.00 24.32 N ATOM 336 CA ALA A 22 9.440 -0.501 -7.058 1.00 34.41 C ATOM 337 C ALA A 22 10.129 -1.672 -6.322 1.00 41.22 C ATOM 338 O ALA A 22 11.030 -1.455 -5.518 1.00 40.12 O ATOM 339 CB ALA A 22 8.120 -0.124 -6.373 1.00 30.40 C ATOM 0 H ALA A 22 8.224 -1.003 -8.705 1.00 24.32 H new ATOM 0 HA ALA A 22 10.113 0.355 -7.012 1.00 34.41 H new ATOM 0 HB1 ALA A 22 8.308 0.113 -5.326 1.00 30.40 H new ATOM 0 HB2 ALA A 22 7.687 0.744 -6.870 1.00 30.40 H new ATOM 0 HB3 ALA A 22 7.425 -0.961 -6.436 1.00 30.40 H new ATOM 345 N LYS A 23 9.697 -2.912 -6.631 1.00 75.15 N ATOM 346 CA LYS A 23 10.302 -4.152 -6.087 1.00 11.10 C ATOM 347 C LYS A 23 11.718 -4.386 -6.658 1.00 15.22 C ATOM 348 O LYS A 23 12.497 -5.144 -6.079 1.00 15.52 O ATOM 349 CB LYS A 23 9.399 -5.385 -6.398 1.00 4.52 C ATOM 350 CG LYS A 23 8.076 -5.438 -5.599 1.00 52.11 C ATOM 351 CD LYS A 23 7.095 -6.520 -6.115 1.00 12.31 C ATOM 352 CE LYS A 23 7.619 -7.960 -5.974 1.00 35.10 C ATOM 353 NZ LYS A 23 7.714 -8.382 -4.548 1.00 72.40 N ATOM 0 H LYS A 23 8.918 -3.085 -7.266 1.00 75.15 H new ATOM 0 HA LYS A 23 10.383 -4.030 -5.007 1.00 11.10 H new ATOM 0 HB2 LYS A 23 9.164 -5.387 -7.462 1.00 4.52 H new ATOM 0 HB3 LYS A 23 9.966 -6.293 -6.195 1.00 4.52 H new ATOM 0 HG2 LYS A 23 8.300 -5.631 -4.550 1.00 52.11 H new ATOM 0 HG3 LYS A 23 7.590 -4.463 -5.648 1.00 52.11 H new ATOM 0 HD2 LYS A 23 6.155 -6.432 -5.571 1.00 12.31 H new ATOM 0 HD3 LYS A 23 6.876 -6.326 -7.165 1.00 12.31 H new ATOM 0 HE2 LYS A 23 6.958 -8.641 -6.510 1.00 35.10 H new ATOM 0 HE3 LYS A 23 8.601 -8.036 -6.441 1.00 35.10 H new ATOM 0 HZ1 LYS A 23 8.071 -9.358 -4.498 1.00 72.40 H new ATOM 0 HZ2 LYS A 23 8.365 -7.749 -4.041 1.00 72.40 H new ATOM 0 HZ3 LYS A 23 6.773 -8.335 -4.109 1.00 72.40 H new ATOM 367 N HIS A 24 12.026 -3.776 -7.820 1.00 64.44 N ATOM 368 CA HIS A 24 13.366 -3.875 -8.439 1.00 13.24 C ATOM 369 C HIS A 24 14.373 -2.938 -7.738 1.00 63.24 C ATOM 370 O HIS A 24 15.550 -3.287 -7.589 1.00 21.44 O ATOM 371 CB HIS A 24 13.283 -3.572 -9.957 1.00 63.00 C ATOM 372 CG HIS A 24 14.553 -3.847 -10.728 1.00 65.54 C ATOM 373 ND1 HIS A 24 15.056 -2.996 -11.692 1.00 24.13 N ATOM 374 CD2 HIS A 24 15.407 -4.904 -10.691 1.00 0.32 C ATOM 375 CE1 HIS A 24 16.153 -3.515 -12.207 1.00 31.15 C ATOM 376 NE2 HIS A 24 16.389 -4.668 -11.616 1.00 71.43 N ATOM 0 H HIS A 24 11.365 -3.209 -8.350 1.00 64.44 H new ATOM 0 HA HIS A 24 13.727 -4.896 -8.314 1.00 13.24 H new ATOM 0 HB2 HIS A 24 12.477 -4.166 -10.388 1.00 63.00 H new ATOM 0 HB3 HIS A 24 13.013 -2.524 -10.090 1.00 63.00 H new ATOM 0 HD2 HIS A 24 15.326 -5.770 -10.051 1.00 0.32 H new ATOM 0 HE1 HIS A 24 16.757 -3.069 -12.983 1.00 31.15 H new ATOM 0 HE2 HIS A 24 17.176 -5.286 -11.815 1.00 71.43 H new ATOM 385 N ASN A 25 13.906 -1.747 -7.312 1.00 2.34 N ATOM 386 CA ASN A 25 14.756 -0.768 -6.589 1.00 74.31 C ATOM 387 C ASN A 25 14.892 -1.140 -5.102 1.00 71.01 C ATOM 388 O ASN A 25 15.985 -1.064 -4.527 1.00 44.12 O ATOM 389 CB ASN A 25 14.193 0.677 -6.723 1.00 24.03 C ATOM 390 CG ASN A 25 14.391 1.271 -8.121 1.00 53.51 C ATOM 391 OD1 ASN A 25 15.474 1.765 -8.443 1.00 54.13 O ATOM 392 ND2 ASN A 25 13.355 1.277 -8.941 1.00 32.41 N ATOM 0 H ASN A 25 12.945 -1.436 -7.454 1.00 2.34 H new ATOM 0 HA ASN A 25 15.744 -0.800 -7.048 1.00 74.31 H new ATOM 0 HB2 ASN A 25 13.129 0.670 -6.485 1.00 24.03 H new ATOM 0 HB3 ASN A 25 14.679 1.320 -5.989 1.00 24.03 H new ATOM 0 HD21 ASN A 25 13.440 1.697 -9.866 1.00 32.41 H new ATOM 0 HD22 ASN A 25 12.471 0.861 -8.649 1.00 32.41 H new ATOM 399 N TYR A 26 13.770 -1.529 -4.491 1.00 3.13 N ATOM 400 CA TYR A 26 13.687 -1.855 -3.054 1.00 71.51 C ATOM 401 C TYR A 26 13.804 -3.381 -2.838 1.00 33.03 C ATOM 402 O TYR A 26 13.560 -4.148 -3.769 1.00 62.52 O ATOM 403 CB TYR A 26 12.350 -1.294 -2.483 1.00 71.10 C ATOM 404 CG TYR A 26 12.279 0.245 -2.499 1.00 43.20 C ATOM 405 CD1 TYR A 26 12.929 0.998 -1.516 1.00 11.11 C ATOM 406 CD2 TYR A 26 11.591 0.945 -3.500 1.00 74.01 C ATOM 407 CE1 TYR A 26 12.894 2.381 -1.529 1.00 45.22 C ATOM 408 CE2 TYR A 26 11.551 2.329 -3.512 1.00 74.13 C ATOM 409 CZ TYR A 26 12.206 3.042 -2.528 1.00 15.51 C ATOM 410 OH TYR A 26 12.178 4.421 -2.541 1.00 0.12 O ATOM 0 H TYR A 26 12.881 -1.629 -4.980 1.00 3.13 H new ATOM 0 HA TYR A 26 14.516 -1.391 -2.520 1.00 71.51 H new ATOM 0 HB2 TYR A 26 11.519 -1.695 -3.063 1.00 71.10 H new ATOM 0 HB3 TYR A 26 12.224 -1.646 -1.459 1.00 71.10 H new ATOM 0 HD1 TYR A 26 13.469 0.490 -0.731 1.00 11.11 H new ATOM 0 HD2 TYR A 26 11.082 0.394 -4.277 1.00 74.01 H new ATOM 0 HE1 TYR A 26 13.403 2.943 -0.760 1.00 45.22 H new ATOM 0 HE2 TYR A 26 11.009 2.849 -4.288 1.00 74.13 H new ATOM 0 HH TYR A 26 12.575 4.748 -3.375 1.00 0.12 H new ATOM 420 N PRO A 27 14.172 -3.855 -1.606 1.00 43.14 N ATOM 421 CA PRO A 27 14.265 -5.314 -1.290 1.00 52.24 C ATOM 422 C PRO A 27 12.891 -5.984 -1.040 1.00 54.20 C ATOM 423 O PRO A 27 12.818 -7.009 -0.347 1.00 44.24 O ATOM 424 CB PRO A 27 15.120 -5.317 -0.003 1.00 35.10 C ATOM 425 CG PRO A 27 14.757 -4.034 0.684 1.00 23.53 C ATOM 426 CD PRO A 27 14.560 -3.021 -0.423 1.00 41.12 C ATOM 0 HA PRO A 27 14.684 -5.886 -2.118 1.00 52.24 H new ATOM 0 HB2 PRO A 27 14.895 -6.181 0.622 1.00 35.10 H new ATOM 0 HB3 PRO A 27 16.185 -5.358 -0.233 1.00 35.10 H new ATOM 0 HG2 PRO A 27 13.849 -4.150 1.276 1.00 23.53 H new ATOM 0 HG3 PRO A 27 15.545 -3.719 1.368 1.00 23.53 H new ATOM 0 HD2 PRO A 27 13.784 -2.299 -0.171 1.00 41.12 H new ATOM 0 HD3 PRO A 27 15.472 -2.455 -0.614 1.00 41.12 H new ATOM 434 N GLY A 28 11.826 -5.442 -1.664 1.00 73.10 N ATOM 435 CA GLY A 28 10.453 -5.774 -1.295 1.00 41.34 C ATOM 436 C GLY A 28 10.125 -5.297 0.118 1.00 21.23 C ATOM 437 O GLY A 28 10.697 -4.293 0.567 1.00 11.44 O ATOM 0 H GLY A 28 11.901 -4.770 -2.428 1.00 73.10 H new ATOM 0 HA2 GLY A 28 9.763 -5.317 -2.004 1.00 41.34 H new ATOM 0 HA3 GLY A 28 10.308 -6.852 -1.359 1.00 41.34 H new ATOM 441 N ARG A 29 9.207 -6.017 0.794 1.00 0.24 N ATOM 442 CA ARG A 29 8.772 -5.772 2.193 1.00 4.14 C ATOM 443 C ARG A 29 8.016 -4.433 2.308 1.00 14.02 C ATOM 444 O ARG A 29 6.792 -4.413 2.515 1.00 5.02 O ATOM 445 CB ARG A 29 9.967 -5.852 3.194 1.00 41.53 C ATOM 446 CG ARG A 29 9.559 -5.847 4.681 1.00 52.44 C ATOM 447 CD ARG A 29 10.767 -5.891 5.644 1.00 51.31 C ATOM 448 NE ARG A 29 10.349 -6.146 7.035 1.00 43.30 N ATOM 449 CZ ARG A 29 11.167 -6.212 8.101 1.00 4.35 C ATOM 450 NH1 ARG A 29 12.487 -6.030 7.983 1.00 34.42 N ATOM 451 NH2 ARG A 29 10.654 -6.493 9.290 1.00 10.13 N ATOM 0 H ARG A 29 8.729 -6.813 0.371 1.00 0.24 H new ATOM 0 HA ARG A 29 8.079 -6.567 2.468 1.00 4.14 H new ATOM 0 HB2 ARG A 29 10.535 -6.759 2.990 1.00 41.53 H new ATOM 0 HB3 ARG A 29 10.634 -5.010 3.011 1.00 41.53 H new ATOM 0 HG2 ARG A 29 8.971 -4.953 4.887 1.00 52.44 H new ATOM 0 HG3 ARG A 29 8.915 -6.704 4.877 1.00 52.44 H new ATOM 0 HD2 ARG A 29 11.459 -6.670 5.324 1.00 51.31 H new ATOM 0 HD3 ARG A 29 11.306 -4.945 5.594 1.00 51.31 H new ATOM 0 HE ARG A 29 9.353 -6.284 7.204 1.00 43.30 H new ATOM 0 HH11 ARG A 29 12.895 -5.836 7.069 1.00 34.42 H new ATOM 0 HH12 ARG A 29 13.085 -6.085 8.807 1.00 34.42 H new ATOM 0 HH21 ARG A 29 9.652 -6.656 9.387 1.00 10.13 H new ATOM 0 HH22 ARG A 29 11.261 -6.547 10.108 1.00 10.13 H new ATOM 465 N TYR A 30 8.778 -3.328 2.141 1.00 54.24 N ATOM 466 CA TYR A 30 8.267 -1.946 2.001 1.00 72.22 C ATOM 467 C TYR A 30 7.176 -1.862 0.924 1.00 53.45 C ATOM 468 O TYR A 30 6.246 -1.079 1.041 1.00 21.02 O ATOM 469 CB TYR A 30 9.438 -0.994 1.641 1.00 42.33 C ATOM 470 CG TYR A 30 10.526 -0.900 2.719 1.00 62.44 C ATOM 471 CD1 TYR A 30 11.605 -1.792 2.746 1.00 44.14 C ATOM 472 CD2 TYR A 30 10.466 0.073 3.722 1.00 45.03 C ATOM 473 CE1 TYR A 30 12.574 -1.715 3.724 1.00 50.22 C ATOM 474 CE2 TYR A 30 11.433 0.152 4.704 1.00 70.33 C ATOM 475 CZ TYR A 30 12.483 -0.746 4.702 1.00 31.11 C ATOM 476 OH TYR A 30 13.444 -0.672 5.685 1.00 22.11 O ATOM 0 H TYR A 30 9.796 -3.375 2.099 1.00 54.24 H new ATOM 0 HA TYR A 30 7.826 -1.645 2.951 1.00 72.22 H new ATOM 0 HB2 TYR A 30 9.893 -1.332 0.710 1.00 42.33 H new ATOM 0 HB3 TYR A 30 9.038 0.003 1.457 1.00 42.33 H new ATOM 0 HD1 TYR A 30 11.680 -2.555 1.986 1.00 44.14 H new ATOM 0 HD2 TYR A 30 9.647 0.777 3.728 1.00 45.03 H new ATOM 0 HE1 TYR A 30 13.401 -2.410 3.724 1.00 50.22 H new ATOM 0 HE2 TYR A 30 11.369 0.911 5.469 1.00 70.33 H new ATOM 0 HH TYR A 30 13.233 0.066 6.294 1.00 22.11 H new ATOM 486 N ILE A 31 7.321 -2.674 -0.132 1.00 45.42 N ATOM 487 CA ILE A 31 6.272 -2.879 -1.138 1.00 24.30 C ATOM 488 C ILE A 31 5.595 -4.226 -0.828 1.00 31.43 C ATOM 489 O ILE A 31 6.263 -5.271 -0.738 1.00 53.42 O ATOM 490 CB ILE A 31 6.825 -2.858 -2.627 1.00 31.10 C ATOM 491 CG1 ILE A 31 7.263 -1.415 -3.074 1.00 5.43 C ATOM 492 CG2 ILE A 31 5.785 -3.432 -3.628 1.00 22.53 C ATOM 493 CD1 ILE A 31 8.480 -0.837 -2.370 1.00 25.41 C ATOM 0 H ILE A 31 8.171 -3.208 -0.312 1.00 45.42 H new ATOM 0 HA ILE A 31 5.561 -2.055 -1.080 1.00 24.30 H new ATOM 0 HB ILE A 31 7.708 -3.497 -2.637 1.00 31.10 H new ATOM 0 HG12 ILE A 31 7.463 -1.434 -4.145 1.00 5.43 H new ATOM 0 HG13 ILE A 31 6.423 -0.738 -2.918 1.00 5.43 H new ATOM 0 HG21 ILE A 31 6.196 -3.402 -4.637 1.00 22.53 H new ATOM 0 HG22 ILE A 31 5.553 -4.463 -3.361 1.00 22.53 H new ATOM 0 HG23 ILE A 31 4.875 -2.834 -3.590 1.00 22.53 H new ATOM 0 HD11 ILE A 31 8.687 0.160 -2.760 1.00 25.41 H new ATOM 0 HD12 ILE A 31 8.285 -0.775 -1.299 1.00 25.41 H new ATOM 0 HD13 ILE A 31 9.342 -1.481 -2.545 1.00 25.41 H new ATOM 505 N ARG A 32 4.280 -4.168 -0.621 1.00 61.05 N ATOM 506 CA ARG A 32 3.425 -5.318 -0.308 1.00 60.44 C ATOM 507 C ARG A 32 2.148 -5.204 -1.153 1.00 55.20 C ATOM 508 O ARG A 32 1.721 -4.098 -1.467 1.00 34.52 O ATOM 509 CB ARG A 32 3.090 -5.280 1.207 1.00 54.23 C ATOM 510 CG ARG A 32 2.127 -6.380 1.708 1.00 33.42 C ATOM 511 CD ARG A 32 2.686 -7.803 1.553 1.00 1.34 C ATOM 512 NE ARG A 32 1.761 -8.812 2.101 1.00 52.42 N ATOM 513 CZ ARG A 32 2.133 -9.902 2.796 1.00 53.20 C ATOM 514 NH1 ARG A 32 3.418 -10.157 3.038 1.00 4.22 N ATOM 515 NH2 ARG A 32 1.216 -10.730 3.262 1.00 61.03 N ATOM 0 H ARG A 32 3.761 -3.291 -0.668 1.00 61.05 H new ATOM 0 HA ARG A 32 3.922 -6.261 -0.535 1.00 60.44 H new ATOM 0 HB2 ARG A 32 4.021 -5.355 1.768 1.00 54.23 H new ATOM 0 HB3 ARG A 32 2.655 -4.308 1.440 1.00 54.23 H new ATOM 0 HG2 ARG A 32 1.899 -6.201 2.759 1.00 33.42 H new ATOM 0 HG3 ARG A 32 1.187 -6.306 1.160 1.00 33.42 H new ATOM 0 HD2 ARG A 32 2.868 -8.010 0.498 1.00 1.34 H new ATOM 0 HD3 ARG A 32 3.647 -7.875 2.063 1.00 1.34 H new ATOM 0 HE ARG A 32 0.763 -8.673 1.941 1.00 52.42 H new ATOM 0 HH11 ARG A 32 4.138 -9.521 2.695 1.00 4.22 H new ATOM 0 HH12 ARG A 32 3.682 -10.988 3.567 1.00 4.22 H new ATOM 0 HH21 ARG A 32 0.227 -10.543 3.095 1.00 61.03 H new ATOM 0 HH22 ARG A 32 1.496 -11.557 3.789 1.00 61.03 H new ATOM 529 N THR A 33 1.554 -6.339 -1.547 1.00 33.32 N ATOM 530 CA THR A 33 0.300 -6.355 -2.325 1.00 1.34 C ATOM 531 C THR A 33 -0.849 -6.997 -1.521 1.00 53.24 C ATOM 532 O THR A 33 -0.759 -8.159 -1.114 1.00 14.12 O ATOM 533 CB THR A 33 0.511 -7.110 -3.677 1.00 40.45 C ATOM 534 OG1 THR A 33 1.101 -8.400 -3.428 1.00 73.50 O ATOM 535 CG2 THR A 33 1.415 -6.312 -4.637 1.00 51.14 C ATOM 0 H THR A 33 1.923 -7.267 -1.339 1.00 33.32 H new ATOM 0 HA THR A 33 0.022 -5.323 -2.538 1.00 1.34 H new ATOM 0 HB THR A 33 -0.465 -7.229 -4.147 1.00 40.45 H new ATOM 0 HG1 THR A 33 0.834 -8.716 -2.540 1.00 73.50 H new ATOM 0 HG21 THR A 33 1.539 -6.868 -5.566 1.00 51.14 H new ATOM 0 HG22 THR A 33 0.956 -5.346 -4.850 1.00 51.14 H new ATOM 0 HG23 THR A 33 2.390 -6.157 -4.174 1.00 51.14 H new ATOM 543 N ALA A 34 -1.931 -6.223 -1.320 1.00 55.33 N ATOM 544 CA ALA A 34 -3.156 -6.715 -0.680 1.00 73.44 C ATOM 545 C ALA A 34 -4.062 -7.291 -1.768 1.00 2.52 C ATOM 546 O ALA A 34 -4.663 -6.548 -2.553 1.00 44.12 O ATOM 547 CB ALA A 34 -3.876 -5.604 0.098 1.00 22.04 C ATOM 0 H ALA A 34 -1.977 -5.242 -1.597 1.00 55.33 H new ATOM 0 HA ALA A 34 -2.900 -7.487 0.046 1.00 73.44 H new ATOM 0 HB1 ALA A 34 -4.778 -6.008 0.558 1.00 22.04 H new ATOM 0 HB2 ALA A 34 -3.216 -5.217 0.874 1.00 22.04 H new ATOM 0 HB3 ALA A 34 -4.146 -4.798 -0.584 1.00 22.04 H new ATOM 553 N THR A 35 -4.079 -8.620 -1.860 1.00 13.35 N ATOM 554 CA THR A 35 -4.995 -9.351 -2.745 1.00 51.04 C ATOM 555 C THR A 35 -6.222 -9.845 -1.948 1.00 4.10 C ATOM 556 O THR A 35 -7.205 -10.319 -2.525 1.00 1.42 O ATOM 557 CB THR A 35 -4.252 -10.537 -3.448 1.00 43.12 C ATOM 558 OG1 THR A 35 -5.104 -11.144 -4.434 1.00 42.04 O ATOM 559 CG2 THR A 35 -3.767 -11.604 -2.442 1.00 73.03 C ATOM 0 H THR A 35 -3.458 -9.225 -1.323 1.00 13.35 H new ATOM 0 HA THR A 35 -5.348 -8.676 -3.525 1.00 51.04 H new ATOM 0 HB THR A 35 -3.370 -10.120 -3.933 1.00 43.12 H new ATOM 0 HG1 THR A 35 -6.042 -10.994 -4.193 1.00 42.04 H new ATOM 0 HG21 THR A 35 -3.258 -12.405 -2.978 1.00 73.03 H new ATOM 0 HG22 THR A 35 -3.077 -11.148 -1.732 1.00 73.03 H new ATOM 0 HG23 THR A 35 -4.623 -12.013 -1.905 1.00 73.03 H new ATOM 567 N SER A 36 -6.164 -9.682 -0.616 1.00 2.51 N ATOM 568 CA SER A 36 -7.199 -10.146 0.314 1.00 61.43 C ATOM 569 C SER A 36 -7.196 -9.272 1.577 1.00 22.34 C ATOM 570 O SER A 36 -6.169 -8.663 1.921 1.00 43.14 O ATOM 571 CB SER A 36 -6.933 -11.630 0.690 1.00 42.35 C ATOM 572 OG SER A 36 -7.860 -12.113 1.647 1.00 23.14 O ATOM 0 H SER A 36 -5.384 -9.217 -0.151 1.00 2.51 H new ATOM 0 HA SER A 36 -8.175 -10.069 -0.164 1.00 61.43 H new ATOM 0 HB2 SER A 36 -6.986 -12.246 -0.208 1.00 42.35 H new ATOM 0 HB3 SER A 36 -5.922 -11.728 1.085 1.00 42.35 H new ATOM 0 HG SER A 36 -7.658 -13.049 1.854 1.00 23.14 H new ATOM 578 N SER A 37 -8.345 -9.227 2.259 1.00 10.24 N ATOM 579 CA SER A 37 -8.461 -8.621 3.588 1.00 34.40 C ATOM 580 C SER A 37 -7.766 -9.491 4.649 1.00 42.40 C ATOM 581 O SER A 37 -7.333 -8.978 5.679 1.00 31.45 O ATOM 582 CB SER A 37 -9.941 -8.382 3.930 1.00 3.41 C ATOM 583 OG SER A 37 -10.731 -9.525 3.646 1.00 33.41 O ATOM 0 H SER A 37 -9.221 -9.610 1.904 1.00 10.24 H new ATOM 0 HA SER A 37 -7.955 -7.655 3.582 1.00 34.40 H new ATOM 0 HB2 SER A 37 -10.035 -8.127 4.985 1.00 3.41 H new ATOM 0 HB3 SER A 37 -10.314 -7.530 3.361 1.00 3.41 H new ATOM 0 HG SER A 37 -11.666 -9.342 3.876 1.00 33.41 H new ATOM 589 N GLN A 38 -7.651 -10.808 4.386 1.00 31.12 N ATOM 590 CA GLN A 38 -6.902 -11.732 5.259 1.00 12.44 C ATOM 591 C GLN A 38 -5.388 -11.448 5.157 1.00 23.11 C ATOM 592 O GLN A 38 -4.665 -11.513 6.161 1.00 51.23 O ATOM 593 CB GLN A 38 -7.208 -13.204 4.890 1.00 2.34 C ATOM 594 CG GLN A 38 -8.703 -13.589 4.909 1.00 21.23 C ATOM 595 CD GLN A 38 -9.400 -13.300 6.236 1.00 55.15 C ATOM 596 OE1 GLN A 38 -9.416 -14.132 7.150 1.00 2.32 O ATOM 597 NE2 GLN A 38 -9.998 -12.119 6.349 1.00 53.31 N ATOM 0 H GLN A 38 -8.070 -11.257 3.571 1.00 31.12 H new ATOM 0 HA GLN A 38 -7.219 -11.570 6.289 1.00 12.44 H new ATOM 0 HB2 GLN A 38 -6.811 -13.402 3.895 1.00 2.34 H new ATOM 0 HB3 GLN A 38 -6.673 -13.854 5.582 1.00 2.34 H new ATOM 0 HG2 GLN A 38 -9.217 -13.048 4.115 1.00 21.23 H new ATOM 0 HG3 GLN A 38 -8.797 -14.651 4.684 1.00 21.23 H new ATOM 0 HE21 GLN A 38 -9.966 -11.455 5.575 1.00 53.31 H new ATOM 0 HE22 GLN A 38 -10.489 -11.876 7.209 1.00 53.31 H new ATOM 606 N ASP A 39 -4.926 -11.119 3.919 1.00 72.45 N ATOM 607 CA ASP A 39 -3.542 -10.659 3.658 1.00 34.41 C ATOM 608 C ASP A 39 -3.263 -9.366 4.442 1.00 24.40 C ATOM 609 O ASP A 39 -2.222 -9.235 5.086 1.00 63.00 O ATOM 610 CB ASP A 39 -3.327 -10.401 2.136 1.00 24.04 C ATOM 611 CG ASP A 39 -1.849 -10.149 1.773 1.00 24.44 C ATOM 612 OD1 ASP A 39 -1.101 -11.134 1.598 1.00 72.10 O ATOM 613 OD2 ASP A 39 -1.422 -8.982 1.668 1.00 73.54 O ATOM 0 H ASP A 39 -5.504 -11.167 3.080 1.00 72.45 H new ATOM 0 HA ASP A 39 -2.853 -11.439 3.983 1.00 34.41 H new ATOM 0 HB2 ASP A 39 -3.693 -11.259 1.572 1.00 24.04 H new ATOM 0 HB3 ASP A 39 -3.923 -9.541 1.831 1.00 24.04 H new ATOM 618 N ILE A 40 -4.248 -8.441 4.372 1.00 42.54 N ATOM 619 CA ILE A 40 -4.241 -7.143 5.072 1.00 34.54 C ATOM 620 C ILE A 40 -4.000 -7.309 6.581 1.00 23.02 C ATOM 621 O ILE A 40 -3.128 -6.628 7.142 1.00 15.22 O ATOM 622 CB ILE A 40 -5.589 -6.368 4.779 1.00 4.43 C ATOM 623 CG1 ILE A 40 -5.542 -5.756 3.338 1.00 62.54 C ATOM 624 CG2 ILE A 40 -5.931 -5.310 5.854 1.00 13.00 C ATOM 625 CD1 ILE A 40 -6.824 -5.103 2.854 1.00 73.24 C ATOM 0 H ILE A 40 -5.089 -8.584 3.812 1.00 42.54 H new ATOM 0 HA ILE A 40 -3.410 -6.551 4.690 1.00 34.54 H new ATOM 0 HB ILE A 40 -6.404 -7.090 4.828 1.00 4.43 H new ATOM 0 HG12 ILE A 40 -4.744 -5.014 3.305 1.00 62.54 H new ATOM 0 HG13 ILE A 40 -5.272 -6.546 2.637 1.00 62.54 H new ATOM 0 HG21 ILE A 40 -6.867 -4.815 5.593 1.00 13.00 H new ATOM 0 HG22 ILE A 40 -6.036 -5.797 6.823 1.00 13.00 H new ATOM 0 HG23 ILE A 40 -5.132 -4.571 5.904 1.00 13.00 H new ATOM 0 HD11 ILE A 40 -6.676 -4.715 1.846 1.00 73.24 H new ATOM 0 HD12 ILE A 40 -7.627 -5.840 2.845 1.00 73.24 H new ATOM 0 HD13 ILE A 40 -7.091 -4.285 3.523 1.00 73.24 H new ATOM 637 N ARG A 41 -4.741 -8.252 7.217 1.00 51.30 N ATOM 638 CA ARG A 41 -4.567 -8.564 8.652 1.00 44.13 C ATOM 639 C ARG A 41 -3.082 -8.839 8.973 1.00 45.32 C ATOM 640 O ARG A 41 -2.530 -8.214 9.877 1.00 61.15 O ATOM 641 CB ARG A 41 -5.467 -9.765 9.095 1.00 72.10 C ATOM 642 CG ARG A 41 -6.865 -9.374 9.652 1.00 3.44 C ATOM 643 CD ARG A 41 -7.707 -8.541 8.684 1.00 3.22 C ATOM 644 NE ARG A 41 -9.027 -8.193 9.239 1.00 33.12 N ATOM 645 CZ ARG A 41 -10.144 -8.018 8.521 1.00 25.41 C ATOM 646 NH1 ARG A 41 -10.134 -8.164 7.204 1.00 5.35 N ATOM 647 NH2 ARG A 41 -11.273 -7.682 9.118 1.00 2.13 N ATOM 0 H ARG A 41 -5.463 -8.807 6.756 1.00 51.30 H new ATOM 0 HA ARG A 41 -4.887 -7.691 9.221 1.00 44.13 H new ATOM 0 HB2 ARG A 41 -5.606 -10.428 8.241 1.00 72.10 H new ATOM 0 HB3 ARG A 41 -4.936 -10.334 9.858 1.00 72.10 H new ATOM 0 HG2 ARG A 41 -7.412 -10.283 9.904 1.00 3.44 H new ATOM 0 HG3 ARG A 41 -6.733 -8.814 10.578 1.00 3.44 H new ATOM 0 HD2 ARG A 41 -7.169 -7.626 8.434 1.00 3.22 H new ATOM 0 HD3 ARG A 41 -7.842 -9.095 7.755 1.00 3.22 H new ATOM 0 HE ARG A 41 -9.095 -8.076 10.250 1.00 33.12 H new ATOM 0 HH11 ARG A 41 -9.268 -8.413 6.725 1.00 5.35 H new ATOM 0 HH12 ARG A 41 -10.992 -8.028 6.669 1.00 5.35 H new ATOM 0 HH21 ARG A 41 -11.297 -7.555 10.130 1.00 2.13 H new ATOM 0 HH22 ARG A 41 -12.121 -7.550 8.567 1.00 2.13 H new ATOM 661 N ASP A 42 -2.437 -9.696 8.149 1.00 40.55 N ATOM 662 CA ASP A 42 -1.010 -10.055 8.307 1.00 45.32 C ATOM 663 C ASP A 42 -0.087 -8.824 8.141 1.00 72.51 C ATOM 664 O ASP A 42 0.930 -8.715 8.839 1.00 3.44 O ATOM 665 CB ASP A 42 -0.616 -11.165 7.293 1.00 12.50 C ATOM 666 CG ASP A 42 0.864 -11.602 7.394 1.00 61.45 C ATOM 667 OD1 ASP A 42 1.249 -12.197 8.427 1.00 70.41 O ATOM 668 OD2 ASP A 42 1.644 -11.358 6.442 1.00 22.01 O ATOM 0 H ASP A 42 -2.889 -10.156 7.359 1.00 40.55 H new ATOM 0 HA ASP A 42 -0.876 -10.434 9.320 1.00 45.32 H new ATOM 0 HB2 ASP A 42 -1.254 -12.034 7.453 1.00 12.50 H new ATOM 0 HB3 ASP A 42 -0.812 -10.808 6.282 1.00 12.50 H new ATOM 673 N ILE A 43 -0.471 -7.891 7.237 1.00 52.32 N ATOM 674 CA ILE A 43 0.297 -6.656 6.959 1.00 44.51 C ATOM 675 C ILE A 43 0.393 -5.777 8.227 1.00 12.52 C ATOM 676 O ILE A 43 1.487 -5.404 8.675 1.00 1.23 O ATOM 677 CB ILE A 43 -0.374 -5.843 5.780 1.00 61.04 C ATOM 678 CG1 ILE A 43 -0.373 -6.667 4.450 1.00 13.42 C ATOM 679 CG2 ILE A 43 0.288 -4.464 5.579 1.00 24.11 C ATOM 680 CD1 ILE A 43 -1.136 -6.017 3.301 1.00 23.31 C ATOM 0 H ILE A 43 -1.322 -7.975 6.681 1.00 52.32 H new ATOM 0 HA ILE A 43 1.305 -6.941 6.658 1.00 44.51 H new ATOM 0 HB ILE A 43 -1.411 -5.665 6.065 1.00 61.04 H new ATOM 0 HG12 ILE A 43 0.659 -6.828 4.138 1.00 13.42 H new ATOM 0 HG13 ILE A 43 -0.804 -7.649 4.646 1.00 13.42 H new ATOM 0 HG21 ILE A 43 -0.204 -3.940 4.760 1.00 24.11 H new ATOM 0 HG22 ILE A 43 0.193 -3.878 6.493 1.00 24.11 H new ATOM 0 HG23 ILE A 43 1.343 -4.598 5.342 1.00 24.11 H new ATOM 0 HD11 ILE A 43 -1.082 -6.657 2.420 1.00 23.31 H new ATOM 0 HD12 ILE A 43 -2.179 -5.881 3.588 1.00 23.31 H new ATOM 0 HD13 ILE A 43 -0.693 -5.048 3.072 1.00 23.31 H new ATOM 692 N ILE A 44 -0.777 -5.505 8.809 1.00 2.42 N ATOM 693 CA ILE A 44 -0.925 -4.607 9.960 1.00 2.45 C ATOM 694 C ILE A 44 -0.416 -5.279 11.259 1.00 44.04 C ATOM 695 O ILE A 44 0.113 -4.592 12.136 1.00 13.32 O ATOM 696 CB ILE A 44 -2.422 -4.129 10.066 1.00 13.30 C ATOM 697 CG1 ILE A 44 -2.829 -3.409 8.731 1.00 32.21 C ATOM 698 CG2 ILE A 44 -2.645 -3.200 11.283 1.00 53.52 C ATOM 699 CD1 ILE A 44 -4.278 -2.977 8.638 1.00 40.25 C ATOM 0 H ILE A 44 -1.660 -5.906 8.492 1.00 2.42 H new ATOM 0 HA ILE A 44 -0.305 -3.723 9.815 1.00 2.45 H new ATOM 0 HB ILE A 44 -3.055 -5.003 10.217 1.00 13.30 H new ATOM 0 HG12 ILE A 44 -2.197 -2.530 8.606 1.00 32.21 H new ATOM 0 HG13 ILE A 44 -2.613 -4.078 7.898 1.00 32.21 H new ATOM 0 HG21 ILE A 44 -3.690 -2.893 11.320 1.00 53.52 H new ATOM 0 HG22 ILE A 44 -2.391 -3.733 12.199 1.00 53.52 H new ATOM 0 HG23 ILE A 44 -2.011 -2.318 11.189 1.00 53.52 H new ATOM 0 HD11 ILE A 44 -4.452 -2.491 7.678 1.00 40.25 H new ATOM 0 HD12 ILE A 44 -4.924 -3.850 8.725 1.00 40.25 H new ATOM 0 HD13 ILE A 44 -4.502 -2.278 9.444 1.00 40.25 H new ATOM 711 N LYS A 45 -0.519 -6.633 11.329 1.00 0.21 N ATOM 712 CA LYS A 45 0.089 -7.442 12.415 1.00 14.41 C ATOM 713 C LYS A 45 1.612 -7.222 12.450 1.00 72.54 C ATOM 714 O LYS A 45 2.193 -7.029 13.525 1.00 13.23 O ATOM 715 CB LYS A 45 -0.205 -8.960 12.232 1.00 71.25 C ATOM 716 CG LYS A 45 -1.640 -9.421 12.581 1.00 25.12 C ATOM 717 CD LYS A 45 -1.980 -10.808 11.971 1.00 62.41 C ATOM 718 CE LYS A 45 -1.041 -11.945 12.417 1.00 23.31 C ATOM 719 NZ LYS A 45 -1.235 -12.303 13.845 1.00 33.34 N ATOM 0 H LYS A 45 -1.023 -7.189 10.638 1.00 0.21 H new ATOM 0 HA LYS A 45 -0.356 -7.116 13.355 1.00 14.41 H new ATOM 0 HB2 LYS A 45 -0.001 -9.227 11.195 1.00 71.25 H new ATOM 0 HB3 LYS A 45 0.496 -9.522 12.849 1.00 71.25 H new ATOM 0 HG2 LYS A 45 -1.751 -9.466 13.664 1.00 25.12 H new ATOM 0 HG3 LYS A 45 -2.355 -8.682 12.218 1.00 25.12 H new ATOM 0 HD2 LYS A 45 -3.003 -11.070 12.242 1.00 62.41 H new ATOM 0 HD3 LYS A 45 -1.948 -10.731 10.884 1.00 62.41 H new ATOM 0 HE2 LYS A 45 -1.217 -12.824 11.796 1.00 23.31 H new ATOM 0 HE3 LYS A 45 -0.006 -11.643 12.257 1.00 23.31 H new ATOM 0 HZ1 LYS A 45 -0.583 -13.072 14.102 1.00 33.34 H new ATOM 0 HZ2 LYS A 45 -1.042 -11.472 14.440 1.00 33.34 H new ATOM 0 HZ3 LYS A 45 -2.215 -12.616 13.994 1.00 33.34 H new ATOM 733 N SER A 46 2.241 -7.240 11.256 1.00 24.24 N ATOM 734 CA SER A 46 3.682 -7.003 11.107 1.00 12.45 C ATOM 735 C SER A 46 4.040 -5.571 11.558 1.00 4.31 C ATOM 736 O SER A 46 4.934 -5.387 12.382 1.00 44.12 O ATOM 737 CB SER A 46 4.107 -7.248 9.634 1.00 70.35 C ATOM 738 OG SER A 46 3.746 -8.559 9.207 1.00 15.33 O ATOM 0 H SER A 46 1.761 -7.419 10.374 1.00 24.24 H new ATOM 0 HA SER A 46 4.227 -7.700 11.743 1.00 12.45 H new ATOM 0 HB2 SER A 46 3.634 -6.509 8.988 1.00 70.35 H new ATOM 0 HB3 SER A 46 5.184 -7.114 9.536 1.00 70.35 H new ATOM 0 HG SER A 46 2.777 -8.603 9.068 1.00 15.33 H new ATOM 744 N MET A 47 3.246 -4.581 11.093 1.00 15.04 N ATOM 745 CA MET A 47 3.523 -3.142 11.321 1.00 63.13 C ATOM 746 C MET A 47 3.448 -2.734 12.813 1.00 64.44 C ATOM 747 O MET A 47 3.923 -1.651 13.179 1.00 3.44 O ATOM 748 CB MET A 47 2.554 -2.267 10.478 1.00 72.24 C ATOM 749 CG MET A 47 2.766 -2.383 8.961 1.00 13.33 C ATOM 750 SD MET A 47 4.440 -1.925 8.450 1.00 51.41 S ATOM 751 CE MET A 47 4.518 -0.189 8.906 1.00 22.31 C ATOM 0 H MET A 47 2.399 -4.754 10.552 1.00 15.04 H new ATOM 0 HA MET A 47 4.551 -2.970 11.001 1.00 63.13 H new ATOM 0 HB2 MET A 47 1.528 -2.549 10.714 1.00 72.24 H new ATOM 0 HB3 MET A 47 2.673 -1.224 10.772 1.00 72.24 H new ATOM 0 HG2 MET A 47 2.563 -3.407 8.648 1.00 13.33 H new ATOM 0 HG3 MET A 47 2.047 -1.744 8.448 1.00 13.33 H new ATOM 0 HE1 MET A 47 5.149 0.346 8.196 1.00 22.31 H new ATOM 0 HE2 MET A 47 3.514 0.236 8.892 1.00 22.31 H new ATOM 0 HE3 MET A 47 4.938 -0.094 9.907 1.00 22.31 H new ATOM 761 N LYS A 48 2.864 -3.603 13.665 1.00 72.12 N ATOM 762 CA LYS A 48 2.787 -3.373 15.123 1.00 10.23 C ATOM 763 C LYS A 48 4.193 -3.410 15.754 1.00 2.43 C ATOM 764 O LYS A 48 4.557 -2.534 16.545 1.00 24.21 O ATOM 765 CB LYS A 48 1.882 -4.437 15.792 1.00 1.20 C ATOM 766 CG LYS A 48 0.436 -4.461 15.267 1.00 1.12 C ATOM 767 CD LYS A 48 -0.463 -5.466 16.025 1.00 22.34 C ATOM 768 CE LYS A 48 -1.844 -5.621 15.378 1.00 24.13 C ATOM 769 NZ LYS A 48 -2.775 -6.409 16.230 1.00 74.54 N ATOM 0 H LYS A 48 2.435 -4.478 13.364 1.00 72.12 H new ATOM 0 HA LYS A 48 2.355 -2.386 15.288 1.00 10.23 H new ATOM 0 HB2 LYS A 48 2.327 -5.421 15.642 1.00 1.20 H new ATOM 0 HB3 LYS A 48 1.863 -4.256 16.867 1.00 1.20 H new ATOM 0 HG2 LYS A 48 0.007 -3.462 15.352 1.00 1.12 H new ATOM 0 HG3 LYS A 48 0.444 -4.716 14.207 1.00 1.12 H new ATOM 0 HD2 LYS A 48 0.031 -6.437 16.058 1.00 22.34 H new ATOM 0 HD3 LYS A 48 -0.584 -5.135 17.056 1.00 22.34 H new ATOM 0 HE2 LYS A 48 -2.270 -4.635 15.192 1.00 24.13 H new ATOM 0 HE3 LYS A 48 -1.738 -6.110 14.410 1.00 24.13 H new ATOM 0 HZ1 LYS A 48 -3.398 -6.981 15.626 1.00 74.54 H new ATOM 0 HZ2 LYS A 48 -2.228 -7.035 16.855 1.00 74.54 H new ATOM 0 HZ3 LYS A 48 -3.350 -5.762 16.806 1.00 74.54 H new ATOM 783 N ASP A 49 4.969 -4.435 15.374 1.00 71.03 N ATOM 784 CA ASP A 49 6.334 -4.668 15.884 1.00 33.33 C ATOM 785 C ASP A 49 7.380 -3.967 15.006 1.00 2.33 C ATOM 786 O ASP A 49 8.291 -3.302 15.518 1.00 45.33 O ATOM 787 CB ASP A 49 6.610 -6.196 15.923 1.00 64.45 C ATOM 788 CG ASP A 49 8.080 -6.556 16.238 1.00 20.34 C ATOM 789 OD1 ASP A 49 8.511 -6.375 17.398 1.00 23.42 O ATOM 790 OD2 ASP A 49 8.809 -7.029 15.329 1.00 2.41 O ATOM 0 H ASP A 49 4.666 -5.135 14.697 1.00 71.03 H new ATOM 0 HA ASP A 49 6.408 -4.252 16.889 1.00 33.33 H new ATOM 0 HB2 ASP A 49 5.965 -6.653 16.673 1.00 64.45 H new ATOM 0 HB3 ASP A 49 6.337 -6.630 14.961 1.00 64.45 H new ATOM 795 N ASN A 50 7.212 -4.118 13.678 1.00 75.11 N ATOM 796 CA ASN A 50 8.204 -3.702 12.670 1.00 45.12 C ATOM 797 C ASN A 50 8.411 -2.180 12.697 1.00 31.24 C ATOM 798 O ASN A 50 9.451 -1.701 13.160 1.00 65.12 O ATOM 799 CB ASN A 50 7.764 -4.167 11.246 1.00 44.34 C ATOM 800 CG ASN A 50 7.777 -5.690 10.997 1.00 34.40 C ATOM 801 OD1 ASN A 50 7.910 -6.124 9.850 1.00 63.14 O ATOM 802 ND2 ASN A 50 7.643 -6.517 12.039 1.00 1.12 N ATOM 0 H ASN A 50 6.375 -4.536 13.272 1.00 75.11 H new ATOM 0 HA ASN A 50 9.154 -4.178 12.914 1.00 45.12 H new ATOM 0 HB2 ASN A 50 6.756 -3.797 11.060 1.00 44.34 H new ATOM 0 HB3 ASN A 50 8.417 -3.694 10.513 1.00 44.34 H new ATOM 0 HD21 ASN A 50 7.650 -7.526 11.893 1.00 1.12 H new ATOM 0 HD22 ASN A 50 7.534 -6.138 12.980 1.00 1.12 H new ATOM 809 N GLY A 51 7.393 -1.432 12.244 1.00 11.52 N ATOM 810 CA GLY A 51 7.515 0.017 12.062 1.00 45.41 C ATOM 811 C GLY A 51 8.001 0.375 10.667 1.00 24.52 C ATOM 812 O GLY A 51 7.783 -0.403 9.730 1.00 53.13 O ATOM 0 H GLY A 51 6.478 -1.809 11.998 1.00 11.52 H new ATOM 0 HA2 GLY A 51 6.548 0.488 12.241 1.00 45.41 H new ATOM 0 HA3 GLY A 51 8.208 0.419 12.802 1.00 45.41 H new ATOM 816 N LYS A 52 8.666 1.553 10.537 1.00 3.12 N ATOM 817 CA LYS A 52 9.165 2.092 9.243 1.00 74.41 C ATOM 818 C LYS A 52 7.993 2.477 8.285 1.00 14.31 C ATOM 819 O LYS A 52 6.821 2.224 8.602 1.00 64.51 O ATOM 820 CB LYS A 52 10.200 1.106 8.571 1.00 24.14 C ATOM 821 CG LYS A 52 11.644 1.198 9.132 1.00 25.44 C ATOM 822 CD LYS A 52 11.829 0.606 10.545 1.00 11.24 C ATOM 823 CE LYS A 52 11.539 -0.900 10.597 1.00 62.04 C ATOM 824 NZ LYS A 52 11.870 -1.474 11.923 1.00 12.23 N ATOM 0 H LYS A 52 8.872 2.159 11.331 1.00 3.12 H new ATOM 0 HA LYS A 52 9.703 3.016 9.454 1.00 74.41 H new ATOM 0 HB2 LYS A 52 9.841 0.084 8.696 1.00 24.14 H new ATOM 0 HB3 LYS A 52 10.228 1.305 7.500 1.00 24.14 H new ATOM 0 HG2 LYS A 52 12.318 0.684 8.447 1.00 25.44 H new ATOM 0 HG3 LYS A 52 11.946 2.245 9.150 1.00 25.44 H new ATOM 0 HD2 LYS A 52 12.850 0.787 10.880 1.00 11.24 H new ATOM 0 HD3 LYS A 52 11.169 1.124 11.241 1.00 11.24 H new ATOM 0 HE2 LYS A 52 10.486 -1.076 10.376 1.00 62.04 H new ATOM 0 HE3 LYS A 52 12.116 -1.409 9.825 1.00 62.04 H new ATOM 0 HZ1 LYS A 52 12.544 -2.257 11.804 1.00 12.23 H new ATOM 0 HZ2 LYS A 52 12.296 -0.739 12.523 1.00 12.23 H new ATOM 0 HZ3 LYS A 52 11.003 -1.829 12.374 1.00 12.23 H new ATOM 838 N PRO A 53 8.273 3.184 7.137 1.00 35.11 N ATOM 839 CA PRO A 53 7.261 3.380 6.077 1.00 35.23 C ATOM 840 C PRO A 53 6.970 2.067 5.334 1.00 24.13 C ATOM 841 O PRO A 53 7.875 1.264 5.087 1.00 34.03 O ATOM 842 CB PRO A 53 7.912 4.421 5.145 1.00 65.40 C ATOM 843 CG PRO A 53 9.386 4.252 5.347 1.00 74.33 C ATOM 844 CD PRO A 53 9.545 3.898 6.806 1.00 44.14 C ATOM 0 HA PRO A 53 6.297 3.708 6.467 1.00 35.23 H new ATOM 0 HB2 PRO A 53 7.634 4.249 4.105 1.00 65.40 H new ATOM 0 HB3 PRO A 53 7.592 5.432 5.398 1.00 65.40 H new ATOM 0 HG2 PRO A 53 9.784 3.466 4.705 1.00 74.33 H new ATOM 0 HG3 PRO A 53 9.925 5.167 5.102 1.00 74.33 H new ATOM 0 HD2 PRO A 53 10.416 3.263 6.972 1.00 44.14 H new ATOM 0 HD3 PRO A 53 9.677 4.787 7.422 1.00 44.14 H new ATOM 852 N LEU A 54 5.703 1.849 4.998 1.00 61.14 N ATOM 853 CA LEU A 54 5.277 0.714 4.175 1.00 62.34 C ATOM 854 C LEU A 54 4.459 1.249 2.994 1.00 60.04 C ATOM 855 O LEU A 54 4.085 2.416 2.975 1.00 60.02 O ATOM 856 CB LEU A 54 4.438 -0.284 5.027 1.00 62.40 C ATOM 857 CG LEU A 54 4.472 -1.768 4.548 1.00 23.03 C ATOM 858 CD1 LEU A 54 5.831 -2.416 4.865 1.00 44.51 C ATOM 859 CD2 LEU A 54 3.306 -2.584 5.137 1.00 71.35 C ATOM 0 H LEU A 54 4.936 2.456 5.289 1.00 61.14 H new ATOM 0 HA LEU A 54 6.147 0.176 3.798 1.00 62.34 H new ATOM 0 HB2 LEU A 54 4.794 -0.244 6.057 1.00 62.40 H new ATOM 0 HB3 LEU A 54 3.402 0.054 5.035 1.00 62.40 H new ATOM 0 HG LEU A 54 4.346 -1.769 3.465 1.00 23.03 H new ATOM 0 HD11 LEU A 54 5.830 -3.450 4.521 1.00 44.51 H new ATOM 0 HD12 LEU A 54 6.624 -1.866 4.358 1.00 44.51 H new ATOM 0 HD13 LEU A 54 6.004 -2.391 5.941 1.00 44.51 H new ATOM 0 HD21 LEU A 54 3.365 -3.612 4.780 1.00 71.35 H new ATOM 0 HD22 LEU A 54 3.368 -2.574 6.225 1.00 71.35 H new ATOM 0 HD23 LEU A 54 2.359 -2.144 4.823 1.00 71.35 H new ATOM 871 N VAL A 55 4.177 0.385 2.022 1.00 35.21 N ATOM 872 CA VAL A 55 3.374 0.699 0.832 1.00 73.43 C ATOM 873 C VAL A 55 2.597 -0.571 0.463 1.00 23.12 C ATOM 874 O VAL A 55 3.207 -1.622 0.258 1.00 55.14 O ATOM 875 CB VAL A 55 4.242 1.168 -0.408 1.00 25.44 C ATOM 876 CG1 VAL A 55 3.368 1.336 -1.663 1.00 61.13 C ATOM 877 CG2 VAL A 55 5.025 2.475 -0.120 1.00 41.34 C ATOM 0 H VAL A 55 4.507 -0.580 2.036 1.00 35.21 H new ATOM 0 HA VAL A 55 2.716 1.534 1.071 1.00 73.43 H new ATOM 0 HB VAL A 55 4.974 0.382 -0.591 1.00 25.44 H new ATOM 0 HG11 VAL A 55 3.989 1.658 -2.499 1.00 61.13 H new ATOM 0 HG12 VAL A 55 2.896 0.384 -1.908 1.00 61.13 H new ATOM 0 HG13 VAL A 55 2.599 2.084 -1.473 1.00 61.13 H new ATOM 0 HG21 VAL A 55 5.604 2.754 -1.001 1.00 41.34 H new ATOM 0 HG22 VAL A 55 4.324 3.274 0.121 1.00 41.34 H new ATOM 0 HG23 VAL A 55 5.699 2.317 0.722 1.00 41.34 H new ATOM 887 N VAL A 56 1.258 -0.482 0.409 1.00 61.42 N ATOM 888 CA VAL A 56 0.390 -1.624 0.083 1.00 21.34 C ATOM 889 C VAL A 56 -0.441 -1.330 -1.183 1.00 72.24 C ATOM 890 O VAL A 56 -1.338 -0.485 -1.167 1.00 41.21 O ATOM 891 CB VAL A 56 -0.537 -2.009 1.300 1.00 75.14 C ATOM 892 CG1 VAL A 56 -1.569 -3.087 0.912 1.00 10.40 C ATOM 893 CG2 VAL A 56 0.307 -2.487 2.504 1.00 60.32 C ATOM 0 H VAL A 56 0.748 0.383 0.590 1.00 61.42 H new ATOM 0 HA VAL A 56 1.028 -2.484 -0.122 1.00 21.34 H new ATOM 0 HB VAL A 56 -1.083 -1.110 1.587 1.00 75.14 H new ATOM 0 HG11 VAL A 56 -2.189 -3.325 1.776 1.00 10.40 H new ATOM 0 HG12 VAL A 56 -2.200 -2.713 0.105 1.00 10.40 H new ATOM 0 HG13 VAL A 56 -1.049 -3.985 0.579 1.00 10.40 H new ATOM 0 HG21 VAL A 56 -0.354 -2.747 3.331 1.00 60.32 H new ATOM 0 HG22 VAL A 56 0.889 -3.362 2.216 1.00 60.32 H new ATOM 0 HG23 VAL A 56 0.981 -1.689 2.815 1.00 60.32 H new ATOM 903 N PHE A 57 -0.123 -2.057 -2.265 1.00 43.25 N ATOM 904 CA PHE A 57 -0.838 -2.000 -3.543 1.00 41.22 C ATOM 905 C PHE A 57 -2.083 -2.900 -3.460 1.00 72.54 C ATOM 906 O PHE A 57 -1.959 -4.121 -3.300 1.00 54.51 O ATOM 907 CB PHE A 57 0.082 -2.487 -4.696 1.00 70.00 C ATOM 908 CG PHE A 57 1.266 -1.573 -5.002 1.00 31.22 C ATOM 909 CD1 PHE A 57 2.453 -1.648 -4.266 1.00 42.45 C ATOM 910 CD2 PHE A 57 1.193 -0.635 -6.032 1.00 24.33 C ATOM 911 CE1 PHE A 57 3.515 -0.809 -4.550 1.00 74.32 C ATOM 912 CE2 PHE A 57 2.256 0.200 -6.307 1.00 35.13 C ATOM 913 CZ PHE A 57 3.417 0.111 -5.570 1.00 63.10 C ATOM 0 H PHE A 57 0.657 -2.715 -2.273 1.00 43.25 H new ATOM 0 HA PHE A 57 -1.135 -0.971 -3.745 1.00 41.22 H new ATOM 0 HB2 PHE A 57 0.461 -3.478 -4.445 1.00 70.00 H new ATOM 0 HB3 PHE A 57 -0.518 -2.595 -5.599 1.00 70.00 H new ATOM 0 HD1 PHE A 57 2.541 -2.369 -3.467 1.00 42.45 H new ATOM 0 HD2 PHE A 57 0.292 -0.562 -6.622 1.00 24.33 H new ATOM 0 HE1 PHE A 57 4.424 -0.875 -3.970 1.00 74.32 H new ATOM 0 HE2 PHE A 57 2.178 0.926 -7.103 1.00 35.13 H new ATOM 0 HZ PHE A 57 4.249 0.762 -5.792 1.00 63.10 H new ATOM 923 N VAL A 58 -3.268 -2.294 -3.563 1.00 41.23 N ATOM 924 CA VAL A 58 -4.543 -3.014 -3.509 1.00 70.05 C ATOM 925 C VAL A 58 -4.798 -3.664 -4.885 1.00 41.31 C ATOM 926 O VAL A 58 -5.435 -3.088 -5.771 1.00 54.54 O ATOM 927 CB VAL A 58 -5.713 -2.050 -3.083 1.00 12.23 C ATOM 928 CG1 VAL A 58 -7.061 -2.793 -2.987 1.00 70.33 C ATOM 929 CG2 VAL A 58 -5.376 -1.336 -1.753 1.00 64.11 C ATOM 0 H VAL A 58 -3.371 -1.287 -3.687 1.00 41.23 H new ATOM 0 HA VAL A 58 -4.499 -3.798 -2.753 1.00 70.05 H new ATOM 0 HB VAL A 58 -5.817 -1.294 -3.862 1.00 12.23 H new ATOM 0 HG11 VAL A 58 -7.842 -2.093 -2.691 1.00 70.33 H new ATOM 0 HG12 VAL A 58 -7.309 -3.224 -3.957 1.00 70.33 H new ATOM 0 HG13 VAL A 58 -6.986 -3.588 -2.245 1.00 70.33 H new ATOM 0 HG21 VAL A 58 -6.197 -0.675 -1.477 1.00 64.11 H new ATOM 0 HG22 VAL A 58 -5.228 -2.078 -0.969 1.00 64.11 H new ATOM 0 HG23 VAL A 58 -4.464 -0.751 -1.875 1.00 64.11 H new ATOM 939 N ASN A 59 -4.222 -4.858 -5.053 1.00 13.51 N ATOM 940 CA ASN A 59 -4.231 -5.612 -6.311 1.00 4.13 C ATOM 941 C ASN A 59 -5.178 -6.805 -6.176 1.00 62.32 C ATOM 942 O ASN A 59 -4.859 -7.783 -5.500 1.00 3.24 O ATOM 943 CB ASN A 59 -2.781 -6.068 -6.650 1.00 23.13 C ATOM 944 CG ASN A 59 -2.652 -6.988 -7.878 1.00 21.23 C ATOM 945 OD1 ASN A 59 -3.500 -6.817 -8.887 1.00 72.20 O flip ATOM 946 ND2 ASN A 59 -1.761 -7.844 -7.928 1.00 52.11 N flip ATOM 0 H ASN A 59 -3.726 -5.338 -4.302 1.00 13.51 H new ATOM 0 HA ASN A 59 -4.588 -4.985 -7.128 1.00 4.13 H new ATOM 0 HB2 ASN A 59 -2.168 -5.182 -6.814 1.00 23.13 H new ATOM 0 HB3 ASN A 59 -2.368 -6.585 -5.784 1.00 23.13 H new ATOM 0 HD21 ASN A 59 -1.120 -7.959 -7.143 1.00 52.11 H new ATOM 0 HD22 ASN A 59 -1.667 -8.435 -8.754 1.00 52.11 H new ATOM 953 N GLY A 60 -6.368 -6.695 -6.787 1.00 10.20 N ATOM 954 CA GLY A 60 -7.382 -7.749 -6.724 1.00 73.12 C ATOM 955 C GLY A 60 -8.405 -7.490 -5.628 1.00 61.41 C ATOM 956 O GLY A 60 -9.611 -7.630 -5.859 1.00 45.25 O ATOM 0 H GLY A 60 -6.649 -5.880 -7.332 1.00 10.20 H new ATOM 0 HA2 GLY A 60 -7.891 -7.821 -7.685 1.00 73.12 H new ATOM 0 HA3 GLY A 60 -6.897 -8.709 -6.548 1.00 73.12 H new ATOM 960 N ALA A 61 -7.915 -7.116 -4.426 1.00 0.54 N ATOM 961 CA ALA A 61 -8.775 -6.743 -3.288 1.00 1.41 C ATOM 962 C ALA A 61 -9.651 -5.521 -3.634 1.00 51.22 C ATOM 963 O ALA A 61 -9.232 -4.643 -4.393 1.00 23.44 O ATOM 964 CB ALA A 61 -7.925 -6.468 -2.038 1.00 73.11 C ATOM 0 H ALA A 61 -6.917 -7.065 -4.221 1.00 0.54 H new ATOM 0 HA ALA A 61 -9.439 -7.581 -3.075 1.00 1.41 H new ATOM 0 HB1 ALA A 61 -8.576 -6.194 -1.208 1.00 73.11 H new ATOM 0 HB2 ALA A 61 -7.362 -7.364 -1.777 1.00 73.11 H new ATOM 0 HB3 ALA A 61 -7.233 -5.651 -2.241 1.00 73.11 H new ATOM 970 N SER A 62 -10.867 -5.492 -3.082 1.00 42.40 N ATOM 971 CA SER A 62 -11.862 -4.435 -3.341 1.00 42.24 C ATOM 972 C SER A 62 -11.822 -3.356 -2.243 1.00 35.52 C ATOM 973 O SER A 62 -11.082 -3.482 -1.254 1.00 4.11 O ATOM 974 CB SER A 62 -13.266 -5.084 -3.423 1.00 65.11 C ATOM 975 OG SER A 62 -13.303 -6.098 -4.418 1.00 14.22 O ATOM 0 H SER A 62 -11.197 -6.208 -2.435 1.00 42.40 H new ATOM 0 HA SER A 62 -11.630 -3.943 -4.286 1.00 42.24 H new ATOM 0 HB2 SER A 62 -13.530 -5.510 -2.455 1.00 65.11 H new ATOM 0 HB3 SER A 62 -14.010 -4.321 -3.649 1.00 65.11 H new ATOM 0 HG SER A 62 -14.199 -6.493 -4.449 1.00 14.22 H new ATOM 981 N GLN A 63 -12.652 -2.301 -2.425 1.00 35.43 N ATOM 982 CA GLN A 63 -12.847 -1.227 -1.429 1.00 3.22 C ATOM 983 C GLN A 63 -13.420 -1.794 -0.108 1.00 24.14 C ATOM 984 O GLN A 63 -13.231 -1.204 0.956 1.00 54.22 O ATOM 985 CB GLN A 63 -13.768 -0.116 -2.013 1.00 31.11 C ATOM 986 CG GLN A 63 -14.018 1.098 -1.083 1.00 61.23 C ATOM 987 CD GLN A 63 -12.752 1.878 -0.704 1.00 12.22 C ATOM 988 OE1 GLN A 63 -11.794 1.980 -1.474 1.00 33.01 O ATOM 989 NE2 GLN A 63 -12.736 2.432 0.495 1.00 23.12 N ATOM 0 H GLN A 63 -13.206 -2.173 -3.272 1.00 35.43 H new ATOM 0 HA GLN A 63 -11.878 -0.784 -1.201 1.00 3.22 H new ATOM 0 HB2 GLN A 63 -13.328 0.245 -2.943 1.00 31.11 H new ATOM 0 HB3 GLN A 63 -14.730 -0.562 -2.267 1.00 31.11 H new ATOM 0 HG2 GLN A 63 -14.716 1.777 -1.573 1.00 61.23 H new ATOM 0 HG3 GLN A 63 -14.501 0.748 -0.171 1.00 61.23 H new ATOM 0 HE21 GLN A 63 -13.541 2.333 1.113 1.00 23.12 H new ATOM 0 HE22 GLN A 63 -11.918 2.959 0.803 1.00 23.12 H new ATOM 998 N ASN A 64 -14.089 -2.967 -0.201 1.00 32.24 N ATOM 999 CA ASN A 64 -14.593 -3.723 0.967 1.00 44.35 C ATOM 1000 C ASN A 64 -13.422 -4.069 1.908 1.00 42.15 C ATOM 1001 O ASN A 64 -13.478 -3.825 3.113 1.00 22.05 O ATOM 1002 CB ASN A 64 -15.299 -5.039 0.516 1.00 45.42 C ATOM 1003 CG ASN A 64 -16.432 -4.840 -0.509 1.00 53.14 C ATOM 1004 OD1 ASN A 64 -16.409 -3.920 -1.330 1.00 45.10 O ATOM 1005 ND2 ASN A 64 -17.431 -5.705 -0.479 1.00 53.42 N ATOM 0 H ASN A 64 -14.295 -3.417 -1.093 1.00 32.24 H new ATOM 0 HA ASN A 64 -15.318 -3.100 1.491 1.00 44.35 H new ATOM 0 HB2 ASN A 64 -14.553 -5.708 0.088 1.00 45.42 H new ATOM 0 HB3 ASN A 64 -15.706 -5.537 1.396 1.00 45.42 H new ATOM 0 HD21 ASN A 64 -18.201 -5.618 -1.142 1.00 53.42 H new ATOM 0 HD22 ASN A 64 -17.432 -6.459 0.208 1.00 53.42 H new ATOM 1012 N ASP A 65 -12.345 -4.586 1.293 1.00 12.40 N ATOM 1013 CA ASP A 65 -11.114 -5.009 1.989 1.00 4.30 C ATOM 1014 C ASP A 65 -10.324 -3.776 2.467 1.00 53.33 C ATOM 1015 O ASP A 65 -9.719 -3.790 3.543 1.00 73.12 O ATOM 1016 CB ASP A 65 -10.228 -5.869 1.042 1.00 63.10 C ATOM 1017 CG ASP A 65 -10.979 -7.042 0.367 1.00 72.05 C ATOM 1018 OD1 ASP A 65 -11.792 -6.784 -0.548 1.00 2.23 O ATOM 1019 OD2 ASP A 65 -10.775 -8.217 0.746 1.00 13.14 O ATOM 0 H ASP A 65 -12.303 -4.725 0.283 1.00 12.40 H new ATOM 0 HA ASP A 65 -11.393 -5.610 2.855 1.00 4.30 H new ATOM 0 HB2 ASP A 65 -9.811 -5.225 0.268 1.00 63.10 H new ATOM 0 HB3 ASP A 65 -9.388 -6.268 1.611 1.00 63.10 H new ATOM 1024 N VAL A 66 -10.376 -2.705 1.651 1.00 63.15 N ATOM 1025 CA VAL A 66 -9.699 -1.421 1.926 1.00 64.44 C ATOM 1026 C VAL A 66 -10.254 -0.768 3.204 1.00 51.04 C ATOM 1027 O VAL A 66 -9.489 -0.219 4.001 1.00 73.22 O ATOM 1028 CB VAL A 66 -9.854 -0.443 0.698 1.00 71.11 C ATOM 1029 CG1 VAL A 66 -9.474 1.012 1.041 1.00 31.25 C ATOM 1030 CG2 VAL A 66 -9.030 -0.944 -0.508 1.00 34.12 C ATOM 0 H VAL A 66 -10.895 -2.706 0.773 1.00 63.15 H new ATOM 0 HA VAL A 66 -8.639 -1.623 2.081 1.00 64.44 H new ATOM 0 HB VAL A 66 -10.911 -0.442 0.433 1.00 71.11 H new ATOM 0 HG11 VAL A 66 -9.600 1.639 0.158 1.00 31.25 H new ATOM 0 HG12 VAL A 66 -10.118 1.377 1.841 1.00 31.25 H new ATOM 0 HG13 VAL A 66 -8.435 1.049 1.367 1.00 31.25 H new ATOM 0 HG21 VAL A 66 -9.152 -0.254 -1.343 1.00 34.12 H new ATOM 0 HG22 VAL A 66 -7.977 -0.998 -0.232 1.00 34.12 H new ATOM 0 HG23 VAL A 66 -9.379 -1.934 -0.801 1.00 34.12 H new ATOM 1040 N ASN A 67 -11.582 -0.856 3.393 1.00 65.42 N ATOM 1041 CA ASN A 67 -12.253 -0.322 4.596 1.00 11.54 C ATOM 1042 C ASN A 67 -11.795 -1.079 5.850 1.00 61.40 C ATOM 1043 O ASN A 67 -11.640 -0.484 6.920 1.00 35.22 O ATOM 1044 CB ASN A 67 -13.795 -0.406 4.459 1.00 62.40 C ATOM 1045 CG ASN A 67 -14.356 0.459 3.333 1.00 62.13 C ATOM 1046 OD1 ASN A 67 -13.828 1.532 3.029 1.00 50.32 O ATOM 1047 ND2 ASN A 67 -15.425 -0.004 2.702 1.00 43.42 N ATOM 0 H ASN A 67 -12.217 -1.294 2.725 1.00 65.42 H new ATOM 0 HA ASN A 67 -11.974 0.727 4.695 1.00 11.54 H new ATOM 0 HB2 ASN A 67 -14.080 -1.444 4.285 1.00 62.40 H new ATOM 0 HB3 ASN A 67 -14.252 -0.103 5.401 1.00 62.40 H new ATOM 0 HD21 ASN A 67 -15.838 0.531 1.938 1.00 43.42 H new ATOM 0 HD22 ASN A 67 -15.835 -0.895 2.980 1.00 43.42 H new ATOM 1054 N GLU A 68 -11.556 -2.395 5.683 1.00 63.35 N ATOM 1055 CA GLU A 68 -11.069 -3.269 6.760 1.00 21.34 C ATOM 1056 C GLU A 68 -9.592 -2.963 7.082 1.00 13.01 C ATOM 1057 O GLU A 68 -9.177 -3.079 8.229 1.00 51.41 O ATOM 1058 CB GLU A 68 -11.261 -4.755 6.369 1.00 5.44 C ATOM 1059 CG GLU A 68 -12.720 -5.121 6.011 1.00 30.44 C ATOM 1060 CD GLU A 68 -12.938 -6.623 5.781 1.00 32.34 C ATOM 1061 OE1 GLU A 68 -13.020 -7.381 6.776 1.00 52.43 O ATOM 1062 OE2 GLU A 68 -13.021 -7.059 4.617 1.00 45.02 O ATOM 0 H GLU A 68 -11.696 -2.879 4.796 1.00 63.35 H new ATOM 0 HA GLU A 68 -11.652 -3.076 7.661 1.00 21.34 H new ATOM 0 HB2 GLU A 68 -10.619 -4.983 5.518 1.00 5.44 H new ATOM 0 HB3 GLU A 68 -10.930 -5.384 7.195 1.00 5.44 H new ATOM 0 HG2 GLU A 68 -13.377 -4.786 6.813 1.00 30.44 H new ATOM 0 HG3 GLU A 68 -13.012 -4.578 5.112 1.00 30.44 H new ATOM 1069 N PHE A 69 -8.818 -2.536 6.053 1.00 73.31 N ATOM 1070 CA PHE A 69 -7.427 -2.068 6.231 1.00 21.53 C ATOM 1071 C PHE A 69 -7.423 -0.829 7.129 1.00 41.44 C ATOM 1072 O PHE A 69 -6.708 -0.774 8.130 1.00 61.02 O ATOM 1073 CB PHE A 69 -6.764 -1.741 4.854 1.00 21.21 C ATOM 1074 CG PHE A 69 -5.288 -1.332 4.934 1.00 31.44 C ATOM 1075 CD1 PHE A 69 -4.907 0.001 5.146 1.00 35.21 C ATOM 1076 CD2 PHE A 69 -4.272 -2.283 4.789 1.00 54.20 C ATOM 1077 CE1 PHE A 69 -3.575 0.356 5.225 1.00 3.12 C ATOM 1078 CE2 PHE A 69 -2.942 -1.921 4.870 1.00 40.43 C ATOM 1079 CZ PHE A 69 -2.597 -0.604 5.080 1.00 34.50 C ATOM 0 H PHE A 69 -9.140 -2.508 5.086 1.00 73.31 H new ATOM 0 HA PHE A 69 -6.846 -2.862 6.700 1.00 21.53 H new ATOM 0 HB2 PHE A 69 -6.850 -2.615 4.208 1.00 21.21 H new ATOM 0 HB3 PHE A 69 -7.325 -0.936 4.378 1.00 21.21 H new ATOM 0 HD1 PHE A 69 -5.667 0.761 5.249 1.00 35.21 H new ATOM 0 HD2 PHE A 69 -4.532 -3.316 4.611 1.00 54.20 H new ATOM 0 HE1 PHE A 69 -3.300 1.386 5.400 1.00 3.12 H new ATOM 0 HE2 PHE A 69 -2.172 -2.671 4.769 1.00 40.43 H new ATOM 0 HZ PHE A 69 -1.556 -0.323 5.131 1.00 34.50 H new ATOM 1089 N GLN A 70 -8.245 0.154 6.726 1.00 63.32 N ATOM 1090 CA GLN A 70 -8.449 1.409 7.455 1.00 44.35 C ATOM 1091 C GLN A 70 -8.867 1.174 8.926 1.00 44.30 C ATOM 1092 O GLN A 70 -8.393 1.882 9.819 1.00 20.23 O ATOM 1093 CB GLN A 70 -9.510 2.269 6.715 1.00 64.14 C ATOM 1094 CG GLN A 70 -9.105 2.677 5.277 1.00 54.41 C ATOM 1095 CD GLN A 70 -10.156 3.508 4.543 1.00 64.44 C ATOM 1096 OE1 GLN A 70 -10.156 3.446 3.221 1.00 52.03 O flip ATOM 1097 NE2 GLN A 70 -10.944 4.232 5.155 1.00 45.31 N flip ATOM 0 H GLN A 70 -8.794 0.094 5.869 1.00 63.32 H new ATOM 0 HA GLN A 70 -7.498 1.940 7.482 1.00 44.35 H new ATOM 0 HB2 GLN A 70 -10.447 1.713 6.673 1.00 64.14 H new ATOM 0 HB3 GLN A 70 -9.700 3.171 7.297 1.00 64.14 H new ATOM 0 HG2 GLN A 70 -8.175 3.244 5.320 1.00 54.41 H new ATOM 0 HG3 GLN A 70 -8.902 1.775 4.699 1.00 54.41 H new ATOM 0 HE21 GLN A 70 -10.923 4.261 6.174 1.00 45.31 H new ATOM 0 HE22 GLN A 70 -11.617 4.802 4.642 1.00 45.31 H new ATOM 1106 N ASN A 71 -9.735 0.161 9.157 1.00 31.24 N ATOM 1107 CA ASN A 71 -10.219 -0.188 10.511 1.00 32.03 C ATOM 1108 C ASN A 71 -9.108 -0.837 11.356 1.00 52.52 C ATOM 1109 O ASN A 71 -8.716 -0.276 12.385 1.00 52.23 O ATOM 1110 CB ASN A 71 -11.466 -1.116 10.439 1.00 43.34 C ATOM 1111 CG ASN A 71 -12.709 -0.432 9.861 1.00 23.02 C ATOM 1112 OD1 ASN A 71 -12.887 0.786 9.978 1.00 42.42 O ATOM 1113 ND2 ASN A 71 -13.583 -1.210 9.245 1.00 64.35 N ATOM 0 H ASN A 71 -10.115 -0.431 8.418 1.00 31.24 H new ATOM 0 HA ASN A 71 -10.513 0.740 11.001 1.00 32.03 H new ATOM 0 HB2 ASN A 71 -11.225 -1.987 9.830 1.00 43.34 H new ATOM 0 HB3 ASN A 71 -11.695 -1.481 11.440 1.00 43.34 H new ATOM 0 HD21 ASN A 71 -14.433 -0.809 8.850 1.00 64.35 H new ATOM 0 HD22 ASN A 71 -13.407 -2.211 9.165 1.00 64.35 H new ATOM 1120 N GLU A 72 -8.598 -2.006 10.898 1.00 72.31 N ATOM 1121 CA GLU A 72 -7.520 -2.757 11.588 1.00 55.41 C ATOM 1122 C GLU A 72 -6.284 -1.885 11.898 1.00 61.31 C ATOM 1123 O GLU A 72 -5.599 -2.120 12.895 1.00 24.03 O ATOM 1124 CB GLU A 72 -7.098 -4.008 10.774 1.00 24.02 C ATOM 1125 CG GLU A 72 -8.227 -5.025 10.503 1.00 75.15 C ATOM 1126 CD GLU A 72 -8.786 -5.719 11.760 1.00 23.24 C ATOM 1127 OE1 GLU A 72 -9.749 -5.201 12.369 1.00 41.01 O ATOM 1128 OE2 GLU A 72 -8.287 -6.807 12.123 1.00 11.20 O ATOM 0 H GLU A 72 -8.922 -2.455 10.041 1.00 72.31 H new ATOM 0 HA GLU A 72 -7.939 -3.077 12.542 1.00 55.41 H new ATOM 0 HB2 GLU A 72 -6.689 -3.679 9.818 1.00 24.02 H new ATOM 0 HB3 GLU A 72 -6.294 -4.515 11.307 1.00 24.02 H new ATOM 0 HG2 GLU A 72 -9.044 -4.513 9.994 1.00 75.15 H new ATOM 0 HG3 GLU A 72 -7.854 -5.788 9.820 1.00 75.15 H new ATOM 1135 N ALA A 73 -5.993 -0.901 11.035 1.00 63.11 N ATOM 1136 CA ALA A 73 -4.940 0.092 11.286 1.00 11.24 C ATOM 1137 C ALA A 73 -5.316 1.070 12.428 1.00 33.34 C ATOM 1138 O ALA A 73 -4.625 1.117 13.458 1.00 65.55 O ATOM 1139 CB ALA A 73 -4.631 0.849 9.991 1.00 33.21 C ATOM 0 H ALA A 73 -6.479 -0.772 10.147 1.00 63.11 H new ATOM 0 HA ALA A 73 -4.046 -0.438 11.616 1.00 11.24 H new ATOM 0 HB1 ALA A 73 -3.850 1.586 10.178 1.00 33.21 H new ATOM 0 HB2 ALA A 73 -4.292 0.146 9.230 1.00 33.21 H new ATOM 0 HB3 ALA A 73 -5.531 1.355 9.642 1.00 33.21 H new ATOM 1145 N LYS A 74 -6.439 1.813 12.247 1.00 62.23 N ATOM 1146 CA LYS A 74 -6.834 2.925 13.152 1.00 22.23 C ATOM 1147 C LYS A 74 -7.022 2.470 14.623 1.00 61.11 C ATOM 1148 O LYS A 74 -6.679 3.212 15.551 1.00 3.51 O ATOM 1149 CB LYS A 74 -8.123 3.651 12.640 1.00 15.21 C ATOM 1150 CG LYS A 74 -9.451 2.869 12.821 1.00 35.53 C ATOM 1151 CD LYS A 74 -10.711 3.672 12.402 1.00 34.32 C ATOM 1152 CE LYS A 74 -10.798 3.967 10.895 1.00 62.31 C ATOM 1153 NZ LYS A 74 -11.976 4.826 10.561 1.00 11.42 N ATOM 0 H LYS A 74 -7.091 1.660 11.477 1.00 62.23 H new ATOM 0 HA LYS A 74 -6.004 3.631 13.136 1.00 22.23 H new ATOM 0 HB2 LYS A 74 -8.211 4.605 13.159 1.00 15.21 H new ATOM 0 HB3 LYS A 74 -7.996 3.875 11.581 1.00 15.21 H new ATOM 0 HG2 LYS A 74 -9.405 1.951 12.235 1.00 35.53 H new ATOM 0 HG3 LYS A 74 -9.549 2.575 13.866 1.00 35.53 H new ATOM 0 HD2 LYS A 74 -11.599 3.117 12.704 1.00 34.32 H new ATOM 0 HD3 LYS A 74 -10.724 4.616 12.947 1.00 34.32 H new ATOM 0 HE2 LYS A 74 -9.884 4.462 10.569 1.00 62.31 H new ATOM 0 HE3 LYS A 74 -10.866 3.028 10.345 1.00 62.31 H new ATOM 0 HZ1 LYS A 74 -11.998 5.001 9.536 1.00 11.42 H new ATOM 0 HZ2 LYS A 74 -12.851 4.343 10.849 1.00 11.42 H new ATOM 0 HZ3 LYS A 74 -11.899 5.732 11.066 1.00 11.42 H new ATOM 1167 N LYS A 75 -7.522 1.231 14.821 1.00 3.54 N ATOM 1168 CA LYS A 75 -7.846 0.692 16.163 1.00 61.15 C ATOM 1169 C LYS A 75 -6.569 0.323 16.946 1.00 51.22 C ATOM 1170 O LYS A 75 -6.558 0.375 18.179 1.00 42.33 O ATOM 1171 CB LYS A 75 -8.787 -0.538 16.036 1.00 23.53 C ATOM 1172 CG LYS A 75 -8.213 -1.690 15.191 1.00 4.24 C ATOM 1173 CD LYS A 75 -9.130 -2.929 15.117 1.00 25.14 C ATOM 1174 CE LYS A 75 -9.312 -3.618 16.481 1.00 34.24 C ATOM 1175 NZ LYS A 75 -9.984 -4.943 16.354 1.00 52.22 N ATOM 0 H LYS A 75 -7.712 0.578 14.061 1.00 3.54 H new ATOM 0 HA LYS A 75 -8.361 1.472 16.724 1.00 61.15 H new ATOM 0 HB2 LYS A 75 -9.013 -0.913 17.034 1.00 23.53 H new ATOM 0 HB3 LYS A 75 -9.730 -0.215 15.596 1.00 23.53 H new ATOM 0 HG2 LYS A 75 -8.026 -1.328 14.180 1.00 4.24 H new ATOM 0 HG3 LYS A 75 -7.250 -1.987 15.606 1.00 4.24 H new ATOM 0 HD2 LYS A 75 -10.105 -2.631 14.732 1.00 25.14 H new ATOM 0 HD3 LYS A 75 -8.712 -3.643 14.407 1.00 25.14 H new ATOM 0 HE2 LYS A 75 -8.338 -3.749 16.953 1.00 34.24 H new ATOM 0 HE3 LYS A 75 -9.900 -2.975 17.136 1.00 34.24 H new ATOM 0 HZ1 LYS A 75 -10.086 -5.372 17.296 1.00 52.22 H new ATOM 0 HZ2 LYS A 75 -10.924 -4.816 15.927 1.00 52.22 H new ATOM 0 HZ3 LYS A 75 -9.411 -5.566 15.750 1.00 52.22 H new ATOM 1189 N GLU A 76 -5.503 -0.042 16.213 1.00 51.44 N ATOM 1190 CA GLU A 76 -4.202 -0.422 16.806 1.00 42.03 C ATOM 1191 C GLU A 76 -3.271 0.791 16.953 1.00 54.35 C ATOM 1192 O GLU A 76 -2.237 0.696 17.619 1.00 54.43 O ATOM 1193 CB GLU A 76 -3.512 -1.503 15.933 1.00 70.54 C ATOM 1194 CG GLU A 76 -4.365 -2.756 15.665 1.00 54.34 C ATOM 1195 CD GLU A 76 -4.853 -3.471 16.939 1.00 64.14 C ATOM 1196 OE1 GLU A 76 -4.054 -4.196 17.568 1.00 0.32 O ATOM 1197 OE2 GLU A 76 -6.029 -3.318 17.316 1.00 55.13 O ATOM 0 H GLU A 76 -5.515 -0.083 15.194 1.00 51.44 H new ATOM 0 HA GLU A 76 -4.398 -0.823 17.800 1.00 42.03 H new ATOM 0 HB2 GLU A 76 -3.236 -1.057 14.977 1.00 70.54 H new ATOM 0 HB3 GLU A 76 -2.586 -1.808 16.421 1.00 70.54 H new ATOM 0 HG2 GLU A 76 -5.231 -2.471 15.067 1.00 54.34 H new ATOM 0 HG3 GLU A 76 -3.782 -3.458 15.068 1.00 54.34 H new ATOM 1204 N GLY A 77 -3.662 1.930 16.350 1.00 50.24 N ATOM 1205 CA GLY A 77 -2.814 3.126 16.305 1.00 40.14 C ATOM 1206 C GLY A 77 -1.766 3.104 15.198 1.00 52.42 C ATOM 1207 O GLY A 77 -0.747 3.802 15.288 1.00 52.42 O ATOM 0 H GLY A 77 -4.564 2.042 15.887 1.00 50.24 H new ATOM 0 HA2 GLY A 77 -3.448 4.003 16.173 1.00 40.14 H new ATOM 0 HA3 GLY A 77 -2.311 3.238 17.265 1.00 40.14 H new ATOM 1211 N VAL A 78 -2.008 2.295 14.154 1.00 1.03 N ATOM 1212 CA VAL A 78 -1.175 2.281 12.938 1.00 62.20 C ATOM 1213 C VAL A 78 -1.723 3.330 11.952 1.00 52.22 C ATOM 1214 O VAL A 78 -2.932 3.357 11.673 1.00 62.30 O ATOM 1215 CB VAL A 78 -1.143 0.855 12.255 1.00 0.32 C ATOM 1216 CG1 VAL A 78 -0.238 0.846 10.996 1.00 51.30 C ATOM 1217 CG2 VAL A 78 -0.706 -0.244 13.259 1.00 2.43 C ATOM 0 H VAL A 78 -2.784 1.634 14.128 1.00 1.03 H new ATOM 0 HA VAL A 78 -0.150 2.521 13.219 1.00 62.20 H new ATOM 0 HB VAL A 78 -2.160 0.629 11.934 1.00 0.32 H new ATOM 0 HG11 VAL A 78 -0.240 -0.150 10.553 1.00 51.30 H new ATOM 0 HG12 VAL A 78 -0.616 1.566 10.271 1.00 51.30 H new ATOM 0 HG13 VAL A 78 0.780 1.115 11.278 1.00 51.30 H new ATOM 0 HG21 VAL A 78 -0.695 -1.212 12.757 1.00 2.43 H new ATOM 0 HG22 VAL A 78 0.292 -0.018 13.634 1.00 2.43 H new ATOM 0 HG23 VAL A 78 -1.408 -0.276 14.092 1.00 2.43 H new ATOM 1227 N SER A 79 -0.837 4.204 11.458 1.00 42.12 N ATOM 1228 CA SER A 79 -1.193 5.257 10.504 1.00 70.23 C ATOM 1229 C SER A 79 -1.218 4.692 9.071 1.00 11.53 C ATOM 1230 O SER A 79 -0.467 3.764 8.740 1.00 74.53 O ATOM 1231 CB SER A 79 -0.189 6.420 10.623 1.00 1.02 C ATOM 1232 OG SER A 79 -0.075 6.850 11.972 1.00 2.43 O ATOM 0 H SER A 79 0.151 4.199 11.711 1.00 42.12 H new ATOM 0 HA SER A 79 -2.190 5.633 10.733 1.00 70.23 H new ATOM 0 HB2 SER A 79 0.786 6.104 10.253 1.00 1.02 H new ATOM 0 HB3 SER A 79 -0.513 7.252 9.997 1.00 1.02 H new ATOM 0 HG SER A 79 0.568 7.587 12.027 1.00 2.43 H new ATOM 1238 N TYR A 80 -2.096 5.262 8.238 1.00 71.25 N ATOM 1239 CA TYR A 80 -2.287 4.856 6.838 1.00 34.50 C ATOM 1240 C TYR A 80 -2.666 6.095 6.000 1.00 40.45 C ATOM 1241 O TYR A 80 -3.422 6.958 6.469 1.00 30.14 O ATOM 1242 CB TYR A 80 -3.386 3.755 6.743 1.00 15.13 C ATOM 1243 CG TYR A 80 -4.777 4.194 7.237 1.00 73.42 C ATOM 1244 CD1 TYR A 80 -5.106 4.176 8.598 1.00 54.41 C ATOM 1245 CD2 TYR A 80 -5.754 4.636 6.341 1.00 61.31 C ATOM 1246 CE1 TYR A 80 -6.349 4.591 9.041 1.00 23.33 C ATOM 1247 CE2 TYR A 80 -6.992 5.051 6.782 1.00 13.34 C ATOM 1248 CZ TYR A 80 -7.288 5.022 8.130 1.00 51.23 C ATOM 1249 OH TYR A 80 -8.531 5.438 8.566 1.00 14.23 O ATOM 0 H TYR A 80 -2.704 6.031 8.521 1.00 71.25 H new ATOM 0 HA TYR A 80 -1.361 4.436 6.445 1.00 34.50 H new ATOM 0 HB2 TYR A 80 -3.469 3.431 5.705 1.00 15.13 H new ATOM 0 HB3 TYR A 80 -3.066 2.889 7.322 1.00 15.13 H new ATOM 0 HD1 TYR A 80 -4.376 3.832 9.315 1.00 54.41 H new ATOM 0 HD2 TYR A 80 -5.535 4.653 5.284 1.00 61.31 H new ATOM 0 HE1 TYR A 80 -6.582 4.577 10.095 1.00 23.33 H new ATOM 0 HE2 TYR A 80 -7.730 5.398 6.074 1.00 13.34 H new ATOM 0 HH TYR A 80 -9.073 5.711 7.797 1.00 14.23 H new ATOM 1259 N ASP A 81 -2.124 6.199 4.781 1.00 65.24 N ATOM 1260 CA ASP A 81 -2.430 7.298 3.847 1.00 54.21 C ATOM 1261 C ASP A 81 -3.062 6.714 2.580 1.00 52.20 C ATOM 1262 O ASP A 81 -2.450 5.883 1.913 1.00 2.31 O ATOM 1263 CB ASP A 81 -1.142 8.089 3.503 1.00 45.52 C ATOM 1264 CG ASP A 81 -1.428 9.365 2.685 1.00 35.21 C ATOM 1265 OD1 ASP A 81 -1.721 10.421 3.293 1.00 60.31 O ATOM 1266 OD2 ASP A 81 -1.372 9.324 1.440 1.00 71.15 O ATOM 0 H ASP A 81 -1.457 5.522 4.410 1.00 65.24 H new ATOM 0 HA ASP A 81 -3.132 7.989 4.313 1.00 54.21 H new ATOM 0 HB2 ASP A 81 -0.630 8.361 4.426 1.00 45.52 H new ATOM 0 HB3 ASP A 81 -0.465 7.446 2.941 1.00 45.52 H new ATOM 1271 N VAL A 82 -4.285 7.153 2.255 1.00 33.02 N ATOM 1272 CA VAL A 82 -5.052 6.624 1.120 1.00 50.41 C ATOM 1273 C VAL A 82 -4.666 7.385 -0.170 1.00 22.12 C ATOM 1274 O VAL A 82 -4.999 8.566 -0.336 1.00 32.24 O ATOM 1275 CB VAL A 82 -6.606 6.727 1.400 1.00 52.23 C ATOM 1276 CG1 VAL A 82 -7.440 6.235 0.195 1.00 30.55 C ATOM 1277 CG2 VAL A 82 -6.986 5.951 2.691 1.00 41.32 C ATOM 0 H VAL A 82 -4.771 7.886 2.772 1.00 33.02 H new ATOM 0 HA VAL A 82 -4.810 5.569 0.987 1.00 50.41 H new ATOM 0 HB VAL A 82 -6.842 7.781 1.550 1.00 52.23 H new ATOM 0 HG11 VAL A 82 -8.501 6.322 0.427 1.00 30.55 H new ATOM 0 HG12 VAL A 82 -7.209 6.843 -0.680 1.00 30.55 H new ATOM 0 HG13 VAL A 82 -7.198 5.193 -0.013 1.00 30.55 H new ATOM 0 HG21 VAL A 82 -8.059 6.036 2.864 1.00 41.32 H new ATOM 0 HG22 VAL A 82 -6.719 4.901 2.576 1.00 41.32 H new ATOM 0 HG23 VAL A 82 -6.447 6.372 3.540 1.00 41.32 H new ATOM 1287 N LEU A 83 -3.902 6.705 -1.037 1.00 33.24 N ATOM 1288 CA LEU A 83 -3.500 7.202 -2.364 1.00 34.43 C ATOM 1289 C LEU A 83 -4.382 6.531 -3.433 1.00 2.43 C ATOM 1290 O LEU A 83 -4.237 5.342 -3.687 1.00 34.23 O ATOM 1291 CB LEU A 83 -1.996 6.872 -2.611 1.00 51.33 C ATOM 1292 CG LEU A 83 -1.414 7.198 -4.036 1.00 54.44 C ATOM 1293 CD1 LEU A 83 -1.470 8.700 -4.365 1.00 53.34 C ATOM 1294 CD2 LEU A 83 0.019 6.644 -4.190 1.00 60.42 C ATOM 0 H LEU A 83 -3.538 5.774 -0.832 1.00 33.24 H new ATOM 0 HA LEU A 83 -3.630 8.283 -2.417 1.00 34.43 H new ATOM 0 HB2 LEU A 83 -1.405 7.414 -1.873 1.00 51.33 H new ATOM 0 HB3 LEU A 83 -1.847 5.809 -2.420 1.00 51.33 H new ATOM 0 HG LEU A 83 -2.053 6.695 -4.762 1.00 54.44 H new ATOM 0 HD11 LEU A 83 -1.056 8.870 -5.359 1.00 53.34 H new ATOM 0 HD12 LEU A 83 -2.505 9.040 -4.340 1.00 53.34 H new ATOM 0 HD13 LEU A 83 -0.888 9.255 -3.630 1.00 53.34 H new ATOM 0 HD21 LEU A 83 0.397 6.883 -5.184 1.00 60.42 H new ATOM 0 HD22 LEU A 83 0.666 7.095 -3.438 1.00 60.42 H new ATOM 0 HD23 LEU A 83 0.007 5.562 -4.057 1.00 60.42 H new ATOM 1306 N LYS A 84 -5.318 7.283 -4.027 1.00 4.31 N ATOM 1307 CA LYS A 84 -6.198 6.770 -5.102 1.00 11.41 C ATOM 1308 C LYS A 84 -5.877 7.485 -6.417 1.00 23.42 C ATOM 1309 O LYS A 84 -6.264 8.645 -6.615 1.00 60.34 O ATOM 1310 CB LYS A 84 -7.704 6.930 -4.742 1.00 51.31 C ATOM 1311 CG LYS A 84 -8.200 5.967 -3.644 1.00 4.51 C ATOM 1312 CD LYS A 84 -9.741 5.956 -3.512 1.00 34.53 C ATOM 1313 CE LYS A 84 -10.250 4.846 -2.583 1.00 12.42 C ATOM 1314 NZ LYS A 84 -11.738 4.786 -2.538 1.00 2.32 N ATOM 0 H LYS A 84 -5.491 8.258 -3.783 1.00 4.31 H new ATOM 0 HA LYS A 84 -6.008 5.703 -5.216 1.00 11.41 H new ATOM 0 HB2 LYS A 84 -7.881 7.955 -4.417 1.00 51.31 H new ATOM 0 HB3 LYS A 84 -8.299 6.774 -5.642 1.00 51.31 H new ATOM 0 HG2 LYS A 84 -7.851 4.959 -3.866 1.00 4.51 H new ATOM 0 HG3 LYS A 84 -7.760 6.253 -2.689 1.00 4.51 H new ATOM 0 HD2 LYS A 84 -10.076 6.922 -3.134 1.00 34.53 H new ATOM 0 HD3 LYS A 84 -10.185 5.829 -4.499 1.00 34.53 H new ATOM 0 HE2 LYS A 84 -9.860 3.886 -2.920 1.00 12.42 H new ATOM 0 HE3 LYS A 84 -9.864 5.012 -1.577 1.00 12.42 H new ATOM 0 HZ1 LYS A 84 -12.038 3.835 -2.242 1.00 2.32 H new ATOM 0 HZ2 LYS A 84 -12.093 5.489 -1.859 1.00 2.32 H new ATOM 0 HZ3 LYS A 84 -12.122 4.992 -3.482 1.00 2.32 H new ATOM 1328 N SER A 85 -5.126 6.796 -7.291 1.00 2.50 N ATOM 1329 CA SER A 85 -4.798 7.293 -8.635 1.00 3.04 C ATOM 1330 C SER A 85 -4.415 6.158 -9.585 1.00 60.31 C ATOM 1331 O SER A 85 -3.961 5.087 -9.167 1.00 52.24 O ATOM 1332 CB SER A 85 -3.693 8.370 -8.581 1.00 21.23 C ATOM 1333 OG SER A 85 -2.623 8.000 -7.729 1.00 2.43 O ATOM 0 H SER A 85 -4.730 5.879 -7.085 1.00 2.50 H new ATOM 0 HA SER A 85 -5.700 7.758 -9.033 1.00 3.04 H new ATOM 0 HB2 SER A 85 -3.310 8.545 -9.586 1.00 21.23 H new ATOM 0 HB3 SER A 85 -4.122 9.310 -8.235 1.00 21.23 H new ATOM 0 HG SER A 85 -1.885 8.636 -7.836 1.00 2.43 H new ATOM 1339 N THR A 86 -4.627 6.428 -10.875 1.00 32.12 N ATOM 1340 CA THR A 86 -4.281 5.535 -11.971 1.00 25.21 C ATOM 1341 C THR A 86 -3.254 6.249 -12.867 1.00 24.52 C ATOM 1342 O THR A 86 -3.632 7.033 -13.750 1.00 60.22 O ATOM 1343 CB THR A 86 -5.566 5.156 -12.778 1.00 3.03 C ATOM 1344 OG1 THR A 86 -6.599 4.727 -11.878 1.00 2.41 O ATOM 1345 CG2 THR A 86 -5.299 4.053 -13.792 1.00 4.45 C ATOM 0 H THR A 86 -5.056 7.299 -11.189 1.00 32.12 H new ATOM 0 HA THR A 86 -3.847 4.611 -11.589 1.00 25.21 H new ATOM 0 HB THR A 86 -5.882 6.046 -13.321 1.00 3.03 H new ATOM 0 HG1 THR A 86 -6.288 3.948 -11.371 1.00 2.41 H new ATOM 0 HG21 THR A 86 -6.219 3.822 -14.329 1.00 4.45 H new ATOM 0 HG22 THR A 86 -4.539 4.385 -14.499 1.00 4.45 H new ATOM 0 HG23 THR A 86 -4.947 3.160 -13.275 1.00 4.45 H new ATOM 1353 N ASP A 87 -1.955 6.009 -12.603 1.00 23.41 N ATOM 1354 CA ASP A 87 -0.851 6.688 -13.307 1.00 11.24 C ATOM 1355 C ASP A 87 0.473 5.955 -12.976 1.00 71.53 C ATOM 1356 O ASP A 87 0.895 5.967 -11.818 1.00 73.32 O ATOM 1357 CB ASP A 87 -0.772 8.184 -12.878 1.00 44.31 C ATOM 1358 CG ASP A 87 0.100 9.035 -13.818 1.00 23.43 C ATOM 1359 OD1 ASP A 87 1.336 9.007 -13.696 1.00 75.13 O ATOM 1360 OD2 ASP A 87 -0.455 9.736 -14.696 1.00 42.44 O ATOM 0 H ASP A 87 -1.643 5.341 -11.898 1.00 23.41 H new ATOM 0 HA ASP A 87 -1.026 6.659 -14.383 1.00 11.24 H new ATOM 0 HB2 ASP A 87 -1.779 8.601 -12.849 1.00 44.31 H new ATOM 0 HB3 ASP A 87 -0.372 8.245 -11.866 1.00 44.31 H new ATOM 1365 N PRO A 88 1.158 5.315 -13.976 1.00 21.04 N ATOM 1366 CA PRO A 88 2.300 4.391 -13.710 1.00 43.31 C ATOM 1367 C PRO A 88 3.549 5.099 -13.136 1.00 24.20 C ATOM 1368 O PRO A 88 4.315 4.499 -12.374 1.00 42.33 O ATOM 1369 CB PRO A 88 2.579 3.759 -15.098 1.00 53.22 C ATOM 1370 CG PRO A 88 2.113 4.793 -16.079 1.00 11.12 C ATOM 1371 CD PRO A 88 0.901 5.447 -15.440 1.00 51.23 C ATOM 0 HA PRO A 88 2.056 3.658 -12.941 1.00 43.31 H new ATOM 0 HB2 PRO A 88 3.638 3.537 -15.228 1.00 53.22 H new ATOM 0 HB3 PRO A 88 2.039 2.821 -15.223 1.00 53.22 H new ATOM 0 HG2 PRO A 88 2.895 5.526 -16.277 1.00 11.12 H new ATOM 0 HG3 PRO A 88 1.854 4.338 -17.035 1.00 11.12 H new ATOM 0 HD2 PRO A 88 0.806 6.491 -15.737 1.00 51.23 H new ATOM 0 HD3 PRO A 88 -0.023 4.948 -15.731 1.00 51.23 H new ATOM 1379 N GLU A 89 3.744 6.372 -13.509 1.00 13.54 N ATOM 1380 CA GLU A 89 4.902 7.166 -13.056 1.00 44.10 C ATOM 1381 C GLU A 89 4.595 7.916 -11.740 1.00 14.53 C ATOM 1382 O GLU A 89 5.493 8.085 -10.903 1.00 34.31 O ATOM 1383 CB GLU A 89 5.405 8.110 -14.187 1.00 72.34 C ATOM 1384 CG GLU A 89 4.327 8.983 -14.843 1.00 54.52 C ATOM 1385 CD GLU A 89 4.847 9.819 -16.023 1.00 31.04 C ATOM 1386 OE1 GLU A 89 4.883 9.300 -17.161 1.00 64.44 O ATOM 1387 OE2 GLU A 89 5.217 10.995 -15.817 1.00 71.43 O ATOM 0 H GLU A 89 3.111 6.879 -14.128 1.00 13.54 H new ATOM 0 HA GLU A 89 5.719 6.481 -12.831 1.00 44.10 H new ATOM 0 HB2 GLU A 89 6.176 8.762 -13.777 1.00 72.34 H new ATOM 0 HB3 GLU A 89 5.878 7.504 -14.960 1.00 72.34 H new ATOM 0 HG2 GLU A 89 3.516 8.344 -15.191 1.00 54.52 H new ATOM 0 HG3 GLU A 89 3.906 9.652 -14.092 1.00 54.52 H new ATOM 1394 N GLU A 90 3.324 8.340 -11.541 1.00 13.04 N ATOM 1395 CA GLU A 90 2.921 9.078 -10.321 1.00 35.24 C ATOM 1396 C GLU A 90 2.885 8.153 -9.106 1.00 44.11 C ATOM 1397 O GLU A 90 3.330 8.528 -8.022 1.00 31.00 O ATOM 1398 CB GLU A 90 1.547 9.767 -10.465 1.00 40.53 C ATOM 1399 CG GLU A 90 1.161 10.652 -9.256 1.00 5.35 C ATOM 1400 CD GLU A 90 -0.268 11.188 -9.323 1.00 35.52 C ATOM 1401 OE1 GLU A 90 -1.194 10.500 -8.844 1.00 12.32 O ATOM 1402 OE2 GLU A 90 -0.474 12.305 -9.838 1.00 11.25 O ATOM 0 H GLU A 90 2.565 8.185 -12.205 1.00 13.04 H new ATOM 0 HA GLU A 90 3.676 9.851 -10.178 1.00 35.24 H new ATOM 0 HB2 GLU A 90 1.552 10.381 -11.366 1.00 40.53 H new ATOM 0 HB3 GLU A 90 0.781 9.004 -10.604 1.00 40.53 H new ATOM 0 HG2 GLU A 90 1.281 10.074 -8.340 1.00 5.35 H new ATOM 0 HG3 GLU A 90 1.853 11.492 -9.195 1.00 5.35 H new ATOM 1409 N LEU A 91 2.362 6.935 -9.293 1.00 54.13 N ATOM 1410 CA LEU A 91 2.318 5.953 -8.203 1.00 1.11 C ATOM 1411 C LEU A 91 3.758 5.620 -7.749 1.00 32.12 C ATOM 1412 O LEU A 91 4.017 5.537 -6.560 1.00 21.23 O ATOM 1413 CB LEU A 91 1.522 4.678 -8.596 1.00 62.04 C ATOM 1414 CG LEU A 91 -0.010 4.862 -8.863 1.00 24.01 C ATOM 1415 CD1 LEU A 91 -0.686 3.514 -9.196 1.00 64.43 C ATOM 1416 CD2 LEU A 91 -0.705 5.544 -7.671 1.00 42.25 C ATOM 0 H LEU A 91 1.969 6.609 -10.176 1.00 54.13 H new ATOM 0 HA LEU A 91 1.781 6.392 -7.363 1.00 1.11 H new ATOM 0 HB2 LEU A 91 1.976 4.256 -9.493 1.00 62.04 H new ATOM 0 HB3 LEU A 91 1.643 3.942 -7.801 1.00 62.04 H new ATOM 0 HG LEU A 91 -0.116 5.513 -9.731 1.00 24.01 H new ATOM 0 HD11 LEU A 91 -1.749 3.675 -9.376 1.00 64.43 H new ATOM 0 HD12 LEU A 91 -0.227 3.087 -10.088 1.00 64.43 H new ATOM 0 HD13 LEU A 91 -0.560 2.827 -8.359 1.00 64.43 H new ATOM 0 HD21 LEU A 91 -1.767 5.658 -7.886 1.00 42.25 H new ATOM 0 HD22 LEU A 91 -0.579 4.932 -6.778 1.00 42.25 H new ATOM 0 HD23 LEU A 91 -0.261 6.525 -7.504 1.00 42.25 H new ATOM 1428 N THR A 92 4.699 5.541 -8.720 1.00 22.02 N ATOM 1429 CA THR A 92 6.127 5.278 -8.445 1.00 33.54 C ATOM 1430 C THR A 92 6.772 6.419 -7.625 1.00 12.22 C ATOM 1431 O THR A 92 7.491 6.149 -6.654 1.00 31.43 O ATOM 1432 CB THR A 92 6.917 5.063 -9.778 1.00 20.05 C ATOM 1433 OG1 THR A 92 6.307 4.008 -10.542 1.00 64.23 O ATOM 1434 CG2 THR A 92 8.401 4.710 -9.544 1.00 24.55 C ATOM 0 H THR A 92 4.488 5.658 -9.711 1.00 22.02 H new ATOM 0 HA THR A 92 6.179 4.366 -7.850 1.00 33.54 H new ATOM 0 HB THR A 92 6.880 6.008 -10.320 1.00 20.05 H new ATOM 0 HG1 THR A 92 5.634 4.388 -11.145 1.00 64.23 H new ATOM 0 HG21 THR A 92 8.898 4.572 -10.504 1.00 24.55 H new ATOM 0 HG22 THR A 92 8.886 5.519 -8.997 1.00 24.55 H new ATOM 0 HG23 THR A 92 8.469 3.789 -8.965 1.00 24.55 H new ATOM 1442 N GLN A 93 6.481 7.691 -8.002 1.00 70.40 N ATOM 1443 CA GLN A 93 7.073 8.861 -7.321 1.00 71.13 C ATOM 1444 C GLN A 93 6.551 8.978 -5.882 1.00 13.22 C ATOM 1445 O GLN A 93 7.301 9.357 -4.985 1.00 11.24 O ATOM 1446 CB GLN A 93 6.853 10.189 -8.105 1.00 40.34 C ATOM 1447 CG GLN A 93 5.408 10.712 -8.161 1.00 24.21 C ATOM 1448 CD GLN A 93 5.260 12.048 -8.886 1.00 60.22 C ATOM 1449 OE1 GLN A 93 5.328 13.106 -8.268 1.00 53.02 O ATOM 1450 NE2 GLN A 93 5.084 12.019 -10.200 1.00 21.45 N ATOM 0 H GLN A 93 5.847 7.926 -8.766 1.00 70.40 H new ATOM 0 HA GLN A 93 8.150 8.694 -7.288 1.00 71.13 H new ATOM 0 HB2 GLN A 93 7.479 10.960 -7.656 1.00 40.34 H new ATOM 0 HB3 GLN A 93 7.206 10.047 -9.126 1.00 40.34 H new ATOM 0 HG2 GLN A 93 4.783 9.970 -8.657 1.00 24.21 H new ATOM 0 HG3 GLN A 93 5.031 10.818 -7.144 1.00 24.21 H new ATOM 0 HE21 GLN A 93 5.031 11.125 -10.688 1.00 21.45 H new ATOM 0 HE22 GLN A 93 5.001 12.891 -10.723 1.00 21.45 H new ATOM 1459 N ARG A 94 5.276 8.589 -5.670 1.00 33.52 N ATOM 1460 CA ARG A 94 4.633 8.665 -4.351 1.00 41.21 C ATOM 1461 C ARG A 94 5.180 7.569 -3.415 1.00 11.21 C ATOM 1462 O ARG A 94 5.429 7.831 -2.236 1.00 62.21 O ATOM 1463 CB ARG A 94 3.090 8.571 -4.485 1.00 32.20 C ATOM 1464 CG ARG A 94 2.432 9.735 -5.271 1.00 63.02 C ATOM 1465 CD ARG A 94 2.781 11.129 -4.711 1.00 22.12 C ATOM 1466 NE ARG A 94 2.245 12.214 -5.551 1.00 25.14 N ATOM 1467 CZ ARG A 94 2.758 13.454 -5.651 1.00 30.42 C ATOM 1468 NH1 ARG A 94 3.852 13.813 -4.975 1.00 3.24 N ATOM 1469 NH2 ARG A 94 2.159 14.346 -6.422 1.00 71.42 N ATOM 0 H ARG A 94 4.673 8.218 -6.404 1.00 33.52 H new ATOM 0 HA ARG A 94 4.870 9.632 -3.908 1.00 41.21 H new ATOM 0 HB2 ARG A 94 2.839 7.631 -4.977 1.00 32.20 H new ATOM 0 HB3 ARG A 94 2.654 8.534 -3.486 1.00 32.20 H new ATOM 0 HG2 ARG A 94 2.745 9.682 -6.314 1.00 63.02 H new ATOM 0 HG3 ARG A 94 1.350 9.607 -5.257 1.00 63.02 H new ATOM 0 HD2 ARG A 94 2.383 11.223 -3.701 1.00 22.12 H new ATOM 0 HD3 ARG A 94 3.864 11.229 -4.638 1.00 22.12 H new ATOM 0 HE ARG A 94 1.413 12.008 -6.104 1.00 25.14 H new ATOM 0 HH11 ARG A 94 4.318 13.141 -4.366 1.00 3.24 H new ATOM 0 HH12 ARG A 94 4.221 14.759 -5.068 1.00 3.24 H new ATOM 0 HH21 ARG A 94 1.315 14.092 -6.935 1.00 71.42 H new ATOM 0 HH22 ARG A 94 2.541 15.288 -6.504 1.00 71.42 H new ATOM 1483 N VAL A 95 5.380 6.355 -3.964 1.00 14.33 N ATOM 1484 CA VAL A 95 5.968 5.215 -3.230 1.00 3.00 C ATOM 1485 C VAL A 95 7.389 5.560 -2.738 1.00 64.30 C ATOM 1486 O VAL A 95 7.675 5.472 -1.539 1.00 53.34 O ATOM 1487 CB VAL A 95 5.993 3.916 -4.137 1.00 54.22 C ATOM 1488 CG1 VAL A 95 6.835 2.766 -3.527 1.00 72.40 C ATOM 1489 CG2 VAL A 95 4.556 3.431 -4.435 1.00 14.31 C ATOM 0 H VAL A 95 5.138 6.136 -4.930 1.00 14.33 H new ATOM 0 HA VAL A 95 5.343 5.012 -2.360 1.00 3.00 H new ATOM 0 HB VAL A 95 6.479 4.201 -5.070 1.00 54.22 H new ATOM 0 HG11 VAL A 95 6.813 1.905 -4.195 1.00 72.40 H new ATOM 0 HG12 VAL A 95 7.865 3.098 -3.397 1.00 72.40 H new ATOM 0 HG13 VAL A 95 6.420 2.485 -2.559 1.00 72.40 H new ATOM 0 HG21 VAL A 95 4.595 2.538 -5.059 1.00 14.31 H new ATOM 0 HG22 VAL A 95 4.049 3.197 -3.499 1.00 14.31 H new ATOM 0 HG23 VAL A 95 4.008 4.215 -4.958 1.00 14.31 H new ATOM 1499 N ARG A 96 8.242 6.026 -3.671 1.00 22.35 N ATOM 1500 CA ARG A 96 9.673 6.249 -3.400 1.00 70.03 C ATOM 1501 C ARG A 96 9.905 7.450 -2.455 1.00 53.23 C ATOM 1502 O ARG A 96 10.819 7.415 -1.624 1.00 62.23 O ATOM 1503 CB ARG A 96 10.473 6.413 -4.730 1.00 52.24 C ATOM 1504 CG ARG A 96 10.176 7.702 -5.522 1.00 10.51 C ATOM 1505 CD ARG A 96 10.864 7.744 -6.899 1.00 63.22 C ATOM 1506 NE ARG A 96 12.340 7.745 -6.814 1.00 30.30 N ATOM 1507 CZ ARG A 96 13.175 8.351 -7.687 1.00 53.30 C ATOM 1508 NH1 ARG A 96 12.703 9.035 -8.740 1.00 33.31 N ATOM 1509 NH2 ARG A 96 14.490 8.270 -7.492 1.00 1.11 N ATOM 0 H ARG A 96 7.961 6.256 -4.624 1.00 22.35 H new ATOM 0 HA ARG A 96 10.047 5.364 -2.885 1.00 70.03 H new ATOM 0 HB2 ARG A 96 11.538 6.385 -4.500 1.00 52.24 H new ATOM 0 HB3 ARG A 96 10.262 5.556 -5.370 1.00 52.24 H new ATOM 0 HG2 ARG A 96 9.099 7.796 -5.659 1.00 10.51 H new ATOM 0 HG3 ARG A 96 10.499 8.563 -4.936 1.00 10.51 H new ATOM 0 HD2 ARG A 96 10.541 6.884 -7.485 1.00 63.22 H new ATOM 0 HD3 ARG A 96 10.537 8.636 -7.434 1.00 63.22 H new ATOM 0 HE ARG A 96 12.763 7.247 -6.031 1.00 30.30 H new ATOM 0 HH11 ARG A 96 11.697 9.105 -8.893 1.00 33.31 H new ATOM 0 HH12 ARG A 96 13.350 9.485 -9.387 1.00 33.31 H new ATOM 0 HH21 ARG A 96 14.856 7.755 -6.691 1.00 1.11 H new ATOM 0 HH22 ARG A 96 15.131 8.723 -8.143 1.00 1.11 H new ATOM 1523 N GLU A 97 9.071 8.518 -2.591 1.00 54.01 N ATOM 1524 CA GLU A 97 9.189 9.718 -1.735 1.00 35.04 C ATOM 1525 C GLU A 97 8.694 9.417 -0.314 1.00 24.23 C ATOM 1526 O GLU A 97 9.258 9.928 0.649 1.00 61.33 O ATOM 1527 CB GLU A 97 8.433 10.945 -2.324 1.00 34.23 C ATOM 1528 CG GLU A 97 6.891 10.904 -2.208 1.00 41.50 C ATOM 1529 CD GLU A 97 6.198 12.097 -2.882 1.00 15.13 C ATOM 1530 OE1 GLU A 97 6.006 12.064 -4.112 1.00 25.13 O ATOM 1531 OE2 GLU A 97 5.842 13.077 -2.187 1.00 50.30 O ATOM 0 H GLU A 97 8.320 8.567 -3.279 1.00 54.01 H new ATOM 0 HA GLU A 97 10.247 9.979 -1.698 1.00 35.04 H new ATOM 0 HB2 GLU A 97 8.792 11.844 -1.823 1.00 34.23 H new ATOM 0 HB3 GLU A 97 8.697 11.039 -3.377 1.00 34.23 H new ATOM 0 HG2 GLU A 97 6.525 9.980 -2.655 1.00 41.50 H new ATOM 0 HG3 GLU A 97 6.614 10.880 -1.154 1.00 41.50 H new ATOM 1538 N PHE A 98 7.639 8.570 -0.196 1.00 42.12 N ATOM 1539 CA PHE A 98 7.048 8.187 1.101 1.00 71.10 C ATOM 1540 C PHE A 98 8.041 7.342 1.904 1.00 55.32 C ATOM 1541 O PHE A 98 8.236 7.568 3.099 1.00 23.24 O ATOM 1542 CB PHE A 98 5.728 7.408 0.878 1.00 2.42 C ATOM 1543 CG PHE A 98 5.016 6.965 2.160 1.00 71.42 C ATOM 1544 CD1 PHE A 98 4.160 7.834 2.838 1.00 52.52 C ATOM 1545 CD2 PHE A 98 5.200 5.682 2.687 1.00 60.31 C ATOM 1546 CE1 PHE A 98 3.521 7.438 3.996 1.00 30.20 C ATOM 1547 CE2 PHE A 98 4.560 5.295 3.847 1.00 52.45 C ATOM 1548 CZ PHE A 98 3.722 6.168 4.496 1.00 54.32 C ATOM 0 H PHE A 98 7.180 8.138 -0.998 1.00 42.12 H new ATOM 0 HA PHE A 98 6.824 9.091 1.668 1.00 71.10 H new ATOM 0 HB2 PHE A 98 5.048 8.033 0.299 1.00 2.42 H new ATOM 0 HB3 PHE A 98 5.941 6.526 0.275 1.00 2.42 H new ATOM 0 HD1 PHE A 98 3.995 8.829 2.452 1.00 52.52 H new ATOM 0 HD2 PHE A 98 5.851 4.986 2.180 1.00 60.31 H new ATOM 0 HE1 PHE A 98 2.863 8.123 4.511 1.00 30.20 H new ATOM 0 HE2 PHE A 98 4.719 4.304 4.245 1.00 52.45 H new ATOM 0 HZ PHE A 98 3.219 5.860 5.400 1.00 54.32 H new ATOM 1558 N LEU A 99 8.680 6.380 1.217 1.00 12.30 N ATOM 1559 CA LEU A 99 9.696 5.514 1.826 1.00 74.45 C ATOM 1560 C LEU A 99 10.956 6.321 2.200 1.00 4.35 C ATOM 1561 O LEU A 99 11.719 5.917 3.074 1.00 24.23 O ATOM 1562 CB LEU A 99 10.031 4.325 0.879 1.00 1.41 C ATOM 1563 CG LEU A 99 8.840 3.346 0.580 1.00 75.34 C ATOM 1564 CD1 LEU A 99 9.222 2.278 -0.460 1.00 41.11 C ATOM 1565 CD2 LEU A 99 8.313 2.690 1.869 1.00 11.22 C ATOM 0 H LEU A 99 8.506 6.184 0.231 1.00 12.30 H new ATOM 0 HA LEU A 99 9.294 5.100 2.751 1.00 74.45 H new ATOM 0 HB2 LEU A 99 10.395 4.727 -0.067 1.00 1.41 H new ATOM 0 HB3 LEU A 99 10.848 3.753 1.317 1.00 1.41 H new ATOM 0 HG LEU A 99 8.036 3.947 0.154 1.00 75.34 H new ATOM 0 HD11 LEU A 99 8.370 1.622 -0.638 1.00 41.11 H new ATOM 0 HD12 LEU A 99 9.506 2.764 -1.393 1.00 41.11 H new ATOM 0 HD13 LEU A 99 10.061 1.690 -0.087 1.00 41.11 H new ATOM 0 HD21 LEU A 99 7.489 2.019 1.625 1.00 11.22 H new ATOM 0 HD22 LEU A 99 9.115 2.124 2.343 1.00 11.22 H new ATOM 0 HD23 LEU A 99 7.961 3.462 2.553 1.00 11.22 H new ATOM 1577 N LYS A 100 11.139 7.489 1.560 1.00 23.13 N ATOM 1578 CA LYS A 100 12.273 8.384 1.833 1.00 74.41 C ATOM 1579 C LYS A 100 11.958 9.349 3.001 1.00 54.20 C ATOM 1580 O LYS A 100 12.826 9.614 3.837 1.00 22.35 O ATOM 1581 CB LYS A 100 12.642 9.170 0.554 1.00 23.12 C ATOM 1582 CG LYS A 100 13.922 10.036 0.665 1.00 11.13 C ATOM 1583 CD LYS A 100 14.309 10.705 -0.676 1.00 4.43 C ATOM 1584 CE LYS A 100 14.553 9.679 -1.797 1.00 22.11 C ATOM 1585 NZ LYS A 100 14.991 10.313 -3.073 1.00 70.32 N ATOM 0 H LYS A 100 10.505 7.837 0.841 1.00 23.13 H new ATOM 0 HA LYS A 100 13.127 7.777 2.133 1.00 74.41 H new ATOM 0 HB2 LYS A 100 12.770 8.462 -0.265 1.00 23.12 H new ATOM 0 HB3 LYS A 100 11.806 9.817 0.289 1.00 23.12 H new ATOM 0 HG2 LYS A 100 13.770 10.807 1.420 1.00 11.13 H new ATOM 0 HG3 LYS A 100 14.748 9.413 1.007 1.00 11.13 H new ATOM 0 HD2 LYS A 100 13.516 11.389 -0.980 1.00 4.43 H new ATOM 0 HD3 LYS A 100 15.209 11.304 -0.533 1.00 4.43 H new ATOM 0 HE2 LYS A 100 15.310 8.966 -1.472 1.00 22.11 H new ATOM 0 HE3 LYS A 100 13.637 9.114 -1.972 1.00 22.11 H new ATOM 0 HZ1 LYS A 100 15.141 9.577 -3.793 1.00 70.32 H new ATOM 0 HZ2 LYS A 100 14.259 10.974 -3.401 1.00 70.32 H new ATOM 0 HZ3 LYS A 100 15.880 10.830 -2.917 1.00 70.32 H new ATOM 1599 N THR A 101 10.700 9.840 3.089 1.00 24.01 N ATOM 1600 CA THR A 101 10.345 10.949 4.012 1.00 51.55 C ATOM 1601 C THR A 101 9.769 10.426 5.338 1.00 32.41 C ATOM 1602 O THR A 101 9.863 11.093 6.365 1.00 0.12 O ATOM 1603 CB THR A 101 9.351 11.980 3.365 1.00 22.52 C ATOM 1604 OG1 THR A 101 9.244 13.148 4.206 1.00 31.12 O ATOM 1605 CG2 THR A 101 7.936 11.406 3.130 1.00 21.05 C ATOM 0 H THR A 101 9.917 9.490 2.537 1.00 24.01 H new ATOM 0 HA THR A 101 11.279 11.472 4.219 1.00 51.55 H new ATOM 0 HB THR A 101 9.765 12.233 2.389 1.00 22.52 H new ATOM 0 HG1 THR A 101 8.625 13.789 3.798 1.00 31.12 H new ATOM 0 HG21 THR A 101 7.303 12.171 2.681 1.00 21.05 H new ATOM 0 HG22 THR A 101 7.998 10.548 2.461 1.00 21.05 H new ATOM 0 HG23 THR A 101 7.508 11.093 4.082 1.00 21.05 H new ATOM 1613 N ALA A 102 9.132 9.255 5.299 1.00 43.21 N ATOM 1614 CA ALA A 102 8.606 8.598 6.512 1.00 12.22 C ATOM 1615 C ALA A 102 9.641 7.638 7.134 1.00 2.15 C ATOM 1616 O ALA A 102 9.321 6.932 8.096 1.00 43.44 O ATOM 1617 CB ALA A 102 7.296 7.874 6.170 1.00 31.41 C ATOM 0 H ALA A 102 8.964 8.734 4.439 1.00 43.21 H new ATOM 0 HA ALA A 102 8.402 9.360 7.265 1.00 12.22 H new ATOM 0 HB1 ALA A 102 6.905 7.388 7.064 1.00 31.41 H new ATOM 0 HB2 ALA A 102 6.567 8.596 5.801 1.00 31.41 H new ATOM 0 HB3 ALA A 102 7.485 7.124 5.402 1.00 31.41 H new ATOM 1623 N GLY A 103 10.890 7.637 6.606 1.00 24.51 N ATOM 1624 CA GLY A 103 11.931 6.707 7.067 1.00 71.42 C ATOM 1625 C GLY A 103 13.354 7.245 6.918 1.00 62.32 C ATOM 1626 O GLY A 103 14.056 7.447 7.921 1.00 62.45 O ATOM 0 H GLY A 103 11.192 8.269 5.865 1.00 24.51 H new ATOM 0 HA2 GLY A 103 11.752 6.467 8.115 1.00 71.42 H new ATOM 0 HA3 GLY A 103 11.845 5.775 6.508 1.00 71.42 H new ATOM 1630 N SER A 104 13.771 7.513 5.667 1.00 20.43 N ATOM 1631 CA SER A 104 15.191 7.779 5.321 1.00 74.34 C ATOM 1632 C SER A 104 15.619 9.256 5.517 1.00 23.33 C ATOM 1633 O SER A 104 16.628 9.678 4.932 1.00 44.33 O ATOM 1634 CB SER A 104 15.424 7.343 3.849 1.00 54.24 C ATOM 1635 OG SER A 104 15.070 5.983 3.648 1.00 73.24 O ATOM 0 H SER A 104 13.141 7.553 4.866 1.00 20.43 H new ATOM 0 HA SER A 104 15.810 7.203 6.009 1.00 74.34 H new ATOM 0 HB2 SER A 104 14.836 7.975 3.184 1.00 54.24 H new ATOM 0 HB3 SER A 104 16.471 7.490 3.586 1.00 54.24 H new ATOM 0 HG SER A 104 15.226 5.739 2.712 1.00 73.24 H new ATOM 1641 N LEU A 105 14.886 10.019 6.362 1.00 52.51 N ATOM 1642 CA LEU A 105 15.159 11.458 6.593 1.00 21.44 C ATOM 1643 C LEU A 105 16.576 11.726 7.150 1.00 71.42 C ATOM 1644 O LEU A 105 17.113 10.954 7.957 1.00 53.42 O ATOM 1645 CB LEU A 105 14.107 12.101 7.556 1.00 33.12 C ATOM 1646 CG LEU A 105 12.694 12.370 6.968 1.00 50.55 C ATOM 1647 CD1 LEU A 105 11.790 13.093 7.995 1.00 63.41 C ATOM 1648 CD2 LEU A 105 12.783 13.168 5.651 1.00 33.00 C ATOM 0 H LEU A 105 14.096 9.659 6.898 1.00 52.51 H new ATOM 0 HA LEU A 105 15.087 11.921 5.609 1.00 21.44 H new ATOM 0 HB2 LEU A 105 13.996 11.449 8.423 1.00 33.12 H new ATOM 0 HB3 LEU A 105 14.510 13.047 7.918 1.00 33.12 H new ATOM 0 HG LEU A 105 12.239 11.405 6.744 1.00 50.55 H new ATOM 0 HD11 LEU A 105 10.808 13.268 7.556 1.00 63.41 H new ATOM 0 HD12 LEU A 105 11.684 12.474 8.886 1.00 63.41 H new ATOM 0 HD13 LEU A 105 12.241 14.047 8.268 1.00 63.41 H new ATOM 0 HD21 LEU A 105 11.780 13.342 5.262 1.00 33.00 H new ATOM 0 HD22 LEU A 105 13.270 14.125 5.838 1.00 33.00 H new ATOM 0 HD23 LEU A 105 13.362 12.602 4.921 1.00 33.00 H new ATOM 1660 N GLU A 106 17.154 12.839 6.683 1.00 54.23 N ATOM 1661 CA GLU A 106 18.349 13.465 7.275 1.00 54.12 C ATOM 1662 C GLU A 106 17.905 14.326 8.484 1.00 42.12 C ATOM 1663 O GLU A 106 16.704 14.559 8.667 1.00 71.41 O ATOM 1664 CB GLU A 106 19.076 14.305 6.189 1.00 41.22 C ATOM 1665 CG GLU A 106 19.604 13.465 4.990 1.00 51.43 C ATOM 1666 CD GLU A 106 20.170 14.302 3.826 1.00 30.33 C ATOM 1667 OE1 GLU A 106 20.838 15.325 4.084 1.00 3.33 O ATOM 1668 OE2 GLU A 106 19.959 13.936 2.645 1.00 64.32 O ATOM 0 H GLU A 106 16.800 13.341 5.869 1.00 54.23 H new ATOM 0 HA GLU A 106 19.053 12.714 7.633 1.00 54.12 H new ATOM 0 HB2 GLU A 106 18.392 15.066 5.813 1.00 41.22 H new ATOM 0 HB3 GLU A 106 19.913 14.829 6.649 1.00 41.22 H new ATOM 0 HG2 GLU A 106 20.382 12.791 5.349 1.00 51.43 H new ATOM 0 HG3 GLU A 106 18.793 12.843 4.613 1.00 51.43 H new ATOM 1675 N HIS A 107 18.882 14.771 9.311 1.00 60.34 N ATOM 1676 CA HIS A 107 18.634 15.435 10.630 1.00 43.15 C ATOM 1677 C HIS A 107 17.974 14.441 11.621 1.00 24.30 C ATOM 1678 O HIS A 107 17.403 14.835 12.643 1.00 4.44 O ATOM 1679 CB HIS A 107 17.776 16.734 10.510 1.00 21.01 C ATOM 1680 CG HIS A 107 18.346 17.783 9.598 1.00 5.11 C ATOM 1681 ND1 HIS A 107 19.117 18.836 10.043 1.00 62.10 N ATOM 1682 CD2 HIS A 107 18.242 17.948 8.259 1.00 42.22 C ATOM 1683 CE1 HIS A 107 19.452 19.595 9.023 1.00 50.03 C ATOM 1684 NE2 HIS A 107 18.938 19.079 7.931 1.00 21.35 N ATOM 0 H HIS A 107 19.873 14.682 9.087 1.00 60.34 H new ATOM 0 HA HIS A 107 19.608 15.739 11.014 1.00 43.15 H new ATOM 0 HB2 HIS A 107 16.782 16.464 10.154 1.00 21.01 H new ATOM 0 HB3 HIS A 107 17.653 17.164 11.504 1.00 21.01 H new ATOM 0 HD2 HIS A 107 17.708 17.305 7.575 1.00 42.22 H new ATOM 0 HE1 HIS A 107 20.050 20.493 9.075 1.00 50.03 H new ATOM 0 HE2 HIS A 107 19.041 19.460 6.990 1.00 21.35 H new ATOM 1693 N HIS A 108 18.089 13.142 11.307 1.00 23.40 N ATOM 1694 CA HIS A 108 17.550 12.043 12.122 1.00 21.12 C ATOM 1695 C HIS A 108 18.731 11.264 12.713 1.00 12.52 C ATOM 1696 O HIS A 108 19.817 11.248 12.116 1.00 72.42 O ATOM 1697 CB HIS A 108 16.656 11.134 11.235 1.00 62.14 C ATOM 1698 CG HIS A 108 15.908 10.047 11.968 1.00 72.11 C ATOM 1699 ND1 HIS A 108 14.676 10.248 12.555 1.00 3.04 N ATOM 1700 CD2 HIS A 108 16.216 8.746 12.201 1.00 42.34 C ATOM 1701 CE1 HIS A 108 14.263 9.124 13.106 1.00 43.14 C ATOM 1702 NE2 HIS A 108 15.179 8.203 12.907 1.00 74.04 N ATOM 0 H HIS A 108 18.567 12.820 10.465 1.00 23.40 H new ATOM 0 HA HIS A 108 16.933 12.424 12.936 1.00 21.12 H new ATOM 0 HB2 HIS A 108 15.933 11.762 10.715 1.00 62.14 H new ATOM 0 HB3 HIS A 108 17.282 10.670 10.473 1.00 62.14 H new ATOM 0 HD2 HIS A 108 17.114 8.235 11.887 1.00 42.34 H new ATOM 0 HE1 HIS A 108 13.330 8.984 13.632 1.00 43.14 H new ATOM 0 HE2 HIS A 108 15.125 7.236 13.228 1.00 74.04 H new ATOM 1711 N HIS A 109 18.535 10.658 13.898 1.00 2.11 N ATOM 1712 CA HIS A 109 19.537 9.772 14.518 1.00 65.32 C ATOM 1713 C HIS A 109 19.886 8.616 13.551 1.00 1.45 C ATOM 1714 O HIS A 109 19.025 7.779 13.262 1.00 0.20 O ATOM 1715 CB HIS A 109 19.003 9.223 15.865 1.00 53.40 C ATOM 1716 CG HIS A 109 19.926 8.233 16.531 1.00 42.20 C ATOM 1717 ND1 HIS A 109 19.929 6.888 16.221 1.00 43.45 N ATOM 1718 CD2 HIS A 109 20.892 8.400 17.466 1.00 2.15 C ATOM 1719 CE1 HIS A 109 20.859 6.281 16.920 1.00 53.22 C ATOM 1720 NE2 HIS A 109 21.456 7.174 17.680 1.00 31.55 N ATOM 0 H HIS A 109 17.684 10.767 14.449 1.00 2.11 H new ATOM 0 HA HIS A 109 20.445 10.341 14.718 1.00 65.32 H new ATOM 0 HB2 HIS A 109 18.831 10.058 16.544 1.00 53.40 H new ATOM 0 HB3 HIS A 109 18.037 8.747 15.695 1.00 53.40 H new ATOM 0 HD2 HIS A 109 21.165 9.326 17.950 1.00 2.15 H new ATOM 0 HE1 HIS A 109 21.094 5.228 16.879 1.00 53.22 H new ATOM 0 HE2 HIS A 109 22.220 6.981 18.328 1.00 31.55 H new ATOM 1729 N HIS A 110 21.146 8.603 13.058 1.00 11.14 N ATOM 1730 CA HIS A 110 21.595 7.689 11.984 1.00 42.11 C ATOM 1731 C HIS A 110 21.482 6.210 12.403 1.00 22.33 C ATOM 1732 O HIS A 110 21.687 5.866 13.575 1.00 22.33 O ATOM 1733 CB HIS A 110 23.037 8.048 11.511 1.00 74.24 C ATOM 1734 CG HIS A 110 24.120 8.026 12.575 1.00 3.23 C ATOM 1735 ND1 HIS A 110 24.761 9.168 13.025 1.00 51.51 N ATOM 1736 CD2 HIS A 110 24.721 6.996 13.230 1.00 43.33 C ATOM 1737 CE1 HIS A 110 25.692 8.838 13.895 1.00 41.10 C ATOM 1738 NE2 HIS A 110 25.689 7.534 14.037 1.00 64.53 N ATOM 0 H HIS A 110 21.880 9.227 13.394 1.00 11.14 H new ATOM 0 HA HIS A 110 20.925 7.826 11.135 1.00 42.11 H new ATOM 0 HB2 HIS A 110 23.320 7.353 10.720 1.00 74.24 H new ATOM 0 HB3 HIS A 110 23.014 9.043 11.068 1.00 74.24 H new ATOM 0 HD2 HIS A 110 24.480 5.948 13.132 1.00 43.33 H new ATOM 0 HE1 HIS A 110 26.349 9.526 14.407 1.00 41.10 H new ATOM 0 HE2 HIS A 110 26.309 7.005 14.650 1.00 64.53 H new ATOM 1747 N HIS A 111 21.153 5.360 11.416 1.00 44.34 N ATOM 1748 CA HIS A 111 20.836 3.936 11.629 1.00 73.41 C ATOM 1749 C HIS A 111 22.068 3.128 12.087 1.00 33.50 C ATOM 1750 O HIS A 111 23.216 3.519 11.831 1.00 74.41 O ATOM 1751 CB HIS A 111 20.239 3.318 10.330 1.00 70.32 C ATOM 1752 CG HIS A 111 21.206 3.211 9.176 1.00 33.42 C ATOM 1753 ND1 HIS A 111 22.235 2.288 9.132 1.00 10.25 N ATOM 1754 CD2 HIS A 111 21.300 3.916 8.022 1.00 41.13 C ATOM 1755 CE1 HIS A 111 22.914 2.444 8.018 1.00 32.20 C ATOM 1756 NE2 HIS A 111 22.369 3.420 7.325 1.00 3.31 N ATOM 0 H HIS A 111 21.099 5.644 10.438 1.00 44.34 H new ATOM 0 HA HIS A 111 20.097 3.883 12.428 1.00 73.41 H new ATOM 0 HB2 HIS A 111 19.858 2.323 10.560 1.00 70.32 H new ATOM 0 HB3 HIS A 111 19.387 3.921 10.016 1.00 70.32 H new ATOM 0 HD1 HIS A 111 22.436 1.594 9.852 1.00 10.25 H new ATOM 0 HD2 HIS A 111 20.651 4.721 7.710 1.00 41.13 H new ATOM 0 HE1 HIS A 111 23.777 1.866 7.721 1.00 32.20 H new ATOM 1765 N HIS A 112 21.810 1.992 12.746 1.00 34.10 N ATOM 1766 CA HIS A 112 22.850 1.035 13.151 1.00 71.24 C ATOM 1767 C HIS A 112 22.974 -0.045 12.050 1.00 70.05 C ATOM 1768 O HIS A 112 22.273 -1.081 12.125 1.00 65.42 O ATOM 1769 CB HIS A 112 22.517 0.424 14.545 1.00 13.53 C ATOM 1770 CG HIS A 112 22.377 1.446 15.641 1.00 35.14 C ATOM 1771 ND1 HIS A 112 21.184 1.713 16.275 1.00 15.41 N ATOM 1772 CD2 HIS A 112 23.291 2.260 16.224 1.00 14.31 C ATOM 1773 CE1 HIS A 112 21.367 2.649 17.181 1.00 41.33 C ATOM 1774 NE2 HIS A 112 22.634 2.995 17.175 1.00 42.21 N ATOM 1775 OXT HIS A 112 23.713 0.192 11.068 1.00 37.12 O ATOM 0 H HIS A 112 20.868 1.708 13.016 1.00 34.10 H new ATOM 0 HA HIS A 112 23.812 1.537 13.257 1.00 71.24 H new ATOM 0 HB2 HIS A 112 21.589 -0.143 14.470 1.00 13.53 H new ATOM 0 HB3 HIS A 112 23.301 -0.282 14.818 1.00 13.53 H new ATOM 0 HD2 HIS A 112 24.342 2.318 15.983 1.00 14.31 H new ATOM 0 HE1 HIS A 112 20.603 3.064 17.822 1.00 41.33 H new ATOM 0 HE2 HIS A 112 23.060 3.697 17.780 1.00 42.21 H new TER 1784 HIS A 112