USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=31 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 63 GLN : amide:sc= -0.823 K(o=-1.8,f=-7.2) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.0296 K(o=-1.8,f=-4.4) USER MOD Set 1.3: A 70 GLN :FLIP amide:sc= -0.231 F(o=-3,f=-1.8) USER MOD Set 1.4: A 84 LYS NZ :NH3+ -175:sc= -0.774 (180deg=-0.732) USER MOD Set 2.1: A 62 SER OG : rot 171:sc= 0.567 USER MOD Set 2.2: A 64 ASN :FLIP amide:sc= 0.507 F(o=0,f=1.1) USER MOD Set 3.1: A 46 SER OG : rot 180:sc= 0.105 USER MOD Set 3.2: A 50 ASN : amide:sc= 1.46 K(o=1.6,f=0.59) USER MOD Set 4.1: A 30 TYR OH : rot 180:sc= 0.36 USER MOD Set 4.2: A 52 LYS NZ :NH3+ -172:sc= 0.383 (180deg=0) USER MOD Single : A 1 MET CE :methyl 133:sc= -0.151 (180deg=-0.677) USER MOD Single : A 1 MET N :NH3+ -163:sc= 1.69 (180deg=0.863) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -1.19 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 160:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.305 F(o=-0.9,f=-0.31) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00883) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN :FLIP amide:sc=-0.00133 F(o=-1.6,f=-0.0013) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.424 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 35 THR OG1 : rot 34:sc= 0.28 USER MOD Single : A 36 SER OG : rot 160:sc= -0.49 USER MOD Single : A 37 SER OG : rot -113:sc= 0.23 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -162:sc= -0.0406 (180deg=-0.569) USER MOD Single : A 48 LYS NZ :NH3+ 139:sc= -1.38 (180deg=-3.92!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.59) 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= -0.858 USER MOD Single : A 85 SER OG : rot -2:sc= 0.168 USER MOD Single : A 86 THR OG1 : rot 46:sc= 0.435 USER MOD Single : A 92 THR OG1 : rot 93:sc= -0.647! USER MOD Single : A 93 GLN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot -84:sc= 0.532 USER MOD Single : A 104 SER OG : rot -35:sc= 0.299 USER MOD Single : A 107 HIS : no HD1:sc= -0.155 X(o=-0.15,f=0.022) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 110 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=0.0021) USER MOD Single : A 111 HIS : no HD1:sc=-0.00666 X(o=-0.0067,f=-0.0067) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.704 0.657 15.598 1.00 4.43 N ATOM 2 CA MET A 1 3.736 1.542 14.923 1.00 44.35 C ATOM 3 C MET A 1 4.448 2.296 13.795 1.00 1.53 C ATOM 4 O MET A 1 5.549 2.829 13.986 1.00 41.11 O ATOM 5 CB MET A 1 3.082 2.518 15.944 1.00 32.12 C ATOM 6 CG MET A 1 4.048 3.501 16.635 1.00 41.01 C ATOM 7 SD MET A 1 3.269 4.432 17.969 1.00 70.00 S ATOM 8 CE MET A 1 2.905 3.123 19.143 1.00 11.23 C ATOM 0 H1 MET A 1 4.192 -0.056 16.156 1.00 4.43 H new ATOM 0 H2 MET A 1 5.294 0.181 14.886 1.00 4.43 H new ATOM 0 H3 MET A 1 5.309 1.221 16.228 1.00 4.43 H new ATOM 0 HA MET A 1 2.932 0.946 14.490 1.00 44.35 H new ATOM 0 HB2 MET A 1 2.313 3.093 15.429 1.00 32.12 H new ATOM 0 HB3 MET A 1 2.579 1.930 16.712 1.00 32.12 H new ATOM 0 HG2 MET A 1 4.898 2.947 17.034 1.00 41.01 H new ATOM 0 HG3 MET A 1 4.441 4.197 15.894 1.00 41.01 H new ATOM 0 HE1 MET A 1 3.223 3.429 20.140 1.00 11.23 H new ATOM 0 HE2 MET A 1 1.833 2.927 19.148 1.00 11.23 H new ATOM 0 HE3 MET A 1 3.438 2.217 18.855 1.00 11.23 H new ATOM 20 N GLY A 2 3.841 2.290 12.611 1.00 13.40 N ATOM 21 CA GLY A 2 4.398 2.953 11.437 1.00 63.04 C ATOM 22 C GLY A 2 3.313 3.257 10.431 1.00 22.55 C ATOM 23 O GLY A 2 2.188 2.746 10.557 1.00 4.40 O ATOM 0 H GLY A 2 2.949 1.825 12.439 1.00 13.40 H new ATOM 0 HA2 GLY A 2 4.893 3.877 11.736 1.00 63.04 H new ATOM 0 HA3 GLY A 2 5.157 2.318 10.980 1.00 63.04 H new ATOM 27 N LYS A 3 3.637 4.086 9.430 1.00 53.41 N ATOM 28 CA LYS A 3 2.671 4.481 8.395 1.00 33.05 C ATOM 29 C LYS A 3 2.835 3.616 7.145 1.00 62.53 C ATOM 30 O LYS A 3 3.944 3.432 6.655 1.00 71.22 O ATOM 31 CB LYS A 3 2.799 5.979 8.022 1.00 61.41 C ATOM 32 CG LYS A 3 1.711 6.460 7.022 1.00 30.21 C ATOM 33 CD LYS A 3 1.806 7.955 6.674 1.00 72.14 C ATOM 34 CE LYS A 3 1.509 8.878 7.863 1.00 14.15 C ATOM 35 NZ LYS A 3 1.733 10.306 7.520 1.00 10.54 N ATOM 0 H LYS A 3 4.563 4.497 9.314 1.00 53.41 H new ATOM 0 HA LYS A 3 1.676 4.325 8.811 1.00 33.05 H new ATOM 0 HB2 LYS A 3 2.738 6.579 8.930 1.00 61.41 H new ATOM 0 HB3 LYS A 3 3.784 6.155 7.589 1.00 61.41 H new ATOM 0 HG2 LYS A 3 1.791 5.877 6.104 1.00 30.21 H new ATOM 0 HG3 LYS A 3 0.727 6.257 7.444 1.00 30.21 H new ATOM 0 HD2 LYS A 3 2.806 8.170 6.298 1.00 72.14 H new ATOM 0 HD3 LYS A 3 1.107 8.178 5.867 1.00 72.14 H new ATOM 0 HE2 LYS A 3 0.476 8.738 8.183 1.00 14.15 H new ATOM 0 HE3 LYS A 3 2.144 8.602 8.705 1.00 14.15 H new ATOM 0 HZ1 LYS A 3 1.522 10.899 8.348 1.00 10.54 H new ATOM 0 HZ2 LYS A 3 2.725 10.444 7.239 1.00 10.54 H new ATOM 0 HZ3 LYS A 3 1.109 10.576 6.733 1.00 10.54 H new ATOM 49 N VAL A 4 1.714 3.098 6.646 1.00 10.24 N ATOM 50 CA VAL A 4 1.637 2.380 5.374 1.00 23.14 C ATOM 51 C VAL A 4 1.250 3.372 4.261 1.00 12.13 C ATOM 52 O VAL A 4 0.531 4.324 4.523 1.00 40.34 O ATOM 53 CB VAL A 4 0.565 1.238 5.459 1.00 35.11 C ATOM 54 CG1 VAL A 4 0.468 0.460 4.132 1.00 42.50 C ATOM 55 CG2 VAL A 4 0.852 0.283 6.648 1.00 20.21 C ATOM 0 H VAL A 4 0.816 3.167 7.124 1.00 10.24 H new ATOM 0 HA VAL A 4 2.606 1.933 5.153 1.00 23.14 H new ATOM 0 HB VAL A 4 -0.402 1.709 5.638 1.00 35.11 H new ATOM 0 HG11 VAL A 4 -0.283 -0.324 4.224 1.00 42.50 H new ATOM 0 HG12 VAL A 4 0.185 1.142 3.330 1.00 42.50 H new ATOM 0 HG13 VAL A 4 1.434 0.011 3.902 1.00 42.50 H new ATOM 0 HG21 VAL A 4 0.092 -0.497 6.680 1.00 20.21 H new ATOM 0 HG22 VAL A 4 1.834 -0.172 6.520 1.00 20.21 H new ATOM 0 HG23 VAL A 4 0.832 0.847 7.581 1.00 20.21 H new ATOM 65 N LEU A 5 1.753 3.172 3.036 1.00 33.33 N ATOM 66 CA LEU A 5 1.265 3.888 1.850 1.00 62.23 C ATOM 67 C LEU A 5 0.277 2.975 1.119 1.00 64.43 C ATOM 68 O LEU A 5 0.676 1.967 0.531 1.00 24.14 O ATOM 69 CB LEU A 5 2.425 4.289 0.912 1.00 31.52 C ATOM 70 CG LEU A 5 2.014 5.134 -0.339 1.00 13.04 C ATOM 71 CD1 LEU A 5 1.387 6.483 0.075 1.00 14.45 C ATOM 72 CD2 LEU A 5 3.205 5.335 -1.291 1.00 44.43 C ATOM 0 H LEU A 5 2.506 2.513 2.839 1.00 33.33 H new ATOM 0 HA LEU A 5 0.775 4.811 2.160 1.00 62.23 H new ATOM 0 HB2 LEU A 5 3.156 4.856 1.488 1.00 31.52 H new ATOM 0 HB3 LEU A 5 2.923 3.382 0.569 1.00 31.52 H new ATOM 0 HG LEU A 5 1.252 4.573 -0.881 1.00 13.04 H new ATOM 0 HD11 LEU A 5 1.113 7.046 -0.817 1.00 14.45 H new ATOM 0 HD12 LEU A 5 0.497 6.301 0.677 1.00 14.45 H new ATOM 0 HD13 LEU A 5 2.108 7.056 0.658 1.00 14.45 H new ATOM 0 HD21 LEU A 5 2.888 5.926 -2.151 1.00 44.43 H new ATOM 0 HD22 LEU A 5 4.006 5.857 -0.767 1.00 44.43 H new ATOM 0 HD23 LEU A 5 3.567 4.365 -1.631 1.00 44.43 H new ATOM 84 N LEU A 6 -1.008 3.318 1.186 1.00 23.32 N ATOM 85 CA LEU A 6 -2.097 2.518 0.625 1.00 70.14 C ATOM 86 C LEU A 6 -2.349 2.973 -0.827 1.00 32.13 C ATOM 87 O LEU A 6 -3.031 3.977 -1.067 1.00 42.00 O ATOM 88 CB LEU A 6 -3.354 2.692 1.521 1.00 61.33 C ATOM 89 CG LEU A 6 -4.617 1.855 1.143 1.00 60.45 C ATOM 90 CD1 LEU A 6 -4.320 0.338 1.159 1.00 53.15 C ATOM 91 CD2 LEU A 6 -5.799 2.216 2.070 1.00 15.21 C ATOM 0 H LEU A 6 -1.328 4.174 1.639 1.00 23.32 H new ATOM 0 HA LEU A 6 -1.843 1.458 0.604 1.00 70.14 H new ATOM 0 HB2 LEU A 6 -3.077 2.443 2.545 1.00 61.33 H new ATOM 0 HB3 LEU A 6 -3.632 3.746 1.514 1.00 61.33 H new ATOM 0 HG LEU A 6 -4.900 2.109 0.121 1.00 60.45 H new ATOM 0 HD11 LEU A 6 -5.222 -0.212 0.891 1.00 53.15 H new ATOM 0 HD12 LEU A 6 -3.531 0.114 0.441 1.00 53.15 H new ATOM 0 HD13 LEU A 6 -3.997 0.041 2.157 1.00 53.15 H new ATOM 0 HD21 LEU A 6 -6.672 1.624 1.794 1.00 15.21 H new ATOM 0 HD22 LEU A 6 -5.529 2.003 3.104 1.00 15.21 H new ATOM 0 HD23 LEU A 6 -6.032 3.276 1.967 1.00 15.21 H new ATOM 103 N VAL A 7 -1.755 2.237 -1.779 1.00 35.15 N ATOM 104 CA VAL A 7 -1.792 2.571 -3.212 1.00 73.32 C ATOM 105 C VAL A 7 -3.033 1.925 -3.859 1.00 53.21 C ATOM 106 O VAL A 7 -3.080 0.708 -4.076 1.00 50.43 O ATOM 107 CB VAL A 7 -0.480 2.072 -3.936 1.00 71.13 C ATOM 108 CG1 VAL A 7 -0.502 2.390 -5.457 1.00 70.53 C ATOM 109 CG2 VAL A 7 0.788 2.656 -3.257 1.00 50.33 C ATOM 0 H VAL A 7 -1.231 1.386 -1.575 1.00 35.15 H new ATOM 0 HA VAL A 7 -1.849 3.654 -3.319 1.00 73.32 H new ATOM 0 HB VAL A 7 -0.446 0.987 -3.836 1.00 71.13 H new ATOM 0 HG11 VAL A 7 0.418 2.030 -5.917 1.00 70.53 H new ATOM 0 HG12 VAL A 7 -1.356 1.896 -5.920 1.00 70.53 H new ATOM 0 HG13 VAL A 7 -0.583 3.467 -5.602 1.00 70.53 H new ATOM 0 HG21 VAL A 7 1.677 2.296 -3.775 1.00 50.33 H new ATOM 0 HG22 VAL A 7 0.757 3.745 -3.303 1.00 50.33 H new ATOM 0 HG23 VAL A 7 0.822 2.338 -2.215 1.00 50.33 H new ATOM 119 N ILE A 8 -4.036 2.771 -4.136 1.00 0.25 N ATOM 120 CA ILE A 8 -5.313 2.374 -4.753 1.00 12.34 C ATOM 121 C ILE A 8 -5.362 2.902 -6.199 1.00 4.21 C ATOM 122 O ILE A 8 -4.933 4.034 -6.472 1.00 24.35 O ATOM 123 CB ILE A 8 -6.540 2.953 -3.943 1.00 14.43 C ATOM 124 CG1 ILE A 8 -6.446 2.558 -2.436 1.00 11.53 C ATOM 125 CG2 ILE A 8 -7.901 2.511 -4.556 1.00 50.34 C ATOM 126 CD1 ILE A 8 -7.524 3.167 -1.557 1.00 65.53 C ATOM 0 H ILE A 8 -3.983 3.769 -3.934 1.00 0.25 H new ATOM 0 HA ILE A 8 -5.378 1.286 -4.745 1.00 12.34 H new ATOM 0 HB ILE A 8 -6.495 4.040 -4.014 1.00 14.43 H new ATOM 0 HG12 ILE A 8 -6.499 1.472 -2.354 1.00 11.53 H new ATOM 0 HG13 ILE A 8 -5.471 2.860 -2.055 1.00 11.53 H new ATOM 0 HG21 ILE A 8 -8.718 2.931 -3.969 1.00 50.34 H new ATOM 0 HG22 ILE A 8 -7.971 2.869 -5.583 1.00 50.34 H new ATOM 0 HG23 ILE A 8 -7.968 1.423 -4.546 1.00 50.34 H new ATOM 0 HD11 ILE A 8 -7.382 2.839 -0.527 1.00 65.53 H new ATOM 0 HD12 ILE A 8 -7.461 4.254 -1.604 1.00 65.53 H new ATOM 0 HD13 ILE A 8 -8.504 2.845 -1.908 1.00 65.53 H new ATOM 138 N SER A 9 -5.883 2.068 -7.101 1.00 0.22 N ATOM 139 CA SER A 9 -6.122 2.416 -8.506 1.00 53.33 C ATOM 140 C SER A 9 -7.188 1.466 -9.065 1.00 22.33 C ATOM 141 O SER A 9 -7.319 0.325 -8.586 1.00 30.32 O ATOM 142 CB SER A 9 -4.813 2.303 -9.317 1.00 31.53 C ATOM 143 OG SER A 9 -4.986 2.640 -10.674 1.00 50.14 O ATOM 0 H SER A 9 -6.157 1.112 -6.872 1.00 0.22 H new ATOM 0 HA SER A 9 -6.471 3.446 -8.581 1.00 53.33 H new ATOM 0 HB2 SER A 9 -4.060 2.957 -8.877 1.00 31.53 H new ATOM 0 HB3 SER A 9 -4.432 1.284 -9.245 1.00 31.53 H new ATOM 0 HG SER A 9 -4.130 2.555 -11.144 1.00 50.14 H new ATOM 149 N THR A 10 -7.950 1.944 -10.063 1.00 51.21 N ATOM 150 CA THR A 10 -9.012 1.155 -10.708 1.00 74.14 C ATOM 151 C THR A 10 -8.412 -0.013 -11.510 1.00 4.23 C ATOM 152 O THR A 10 -8.885 -1.155 -11.428 1.00 2.25 O ATOM 153 CB THR A 10 -9.882 2.063 -11.637 1.00 32.51 C ATOM 154 OG1 THR A 10 -10.373 3.186 -10.884 1.00 42.33 O ATOM 155 CG2 THR A 10 -11.075 1.306 -12.260 1.00 15.22 C ATOM 0 H THR A 10 -7.848 2.885 -10.444 1.00 51.21 H new ATOM 0 HA THR A 10 -9.652 0.743 -9.928 1.00 74.14 H new ATOM 0 HB THR A 10 -9.243 2.396 -12.455 1.00 32.51 H new ATOM 0 HG1 THR A 10 -10.917 3.757 -11.466 1.00 42.33 H new ATOM 0 HG21 THR A 10 -11.645 1.984 -12.895 1.00 15.22 H new ATOM 0 HG22 THR A 10 -10.705 0.473 -12.858 1.00 15.22 H new ATOM 0 HG23 THR A 10 -11.719 0.925 -11.467 1.00 15.22 H new ATOM 163 N ASP A 11 -7.353 0.285 -12.277 1.00 71.34 N ATOM 164 CA ASP A 11 -6.661 -0.712 -13.101 1.00 14.41 C ATOM 165 C ASP A 11 -5.562 -1.389 -12.286 1.00 73.11 C ATOM 166 O ASP A 11 -4.520 -0.774 -11.995 1.00 10.24 O ATOM 167 CB ASP A 11 -6.060 -0.058 -14.368 1.00 42.44 C ATOM 168 CG ASP A 11 -7.112 0.696 -15.182 1.00 42.11 C ATOM 169 OD1 ASP A 11 -7.824 0.062 -15.987 1.00 63.41 O ATOM 170 OD2 ASP A 11 -7.250 1.924 -15.004 1.00 43.03 O ATOM 0 H ASP A 11 -6.954 1.222 -12.342 1.00 71.34 H new ATOM 0 HA ASP A 11 -7.386 -1.462 -13.416 1.00 14.41 H new ATOM 0 HB2 ASP A 11 -5.266 0.630 -14.078 1.00 42.44 H new ATOM 0 HB3 ASP A 11 -5.604 -0.828 -14.991 1.00 42.44 H new ATOM 175 N THR A 12 -5.813 -2.655 -11.918 1.00 74.31 N ATOM 176 CA THR A 12 -4.814 -3.536 -11.293 1.00 63.14 C ATOM 177 C THR A 12 -3.593 -3.727 -12.231 1.00 11.14 C ATOM 178 O THR A 12 -2.494 -4.022 -11.768 1.00 63.32 O ATOM 179 CB THR A 12 -5.455 -4.921 -10.939 1.00 64.05 C ATOM 180 OG1 THR A 12 -6.606 -4.710 -10.106 1.00 62.42 O ATOM 181 CG2 THR A 12 -4.479 -5.867 -10.212 1.00 50.34 C ATOM 0 H THR A 12 -6.722 -3.100 -12.047 1.00 74.31 H new ATOM 0 HA THR A 12 -4.469 -3.068 -10.371 1.00 63.14 H new ATOM 0 HB THR A 12 -5.730 -5.397 -11.880 1.00 64.05 H new ATOM 0 HG1 THR A 12 -7.185 -5.500 -10.142 1.00 62.42 H new ATOM 0 HG21 THR A 12 -4.981 -6.810 -9.994 1.00 50.34 H new ATOM 0 HG22 THR A 12 -3.614 -6.055 -10.847 1.00 50.34 H new ATOM 0 HG23 THR A 12 -4.151 -5.406 -9.280 1.00 50.34 H new ATOM 189 N ASN A 13 -3.821 -3.544 -13.556 1.00 52.22 N ATOM 190 CA ASN A 13 -2.759 -3.546 -14.583 1.00 72.22 C ATOM 191 C ASN A 13 -1.703 -2.460 -14.299 1.00 45.52 C ATOM 192 O ASN A 13 -0.494 -2.695 -14.468 1.00 71.12 O ATOM 193 CB ASN A 13 -3.365 -3.329 -15.999 1.00 55.51 C ATOM 194 CG ASN A 13 -4.362 -4.415 -16.431 1.00 23.14 C ATOM 195 OD1 ASN A 13 -4.322 -5.550 -15.954 1.00 43.01 O ATOM 196 ND2 ASN A 13 -5.241 -4.083 -17.364 1.00 72.42 N ATOM 0 H ASN A 13 -4.754 -3.390 -13.940 1.00 52.22 H new ATOM 0 HA ASN A 13 -2.271 -4.520 -14.547 1.00 72.22 H new ATOM 0 HB2 ASN A 13 -3.866 -2.361 -16.023 1.00 55.51 H new ATOM 0 HB3 ASN A 13 -2.554 -3.286 -16.726 1.00 55.51 H new ATOM 0 HD21 ASN A 13 -5.908 -4.775 -17.706 1.00 72.42 H new ATOM 0 HD22 ASN A 13 -5.251 -3.135 -17.741 1.00 72.42 H new ATOM 203 N ILE A 14 -2.173 -1.273 -13.857 1.00 32.10 N ATOM 204 CA ILE A 14 -1.295 -0.142 -13.521 1.00 54.31 C ATOM 205 C ILE A 14 -0.551 -0.445 -12.208 1.00 63.11 C ATOM 206 O ILE A 14 0.663 -0.258 -12.124 1.00 75.33 O ATOM 207 CB ILE A 14 -2.104 1.211 -13.421 1.00 21.52 C ATOM 208 CG1 ILE A 14 -2.773 1.563 -14.797 1.00 11.12 C ATOM 209 CG2 ILE A 14 -1.215 2.377 -12.924 1.00 34.20 C ATOM 210 CD1 ILE A 14 -1.808 1.724 -15.967 1.00 21.12 C ATOM 0 H ILE A 14 -3.165 -1.077 -13.725 1.00 32.10 H new ATOM 0 HA ILE A 14 -0.566 -0.015 -14.322 1.00 54.31 H new ATOM 0 HB ILE A 14 -2.892 1.067 -12.682 1.00 21.52 H new ATOM 0 HG12 ILE A 14 -3.491 0.781 -15.044 1.00 11.12 H new ATOM 0 HG13 ILE A 14 -3.337 2.489 -14.682 1.00 11.12 H new ATOM 0 HG21 ILE A 14 -1.809 3.289 -12.869 1.00 34.20 H new ATOM 0 HG22 ILE A 14 -0.823 2.139 -11.935 1.00 34.20 H new ATOM 0 HG23 ILE A 14 -0.387 2.524 -13.617 1.00 34.20 H new ATOM 0 HD11 ILE A 14 -2.368 1.966 -16.870 1.00 21.12 H new ATOM 0 HD12 ILE A 14 -1.104 2.528 -15.750 1.00 21.12 H new ATOM 0 HD13 ILE A 14 -1.261 0.794 -16.118 1.00 21.12 H new ATOM 222 N ILE A 15 -1.295 -0.977 -11.216 1.00 13.42 N ATOM 223 CA ILE A 15 -0.747 -1.347 -9.888 1.00 54.21 C ATOM 224 C ILE A 15 0.323 -2.450 -10.022 1.00 12.31 C ATOM 225 O ILE A 15 1.284 -2.471 -9.260 1.00 24.11 O ATOM 226 CB ILE A 15 -1.899 -1.810 -8.912 1.00 21.21 C ATOM 227 CG1 ILE A 15 -2.925 -0.654 -8.731 1.00 70.22 C ATOM 228 CG2 ILE A 15 -1.356 -2.298 -7.541 1.00 33.24 C ATOM 229 CD1 ILE A 15 -4.063 -0.935 -7.768 1.00 50.22 C ATOM 0 H ILE A 15 -2.293 -1.163 -11.310 1.00 13.42 H new ATOM 0 HA ILE A 15 -0.274 -0.462 -9.463 1.00 54.21 H new ATOM 0 HB ILE A 15 -2.398 -2.667 -9.364 1.00 21.21 H new ATOM 0 HG12 ILE A 15 -2.391 0.232 -8.386 1.00 70.22 H new ATOM 0 HG13 ILE A 15 -3.349 -0.412 -9.706 1.00 70.22 H new ATOM 0 HG21 ILE A 15 -2.189 -2.605 -6.908 1.00 33.24 H new ATOM 0 HG22 ILE A 15 -0.687 -3.144 -7.695 1.00 33.24 H new ATOM 0 HG23 ILE A 15 -0.811 -1.488 -7.056 1.00 33.24 H new ATOM 0 HD11 ILE A 15 -4.719 -0.066 -7.716 1.00 50.22 H new ATOM 0 HD12 ILE A 15 -4.631 -1.797 -8.117 1.00 50.22 H new ATOM 0 HD13 ILE A 15 -3.658 -1.144 -6.778 1.00 50.22 H new ATOM 241 N SER A 16 0.141 -3.331 -11.025 1.00 1.52 N ATOM 242 CA SER A 16 1.066 -4.432 -11.334 1.00 1.22 C ATOM 243 C SER A 16 2.400 -3.878 -11.870 1.00 1.23 C ATOM 244 O SER A 16 3.477 -4.321 -11.456 1.00 42.42 O ATOM 245 CB SER A 16 0.415 -5.388 -12.365 1.00 61.40 C ATOM 246 OG SER A 16 1.275 -6.459 -12.723 1.00 14.44 O ATOM 0 H SER A 16 -0.664 -3.295 -11.650 1.00 1.52 H new ATOM 0 HA SER A 16 1.274 -4.990 -10.421 1.00 1.22 H new ATOM 0 HB2 SER A 16 -0.510 -5.790 -11.951 1.00 61.40 H new ATOM 0 HB3 SER A 16 0.146 -4.826 -13.259 1.00 61.40 H new ATOM 0 HG SER A 16 0.824 -7.037 -13.373 1.00 14.44 H new ATOM 252 N SER A 17 2.298 -2.896 -12.785 1.00 0.43 N ATOM 253 CA SER A 17 3.462 -2.215 -13.386 1.00 14.04 C ATOM 254 C SER A 17 4.294 -1.475 -12.311 1.00 14.14 C ATOM 255 O SER A 17 5.528 -1.597 -12.261 1.00 41.12 O ATOM 256 CB SER A 17 2.974 -1.231 -14.478 1.00 22.14 C ATOM 257 OG SER A 17 4.061 -0.578 -15.109 1.00 10.32 O ATOM 0 H SER A 17 1.402 -2.551 -13.130 1.00 0.43 H new ATOM 0 HA SER A 17 4.111 -2.963 -13.841 1.00 14.04 H new ATOM 0 HB2 SER A 17 2.391 -1.772 -15.223 1.00 22.14 H new ATOM 0 HB3 SER A 17 2.312 -0.489 -14.032 1.00 22.14 H new ATOM 0 HG SER A 17 3.721 0.035 -15.794 1.00 10.32 H new ATOM 263 N VAL A 18 3.586 -0.744 -11.438 1.00 22.22 N ATOM 264 CA VAL A 18 4.192 0.064 -10.361 1.00 4.11 C ATOM 265 C VAL A 18 4.800 -0.844 -9.279 1.00 13.35 C ATOM 266 O VAL A 18 5.841 -0.527 -8.694 1.00 63.41 O ATOM 267 CB VAL A 18 3.130 1.016 -9.719 1.00 44.41 C ATOM 268 CG1 VAL A 18 3.747 1.869 -8.589 1.00 34.23 C ATOM 269 CG2 VAL A 18 2.483 1.909 -10.799 1.00 64.41 C ATOM 0 H VAL A 18 2.567 -0.694 -11.457 1.00 22.22 H new ATOM 0 HA VAL A 18 4.985 0.669 -10.801 1.00 4.11 H new ATOM 0 HB VAL A 18 2.351 0.399 -9.272 1.00 44.41 H new ATOM 0 HG11 VAL A 18 2.982 2.519 -8.165 1.00 34.23 H new ATOM 0 HG12 VAL A 18 4.139 1.214 -7.811 1.00 34.23 H new ATOM 0 HG13 VAL A 18 4.557 2.477 -8.993 1.00 34.23 H new ATOM 0 HG21 VAL A 18 1.747 2.565 -10.335 1.00 64.41 H new ATOM 0 HG22 VAL A 18 3.252 2.511 -11.282 1.00 64.41 H new ATOM 0 HG23 VAL A 18 1.992 1.282 -11.544 1.00 64.41 H new ATOM 279 N GLN A 19 4.115 -1.971 -9.032 1.00 1.52 N ATOM 280 CA GLN A 19 4.572 -3.031 -8.121 1.00 43.30 C ATOM 281 C GLN A 19 5.959 -3.524 -8.562 1.00 12.31 C ATOM 282 O GLN A 19 6.876 -3.607 -7.746 1.00 34.11 O ATOM 283 CB GLN A 19 3.548 -4.189 -8.150 1.00 1.22 C ATOM 284 CG GLN A 19 3.905 -5.439 -7.332 1.00 4.44 C ATOM 285 CD GLN A 19 2.915 -6.594 -7.521 1.00 51.55 C ATOM 286 OE1 GLN A 19 1.630 -6.288 -7.718 1.00 52.51 O flip ATOM 287 NE2 GLN A 19 3.294 -7.763 -7.463 1.00 10.33 N flip ATOM 0 H GLN A 19 3.215 -2.174 -9.466 1.00 1.52 H new ATOM 0 HA GLN A 19 4.649 -2.647 -7.104 1.00 43.30 H new ATOM 0 HB2 GLN A 19 2.592 -3.808 -7.791 1.00 1.22 H new ATOM 0 HB3 GLN A 19 3.402 -4.490 -9.187 1.00 1.22 H new ATOM 0 HG2 GLN A 19 4.903 -5.776 -7.614 1.00 4.44 H new ATOM 0 HG3 GLN A 19 3.945 -5.174 -6.276 1.00 4.44 H new ATOM 0 HE21 GLN A 19 4.281 -7.972 -7.312 1.00 10.33 H new ATOM 0 HE22 GLN A 19 2.621 -8.523 -7.566 1.00 10.33 H new ATOM 296 N GLU A 20 6.088 -3.804 -9.879 1.00 43.25 N ATOM 297 CA GLU A 20 7.352 -4.238 -10.509 1.00 40.24 C ATOM 298 C GLU A 20 8.463 -3.202 -10.305 1.00 60.34 C ATOM 299 O GLU A 20 9.588 -3.574 -9.975 1.00 54.40 O ATOM 300 CB GLU A 20 7.152 -4.472 -12.023 1.00 32.24 C ATOM 301 CG GLU A 20 6.286 -5.686 -12.371 1.00 10.14 C ATOM 302 CD GLU A 20 6.039 -5.789 -13.876 1.00 3.32 C ATOM 303 OE1 GLU A 20 6.937 -6.263 -14.607 1.00 24.12 O ATOM 304 OE2 GLU A 20 4.961 -5.373 -14.340 1.00 71.52 O ATOM 0 H GLU A 20 5.312 -3.734 -10.537 1.00 43.25 H new ATOM 0 HA GLU A 20 7.649 -5.171 -10.030 1.00 40.24 H new ATOM 0 HB2 GLU A 20 6.698 -3.582 -12.458 1.00 32.24 H new ATOM 0 HB3 GLU A 20 8.129 -4.593 -12.491 1.00 32.24 H new ATOM 0 HG2 GLU A 20 6.774 -6.595 -12.019 1.00 10.14 H new ATOM 0 HG3 GLU A 20 5.332 -5.614 -11.849 1.00 10.14 H new ATOM 311 N ARG A 21 8.122 -1.916 -10.510 1.00 61.14 N ATOM 312 CA ARG A 21 9.084 -0.797 -10.407 1.00 42.45 C ATOM 313 C ARG A 21 9.625 -0.660 -8.971 1.00 51.33 C ATOM 314 O ARG A 21 10.836 -0.619 -8.760 1.00 33.25 O ATOM 315 CB ARG A 21 8.415 0.527 -10.860 1.00 71.13 C ATOM 316 CG ARG A 21 7.953 0.523 -12.331 1.00 55.44 C ATOM 317 CD ARG A 21 7.218 1.810 -12.734 1.00 12.54 C ATOM 318 NE ARG A 21 6.743 1.755 -14.123 1.00 32.25 N ATOM 319 CZ ARG A 21 6.434 2.817 -14.880 1.00 55.41 C ATOM 320 NH1 ARG A 21 6.531 4.054 -14.403 1.00 32.05 N ATOM 321 NH2 ARG A 21 6.043 2.632 -16.125 1.00 72.35 N ATOM 0 H ARG A 21 7.176 -1.622 -10.751 1.00 61.14 H new ATOM 0 HA ARG A 21 9.926 -1.012 -11.065 1.00 42.45 H new ATOM 0 HB2 ARG A 21 7.555 0.726 -10.220 1.00 71.13 H new ATOM 0 HB3 ARG A 21 9.118 1.347 -10.713 1.00 71.13 H new ATOM 0 HG2 ARG A 21 8.820 0.389 -12.978 1.00 55.44 H new ATOM 0 HG3 ARG A 21 7.296 -0.331 -12.497 1.00 55.44 H new ATOM 0 HD2 ARG A 21 6.371 1.969 -12.066 1.00 12.54 H new ATOM 0 HD3 ARG A 21 7.885 2.663 -12.612 1.00 12.54 H new ATOM 0 HE ARG A 21 6.640 0.833 -14.546 1.00 32.25 H new ATOM 0 HH11 ARG A 21 6.845 4.208 -13.445 1.00 32.05 H new ATOM 0 HH12 ARG A 21 6.291 4.849 -14.995 1.00 32.05 H new ATOM 0 HH21 ARG A 21 5.978 1.687 -16.504 1.00 72.35 H new ATOM 0 HH22 ARG A 21 5.806 3.434 -16.709 1.00 72.35 H new ATOM 335 N ALA A 22 8.703 -0.643 -8.001 1.00 52.11 N ATOM 336 CA ALA A 22 9.012 -0.436 -6.573 1.00 42.33 C ATOM 337 C ALA A 22 9.808 -1.624 -5.982 1.00 73.45 C ATOM 338 O ALA A 22 10.623 -1.441 -5.077 1.00 62.24 O ATOM 339 CB ALA A 22 7.707 -0.191 -5.798 1.00 42.42 C ATOM 0 H ALA A 22 7.708 -0.774 -8.183 1.00 52.11 H new ATOM 0 HA ALA A 22 9.650 0.443 -6.477 1.00 42.33 H new ATOM 0 HB1 ALA A 22 7.934 -0.038 -4.743 1.00 42.42 H new ATOM 0 HB2 ALA A 22 7.209 0.694 -6.194 1.00 42.42 H new ATOM 0 HB3 ALA A 22 7.052 -1.055 -5.907 1.00 42.42 H new ATOM 345 N LYS A 23 9.537 -2.838 -6.498 1.00 33.14 N ATOM 346 CA LYS A 23 10.282 -4.069 -6.136 1.00 1.42 C ATOM 347 C LYS A 23 11.671 -4.104 -6.804 1.00 34.41 C ATOM 348 O LYS A 23 12.635 -4.592 -6.212 1.00 24.43 O ATOM 349 CB LYS A 23 9.456 -5.324 -6.534 1.00 24.43 C ATOM 350 CG LYS A 23 8.212 -5.565 -5.645 1.00 44.23 C ATOM 351 CD LYS A 23 7.237 -6.622 -6.215 1.00 71.32 C ATOM 352 CE LYS A 23 7.899 -7.979 -6.495 1.00 63.53 C ATOM 353 NZ LYS A 23 8.552 -8.540 -5.291 1.00 63.51 N ATOM 0 H LYS A 23 8.795 -2.998 -7.179 1.00 33.14 H new ATOM 0 HA LYS A 23 10.435 -4.068 -5.057 1.00 1.42 H new ATOM 0 HB2 LYS A 23 9.135 -5.222 -7.571 1.00 24.43 H new ATOM 0 HB3 LYS A 23 10.101 -6.202 -6.485 1.00 24.43 H new ATOM 0 HG2 LYS A 23 8.540 -5.882 -4.655 1.00 44.23 H new ATOM 0 HG3 LYS A 23 7.679 -4.623 -5.518 1.00 44.23 H new ATOM 0 HD2 LYS A 23 6.417 -6.765 -5.511 1.00 71.32 H new ATOM 0 HD3 LYS A 23 6.801 -6.242 -7.139 1.00 71.32 H new ATOM 0 HE2 LYS A 23 7.148 -8.680 -6.859 1.00 63.53 H new ATOM 0 HE3 LYS A 23 8.638 -7.864 -7.288 1.00 63.53 H new ATOM 0 HZ1 LYS A 23 8.941 -9.478 -5.513 1.00 63.51 H new ATOM 0 HZ2 LYS A 23 9.321 -7.909 -4.987 1.00 63.51 H new ATOM 0 HZ3 LYS A 23 7.853 -8.627 -4.526 1.00 63.51 H new ATOM 367 N HIS A 24 11.751 -3.615 -8.051 1.00 13.14 N ATOM 368 CA HIS A 24 13.016 -3.518 -8.811 1.00 11.35 C ATOM 369 C HIS A 24 13.970 -2.485 -8.180 1.00 31.14 C ATOM 370 O HIS A 24 15.192 -2.613 -8.280 1.00 22.35 O ATOM 371 CB HIS A 24 12.693 -3.146 -10.284 1.00 53.44 C ATOM 372 CG HIS A 24 13.885 -2.994 -11.200 1.00 63.21 C ATOM 373 ND1 HIS A 24 14.535 -4.062 -11.775 1.00 32.04 N ATOM 374 CD2 HIS A 24 14.524 -1.885 -11.656 1.00 13.05 C ATOM 375 CE1 HIS A 24 15.508 -3.622 -12.545 1.00 72.43 C ATOM 376 NE2 HIS A 24 15.522 -2.308 -12.488 1.00 43.10 N ATOM 0 H HIS A 24 10.940 -3.273 -8.566 1.00 13.14 H new ATOM 0 HA HIS A 24 13.524 -4.482 -8.782 1.00 11.35 H new ATOM 0 HB2 HIS A 24 12.037 -3.912 -10.697 1.00 53.44 H new ATOM 0 HB3 HIS A 24 12.133 -2.211 -10.288 1.00 53.44 H new ATOM 0 HD2 HIS A 24 14.287 -0.861 -11.407 1.00 13.05 H new ATOM 0 HE1 HIS A 24 16.181 -4.236 -13.125 1.00 72.43 H new ATOM 0 HE2 HIS A 24 16.174 -1.701 -12.986 1.00 43.10 H new ATOM 385 N ASN A 25 13.387 -1.452 -7.550 1.00 31.33 N ATOM 386 CA ASN A 25 14.140 -0.361 -6.912 1.00 32.54 C ATOM 387 C ASN A 25 14.514 -0.743 -5.468 1.00 1.34 C ATOM 388 O ASN A 25 15.698 -0.860 -5.133 1.00 73.42 O ATOM 389 CB ASN A 25 13.307 0.958 -6.945 1.00 14.02 C ATOM 390 CG ASN A 25 13.155 1.593 -8.343 1.00 40.04 C ATOM 391 OD1 ASN A 25 13.164 0.800 -9.414 1.00 52.22 O flip ATOM 392 ND2 ASN A 25 13.017 2.805 -8.456 1.00 4.44 N flip ATOM 0 H ASN A 25 12.375 -1.350 -7.469 1.00 31.33 H new ATOM 0 HA ASN A 25 15.063 -0.195 -7.467 1.00 32.54 H new ATOM 0 HB2 ASN A 25 12.314 0.754 -6.544 1.00 14.02 H new ATOM 0 HB3 ASN A 25 13.776 1.684 -6.281 1.00 14.02 H new ATOM 0 HD21 ASN A 25 13.012 3.397 -7.626 1.00 4.44 H new ATOM 0 HD22 ASN A 25 12.907 3.222 -9.380 1.00 4.44 H new ATOM 399 N TYR A 26 13.487 -0.957 -4.631 1.00 62.24 N ATOM 400 CA TYR A 26 13.637 -1.227 -3.181 1.00 44.24 C ATOM 401 C TYR A 26 13.656 -2.746 -2.904 1.00 12.44 C ATOM 402 O TYR A 26 13.086 -3.512 -3.682 1.00 52.53 O ATOM 403 CB TYR A 26 12.481 -0.536 -2.411 1.00 65.51 C ATOM 404 CG TYR A 26 12.432 0.976 -2.641 1.00 24.22 C ATOM 405 CD1 TYR A 26 13.332 1.820 -1.991 1.00 24.21 C ATOM 406 CD2 TYR A 26 11.531 1.549 -3.549 1.00 25.44 C ATOM 407 CE1 TYR A 26 13.340 3.173 -2.233 1.00 42.00 C ATOM 408 CE2 TYR A 26 11.527 2.905 -3.782 1.00 31.40 C ATOM 409 CZ TYR A 26 12.440 3.709 -3.128 1.00 22.34 C ATOM 410 OH TYR A 26 12.476 5.053 -3.388 1.00 35.31 O ATOM 0 H TYR A 26 12.515 -0.949 -4.940 1.00 62.24 H new ATOM 0 HA TYR A 26 14.588 -0.821 -2.836 1.00 44.24 H new ATOM 0 HB2 TYR A 26 11.532 -0.976 -2.719 1.00 65.51 H new ATOM 0 HB3 TYR A 26 12.593 -0.733 -1.345 1.00 65.51 H new ATOM 0 HD1 TYR A 26 14.035 1.403 -1.285 1.00 24.21 H new ATOM 0 HD2 TYR A 26 10.830 0.917 -4.073 1.00 25.44 H new ATOM 0 HE1 TYR A 26 14.047 3.812 -1.725 1.00 42.00 H new ATOM 0 HE2 TYR A 26 10.816 3.337 -4.471 1.00 31.40 H new ATOM 0 HH TYR A 26 12.490 5.198 -4.357 1.00 35.31 H new ATOM 420 N PRO A 27 14.283 -3.208 -1.757 1.00 24.34 N ATOM 421 CA PRO A 27 14.483 -4.663 -1.467 1.00 74.40 C ATOM 422 C PRO A 27 13.188 -5.443 -1.111 1.00 72.02 C ATOM 423 O PRO A 27 13.271 -6.578 -0.634 1.00 72.32 O ATOM 424 CB PRO A 27 15.476 -4.643 -0.272 1.00 64.24 C ATOM 425 CG PRO A 27 15.193 -3.348 0.431 1.00 40.53 C ATOM 426 CD PRO A 27 14.872 -2.356 -0.670 1.00 0.13 C ATOM 0 HA PRO A 27 14.843 -5.192 -2.349 1.00 74.40 H new ATOM 0 HB2 PRO A 27 15.319 -5.496 0.389 1.00 64.24 H new ATOM 0 HB3 PRO A 27 16.510 -4.691 -0.614 1.00 64.24 H new ATOM 0 HG2 PRO A 27 14.357 -3.451 1.123 1.00 40.53 H new ATOM 0 HG3 PRO A 27 16.053 -3.022 1.016 1.00 40.53 H new ATOM 0 HD2 PRO A 27 14.168 -1.596 -0.331 1.00 0.13 H new ATOM 0 HD3 PRO A 27 15.766 -1.833 -1.011 1.00 0.13 H new ATOM 434 N GLY A 28 12.003 -4.827 -1.338 1.00 52.32 N ATOM 435 CA GLY A 28 10.714 -5.512 -1.177 1.00 72.34 C ATOM 436 C GLY A 28 10.306 -5.748 0.270 1.00 51.14 C ATOM 437 O GLY A 28 9.301 -6.414 0.528 1.00 43.25 O ATOM 0 H GLY A 28 11.922 -3.854 -1.634 1.00 52.32 H new ATOM 0 HA2 GLY A 28 9.939 -4.924 -1.669 1.00 72.34 H new ATOM 0 HA3 GLY A 28 10.760 -6.472 -1.691 1.00 72.34 H new ATOM 441 N ARG A 29 11.101 -5.209 1.215 1.00 23.43 N ATOM 442 CA ARG A 29 10.791 -5.259 2.653 1.00 31.21 C ATOM 443 C ARG A 29 9.783 -4.159 3.014 1.00 61.21 C ATOM 444 O ARG A 29 9.043 -4.273 3.990 1.00 60.25 O ATOM 445 CB ARG A 29 12.089 -5.105 3.484 1.00 24.05 C ATOM 446 CG ARG A 29 13.169 -6.173 3.191 1.00 72.25 C ATOM 447 CD ARG A 29 14.255 -6.212 4.278 1.00 72.33 C ATOM 448 NE ARG A 29 13.654 -6.433 5.611 1.00 13.34 N ATOM 449 CZ ARG A 29 13.453 -7.629 6.187 1.00 11.14 C ATOM 450 NH1 ARG A 29 13.810 -8.754 5.571 1.00 64.10 N ATOM 451 NH2 ARG A 29 12.860 -7.695 7.369 1.00 12.22 N ATOM 0 H ARG A 29 11.975 -4.728 1.001 1.00 23.43 H new ATOM 0 HA ARG A 29 10.345 -6.226 2.887 1.00 31.21 H new ATOM 0 HB2 ARG A 29 12.511 -4.118 3.295 1.00 24.05 H new ATOM 0 HB3 ARG A 29 11.834 -5.145 4.543 1.00 24.05 H new ATOM 0 HG2 ARG A 29 12.698 -7.153 3.115 1.00 72.25 H new ATOM 0 HG3 ARG A 29 13.631 -5.966 2.226 1.00 72.25 H new ATOM 0 HD2 ARG A 29 14.967 -7.007 4.059 1.00 72.33 H new ATOM 0 HD3 ARG A 29 14.812 -5.275 4.276 1.00 72.33 H new ATOM 0 HE ARG A 29 13.368 -5.607 6.137 1.00 13.34 H new ATOM 0 HH11 ARG A 29 14.243 -8.715 4.648 1.00 64.10 H new ATOM 0 HH12 ARG A 29 13.651 -9.655 6.022 1.00 64.10 H new ATOM 0 HH21 ARG A 29 12.559 -6.840 7.837 1.00 12.22 H new ATOM 0 HH22 ARG A 29 12.704 -8.601 7.812 1.00 12.22 H new ATOM 465 N TYR A 30 9.789 -3.085 2.206 1.00 42.31 N ATOM 466 CA TYR A 30 8.882 -1.938 2.350 1.00 62.33 C ATOM 467 C TYR A 30 7.678 -2.077 1.410 1.00 34.45 C ATOM 468 O TYR A 30 6.663 -1.417 1.605 1.00 74.42 O ATOM 469 CB TYR A 30 9.648 -0.622 2.070 1.00 52.33 C ATOM 470 CG TYR A 30 10.781 -0.376 3.075 1.00 24.22 C ATOM 471 CD1 TYR A 30 10.536 0.292 4.276 1.00 5.34 C ATOM 472 CD2 TYR A 30 12.081 -0.850 2.841 1.00 65.24 C ATOM 473 CE1 TYR A 30 11.535 0.476 5.207 1.00 52.03 C ATOM 474 CE2 TYR A 30 13.084 -0.660 3.768 1.00 14.00 C ATOM 475 CZ TYR A 30 12.810 0.001 4.949 1.00 65.44 C ATOM 476 OH TYR A 30 13.810 0.175 5.885 1.00 42.31 O ATOM 0 H TYR A 30 10.435 -2.990 1.423 1.00 42.31 H new ATOM 0 HA TYR A 30 8.507 -1.914 3.373 1.00 62.33 H new ATOM 0 HB2 TYR A 30 10.061 -0.654 1.062 1.00 52.33 H new ATOM 0 HB3 TYR A 30 8.950 0.215 2.102 1.00 52.33 H new ATOM 0 HD1 TYR A 30 9.545 0.671 4.479 1.00 5.34 H new ATOM 0 HD2 TYR A 30 12.299 -1.372 1.921 1.00 65.24 H new ATOM 0 HE1 TYR A 30 11.325 0.989 6.134 1.00 52.03 H new ATOM 0 HE2 TYR A 30 14.080 -1.027 3.571 1.00 14.00 H new ATOM 0 HH TYR A 30 14.643 -0.217 5.550 1.00 42.31 H new ATOM 486 N ILE A 31 7.803 -2.954 0.397 1.00 54.51 N ATOM 487 CA ILE A 31 6.753 -3.174 -0.608 1.00 3.33 C ATOM 488 C ILE A 31 6.012 -4.473 -0.275 1.00 71.22 C ATOM 489 O ILE A 31 6.622 -5.536 -0.150 1.00 42.13 O ATOM 490 CB ILE A 31 7.321 -3.229 -2.087 1.00 61.23 C ATOM 491 CG1 ILE A 31 7.828 -1.822 -2.566 1.00 51.33 C ATOM 492 CG2 ILE A 31 6.267 -3.787 -3.085 1.00 32.20 C ATOM 493 CD1 ILE A 31 9.057 -1.280 -1.863 1.00 23.55 C ATOM 0 H ILE A 31 8.634 -3.528 0.254 1.00 54.51 H new ATOM 0 HA ILE A 31 6.071 -2.325 -0.571 1.00 3.33 H new ATOM 0 HB ILE A 31 8.171 -3.911 -2.071 1.00 61.23 H new ATOM 0 HG12 ILE A 31 8.041 -1.879 -3.633 1.00 51.33 H new ATOM 0 HG13 ILE A 31 7.017 -1.104 -2.441 1.00 51.33 H new ATOM 0 HG21 ILE A 31 6.692 -3.810 -4.088 1.00 32.20 H new ATOM 0 HG22 ILE A 31 5.984 -4.797 -2.788 1.00 32.20 H new ATOM 0 HG23 ILE A 31 5.385 -3.146 -3.079 1.00 32.20 H new ATOM 0 HD11 ILE A 31 9.313 -0.305 -2.277 1.00 23.55 H new ATOM 0 HD12 ILE A 31 8.852 -1.179 -0.797 1.00 23.55 H new ATOM 0 HD13 ILE A 31 9.891 -1.966 -2.008 1.00 23.55 H new ATOM 505 N ARG A 32 4.698 -4.350 -0.115 1.00 34.21 N ATOM 506 CA ARG A 32 3.795 -5.470 0.130 1.00 13.31 C ATOM 507 C ARG A 32 2.535 -5.279 -0.721 1.00 12.24 C ATOM 508 O ARG A 32 2.204 -4.159 -1.096 1.00 20.40 O ATOM 509 CB ARG A 32 3.449 -5.555 1.641 1.00 41.11 C ATOM 510 CG ARG A 32 2.686 -6.830 2.078 1.00 14.41 C ATOM 511 CD ARG A 32 3.472 -8.148 1.816 1.00 71.11 C ATOM 512 NE ARG A 32 3.276 -8.689 0.445 1.00 62.13 N ATOM 513 CZ ARG A 32 4.248 -8.913 -0.461 1.00 33.25 C ATOM 514 NH1 ARG A 32 5.518 -8.633 -0.182 1.00 14.43 N ATOM 515 NH2 ARG A 32 3.932 -9.392 -1.650 1.00 12.34 N ATOM 0 H ARG A 32 4.221 -3.449 -0.153 1.00 34.21 H new ATOM 0 HA ARG A 32 4.273 -6.409 -0.150 1.00 13.31 H new ATOM 0 HB2 ARG A 32 4.375 -5.493 2.212 1.00 41.11 H new ATOM 0 HB3 ARG A 32 2.850 -4.684 1.909 1.00 41.11 H new ATOM 0 HG2 ARG A 32 2.456 -6.759 3.141 1.00 14.41 H new ATOM 0 HG3 ARG A 32 1.734 -6.873 1.548 1.00 14.41 H new ATOM 0 HD2 ARG A 32 4.534 -7.967 1.979 1.00 71.11 H new ATOM 0 HD3 ARG A 32 3.161 -8.898 2.543 1.00 71.11 H new ATOM 0 HE ARG A 32 2.320 -8.910 0.165 1.00 62.13 H new ATOM 0 HH11 ARG A 32 5.766 -8.244 0.727 1.00 14.43 H new ATOM 0 HH12 ARG A 32 6.243 -8.808 -0.877 1.00 14.43 H new ATOM 0 HH21 ARG A 32 2.958 -9.590 -1.878 1.00 12.34 H new ATOM 0 HH22 ARG A 32 4.662 -9.564 -2.341 1.00 12.34 H new ATOM 529 N THR A 33 1.871 -6.380 -1.067 1.00 13.22 N ATOM 530 CA THR A 33 0.627 -6.371 -1.844 1.00 23.33 C ATOM 531 C THR A 33 -0.517 -6.991 -1.023 1.00 14.43 C ATOM 532 O THR A 33 -0.294 -7.921 -0.239 1.00 12.11 O ATOM 533 CB THR A 33 0.839 -7.157 -3.178 1.00 22.54 C ATOM 534 OG1 THR A 33 1.406 -8.449 -2.890 1.00 62.34 O ATOM 535 CG2 THR A 33 1.767 -6.399 -4.145 1.00 74.11 C ATOM 0 H THR A 33 2.184 -7.317 -0.814 1.00 13.22 H new ATOM 0 HA THR A 33 0.356 -5.342 -2.081 1.00 23.33 H new ATOM 0 HB THR A 33 -0.133 -7.268 -3.659 1.00 22.54 H new ATOM 0 HG1 THR A 33 1.537 -8.942 -3.726 1.00 62.34 H new ATOM 0 HG21 THR A 33 1.890 -6.978 -5.060 1.00 74.11 H new ATOM 0 HG22 THR A 33 1.330 -5.430 -4.384 1.00 74.11 H new ATOM 0 HG23 THR A 33 2.740 -6.252 -3.676 1.00 74.11 H new ATOM 543 N ALA A 34 -1.728 -6.435 -1.184 1.00 14.43 N ATOM 544 CA ALA A 34 -2.954 -6.964 -0.574 1.00 63.54 C ATOM 545 C ALA A 34 -3.999 -7.203 -1.669 1.00 63.42 C ATOM 546 O ALA A 34 -4.338 -6.281 -2.419 1.00 72.25 O ATOM 547 CB ALA A 34 -3.494 -6.003 0.502 1.00 21.42 C ATOM 0 H ALA A 34 -1.883 -5.598 -1.746 1.00 14.43 H new ATOM 0 HA ALA A 34 -2.729 -7.910 -0.081 1.00 63.54 H new ATOM 0 HB1 ALA A 34 -4.402 -6.419 0.938 1.00 21.42 H new ATOM 0 HB2 ALA A 34 -2.744 -5.872 1.282 1.00 21.42 H new ATOM 0 HB3 ALA A 34 -3.718 -5.038 0.048 1.00 21.42 H new ATOM 553 N THR A 35 -4.468 -8.452 -1.775 1.00 43.41 N ATOM 554 CA THR A 35 -5.532 -8.853 -2.715 1.00 63.11 C ATOM 555 C THR A 35 -6.766 -9.386 -1.948 1.00 11.13 C ATOM 556 O THR A 35 -7.811 -9.667 -2.551 1.00 32.34 O ATOM 557 CB THR A 35 -5.004 -9.928 -3.726 1.00 43.34 C ATOM 558 OG1 THR A 35 -6.000 -10.203 -4.727 1.00 31.11 O ATOM 559 CG2 THR A 35 -4.588 -11.236 -3.034 1.00 45.23 C ATOM 0 H THR A 35 -4.119 -9.224 -1.207 1.00 43.41 H new ATOM 0 HA THR A 35 -5.835 -7.972 -3.281 1.00 63.11 H new ATOM 0 HB THR A 35 -4.113 -9.510 -4.195 1.00 43.34 H new ATOM 0 HG1 THR A 35 -6.503 -9.385 -4.921 1.00 31.11 H new ATOM 0 HG21 THR A 35 -4.230 -11.945 -3.781 1.00 45.23 H new ATOM 0 HG22 THR A 35 -3.792 -11.031 -2.318 1.00 45.23 H new ATOM 0 HG23 THR A 35 -5.446 -11.660 -2.512 1.00 45.23 H new ATOM 567 N SER A 36 -6.627 -9.496 -0.612 1.00 62.50 N ATOM 568 CA SER A 36 -7.661 -10.044 0.278 1.00 74.01 C ATOM 569 C SER A 36 -7.408 -9.606 1.731 1.00 62.41 C ATOM 570 O SER A 36 -6.333 -9.072 2.069 1.00 23.11 O ATOM 571 CB SER A 36 -7.669 -11.595 0.169 1.00 61.23 C ATOM 572 OG SER A 36 -8.637 -12.196 1.016 1.00 25.12 O ATOM 0 H SER A 36 -5.784 -9.203 -0.119 1.00 62.50 H new ATOM 0 HA SER A 36 -8.635 -9.660 -0.026 1.00 74.01 H new ATOM 0 HB2 SER A 36 -7.867 -11.882 -0.864 1.00 61.23 H new ATOM 0 HB3 SER A 36 -6.681 -11.979 0.423 1.00 61.23 H new ATOM 0 HG SER A 36 -8.834 -13.101 0.697 1.00 25.12 H new ATOM 578 N SER A 37 -8.408 -9.877 2.589 1.00 32.12 N ATOM 579 CA SER A 37 -8.341 -9.624 4.035 1.00 33.41 C ATOM 580 C SER A 37 -7.290 -10.531 4.703 1.00 34.22 C ATOM 581 O SER A 37 -6.809 -10.222 5.794 1.00 3.00 O ATOM 582 CB SER A 37 -9.726 -9.854 4.676 1.00 34.41 C ATOM 583 OG SER A 37 -10.731 -9.134 3.985 1.00 4.30 O ATOM 0 H SER A 37 -9.295 -10.283 2.291 1.00 32.12 H new ATOM 0 HA SER A 37 -8.044 -8.587 4.189 1.00 33.41 H new ATOM 0 HB2 SER A 37 -9.963 -10.918 4.665 1.00 34.41 H new ATOM 0 HB3 SER A 37 -9.704 -9.543 5.720 1.00 34.41 H new ATOM 0 HG SER A 37 -11.089 -8.432 4.567 1.00 4.30 H new ATOM 589 N GLN A 38 -6.947 -11.650 4.016 1.00 12.35 N ATOM 590 CA GLN A 38 -5.906 -12.592 4.458 1.00 41.11 C ATOM 591 C GLN A 38 -4.553 -11.862 4.560 1.00 2.34 C ATOM 592 O GLN A 38 -3.851 -11.953 5.580 1.00 5.33 O ATOM 593 CB GLN A 38 -5.789 -13.783 3.461 1.00 71.32 C ATOM 594 CG GLN A 38 -7.121 -14.477 3.101 1.00 31.44 C ATOM 595 CD GLN A 38 -7.892 -15.050 4.298 1.00 70.20 C ATOM 596 OE1 GLN A 38 -7.315 -15.431 5.316 1.00 25.33 O ATOM 597 NE2 GLN A 38 -9.207 -15.145 4.172 1.00 4.24 N ATOM 0 H GLN A 38 -7.391 -11.919 3.138 1.00 12.35 H new ATOM 0 HA GLN A 38 -6.182 -12.983 5.437 1.00 41.11 H new ATOM 0 HB2 GLN A 38 -5.327 -13.422 2.542 1.00 71.32 H new ATOM 0 HB3 GLN A 38 -5.115 -14.526 3.886 1.00 71.32 H new ATOM 0 HG2 GLN A 38 -7.760 -13.761 2.585 1.00 31.44 H new ATOM 0 HG3 GLN A 38 -6.915 -15.285 2.399 1.00 31.44 H new ATOM 0 HE21 GLN A 38 -9.662 -14.822 3.318 1.00 4.24 H new ATOM 0 HE22 GLN A 38 -9.765 -15.541 4.929 1.00 4.24 H new ATOM 606 N ASP A 39 -4.218 -11.135 3.469 1.00 22.23 N ATOM 607 CA ASP A 39 -3.002 -10.308 3.370 1.00 75.04 C ATOM 608 C ASP A 39 -3.058 -9.183 4.401 1.00 24.15 C ATOM 609 O ASP A 39 -2.110 -8.994 5.157 1.00 73.15 O ATOM 610 CB ASP A 39 -2.855 -9.683 1.957 1.00 33.52 C ATOM 611 CG ASP A 39 -2.994 -10.710 0.834 1.00 1.30 C ATOM 612 OD1 ASP A 39 -2.013 -11.418 0.532 1.00 25.33 O ATOM 613 OD2 ASP A 39 -4.095 -10.821 0.261 1.00 63.33 O ATOM 0 H ASP A 39 -4.793 -11.109 2.627 1.00 22.23 H new ATOM 0 HA ASP A 39 -2.145 -10.954 3.558 1.00 75.04 H new ATOM 0 HB2 ASP A 39 -3.610 -8.907 1.828 1.00 33.52 H new ATOM 0 HB3 ASP A 39 -1.882 -9.197 1.880 1.00 33.52 H new ATOM 618 N ILE A 40 -4.213 -8.468 4.413 1.00 14.31 N ATOM 619 CA ILE A 40 -4.457 -7.281 5.268 1.00 75.05 C ATOM 620 C ILE A 40 -4.102 -7.565 6.741 1.00 21.42 C ATOM 621 O ILE A 40 -3.236 -6.885 7.308 1.00 64.14 O ATOM 622 CB ILE A 40 -5.960 -6.810 5.135 1.00 51.41 C ATOM 623 CG1 ILE A 40 -6.209 -6.216 3.709 1.00 3.41 C ATOM 624 CG2 ILE A 40 -6.388 -5.821 6.256 1.00 22.03 C ATOM 625 CD1 ILE A 40 -7.656 -5.877 3.399 1.00 23.41 C ATOM 0 H ILE A 40 -5.009 -8.704 3.821 1.00 14.31 H new ATOM 0 HA ILE A 40 -3.806 -6.478 4.923 1.00 75.05 H new ATOM 0 HB ILE A 40 -6.592 -7.688 5.265 1.00 51.41 H new ATOM 0 HG12 ILE A 40 -5.608 -5.313 3.598 1.00 3.41 H new ATOM 0 HG13 ILE A 40 -5.852 -6.930 2.967 1.00 3.41 H new ATOM 0 HG21 ILE A 40 -7.429 -5.534 6.110 1.00 22.03 H new ATOM 0 HG22 ILE A 40 -6.277 -6.302 7.228 1.00 22.03 H new ATOM 0 HG23 ILE A 40 -5.758 -4.932 6.217 1.00 22.03 H new ATOM 0 HD11 ILE A 40 -7.727 -5.472 2.389 1.00 23.41 H new ATOM 0 HD12 ILE A 40 -8.265 -6.778 3.472 1.00 23.41 H new ATOM 0 HD13 ILE A 40 -8.017 -5.137 4.113 1.00 23.41 H new ATOM 637 N ARG A 41 -4.763 -8.599 7.322 1.00 12.22 N ATOM 638 CA ARG A 41 -4.542 -9.048 8.716 1.00 10.33 C ATOM 639 C ARG A 41 -3.048 -9.179 9.014 1.00 51.42 C ATOM 640 O ARG A 41 -2.546 -8.571 9.961 1.00 34.01 O ATOM 641 CB ARG A 41 -5.254 -10.413 8.979 1.00 33.54 C ATOM 642 CG ARG A 41 -6.795 -10.343 9.037 1.00 1.33 C ATOM 643 CD ARG A 41 -7.281 -9.405 10.150 1.00 1.33 C ATOM 644 NE ARG A 41 -6.671 -9.725 11.461 1.00 63.40 N ATOM 645 CZ ARG A 41 -6.455 -8.839 12.457 1.00 62.41 C ATOM 646 NH1 ARG A 41 -6.800 -7.562 12.324 1.00 32.24 N ATOM 647 NH2 ARG A 41 -5.881 -9.248 13.576 1.00 64.03 N ATOM 0 H ARG A 41 -5.469 -9.147 6.830 1.00 12.22 H new ATOM 0 HA ARG A 41 -4.969 -8.295 9.379 1.00 10.33 H new ATOM 0 HB2 ARG A 41 -4.966 -11.113 8.195 1.00 33.54 H new ATOM 0 HB3 ARG A 41 -4.888 -10.821 9.921 1.00 33.54 H new ATOM 0 HG2 ARG A 41 -7.180 -9.998 8.077 1.00 1.33 H new ATOM 0 HG3 ARG A 41 -7.198 -11.342 9.202 1.00 1.33 H new ATOM 0 HD2 ARG A 41 -7.044 -8.375 9.883 1.00 1.33 H new ATOM 0 HD3 ARG A 41 -8.366 -9.472 10.231 1.00 1.33 H new ATOM 0 HE ARG A 41 -6.392 -10.692 11.625 1.00 63.40 H new ATOM 0 HH11 ARG A 41 -7.235 -7.239 11.460 1.00 32.24 H new ATOM 0 HH12 ARG A 41 -6.630 -6.906 13.086 1.00 32.24 H new ATOM 0 HH21 ARG A 41 -5.606 -10.225 13.681 1.00 64.03 H new ATOM 0 HH22 ARG A 41 -5.713 -8.587 14.334 1.00 64.03 H new ATOM 661 N ASP A 42 -2.357 -9.937 8.146 1.00 33.22 N ATOM 662 CA ASP A 42 -0.925 -10.239 8.273 1.00 75.42 C ATOM 663 C ASP A 42 -0.071 -8.953 8.256 1.00 41.32 C ATOM 664 O ASP A 42 0.906 -8.843 9.013 1.00 73.32 O ATOM 665 CB ASP A 42 -0.504 -11.202 7.127 1.00 65.11 C ATOM 666 CG ASP A 42 0.971 -11.618 7.210 1.00 61.30 C ATOM 667 OD1 ASP A 42 1.301 -12.500 8.029 1.00 23.42 O ATOM 668 OD2 ASP A 42 1.809 -11.047 6.482 1.00 33.31 O ATOM 0 H ASP A 42 -2.786 -10.363 7.324 1.00 33.22 H new ATOM 0 HA ASP A 42 -0.751 -10.722 9.234 1.00 75.42 H new ATOM 0 HB2 ASP A 42 -1.130 -12.093 7.159 1.00 65.11 H new ATOM 0 HB3 ASP A 42 -0.687 -10.719 6.167 1.00 65.11 H new ATOM 673 N ILE A 43 -0.463 -7.990 7.393 1.00 74.03 N ATOM 674 CA ILE A 43 0.263 -6.718 7.209 1.00 52.43 C ATOM 675 C ILE A 43 0.228 -5.906 8.512 1.00 52.43 C ATOM 676 O ILE A 43 1.267 -5.487 9.029 1.00 12.54 O ATOM 677 CB ILE A 43 -0.372 -5.896 6.014 1.00 2.52 C ATOM 678 CG1 ILE A 43 -0.127 -6.628 4.651 1.00 51.15 C ATOM 679 CG2 ILE A 43 0.144 -4.439 5.964 1.00 12.02 C ATOM 680 CD1 ILE A 43 -0.918 -6.089 3.469 1.00 32.35 C ATOM 0 H ILE A 43 -1.292 -8.075 6.805 1.00 74.03 H new ATOM 0 HA ILE A 43 1.303 -6.929 6.961 1.00 52.43 H new ATOM 0 HB ILE A 43 -1.446 -5.843 6.192 1.00 2.52 H new ATOM 0 HG12 ILE A 43 0.935 -6.570 4.413 1.00 51.15 H new ATOM 0 HG13 ILE A 43 -0.368 -7.684 4.777 1.00 51.15 H new ATOM 0 HG21 ILE A 43 -0.321 -3.917 5.128 1.00 12.02 H new ATOM 0 HG22 ILE A 43 -0.109 -3.931 6.895 1.00 12.02 H new ATOM 0 HG23 ILE A 43 1.226 -4.441 5.834 1.00 12.02 H new ATOM 0 HD11 ILE A 43 -0.675 -6.665 2.576 1.00 32.35 H new ATOM 0 HD12 ILE A 43 -1.985 -6.173 3.676 1.00 32.35 H new ATOM 0 HD13 ILE A 43 -0.662 -5.042 3.307 1.00 32.35 H new ATOM 692 N ILE A 44 -0.988 -5.763 9.052 1.00 34.53 N ATOM 693 CA ILE A 44 -1.273 -4.922 10.223 1.00 2.01 C ATOM 694 C ILE A 44 -0.654 -5.528 11.501 1.00 2.00 C ATOM 695 O ILE A 44 -0.185 -4.780 12.361 1.00 72.25 O ATOM 696 CB ILE A 44 -2.827 -4.692 10.359 1.00 21.11 C ATOM 697 CG1 ILE A 44 -3.362 -4.001 9.058 1.00 60.41 C ATOM 698 CG2 ILE A 44 -3.191 -3.872 11.625 1.00 20.31 C ATOM 699 CD1 ILE A 44 -4.860 -3.780 9.008 1.00 10.55 C ATOM 0 H ILE A 44 -1.814 -6.234 8.683 1.00 34.53 H new ATOM 0 HA ILE A 44 -0.808 -3.946 10.083 1.00 2.01 H new ATOM 0 HB ILE A 44 -3.310 -5.662 10.477 1.00 21.11 H new ATOM 0 HG12 ILE A 44 -2.866 -3.037 8.949 1.00 60.41 H new ATOM 0 HG13 ILE A 44 -3.073 -4.607 8.200 1.00 60.41 H new ATOM 0 HG21 ILE A 44 -4.272 -3.740 11.675 1.00 20.31 H new ATOM 0 HG22 ILE A 44 -2.849 -4.403 12.513 1.00 20.31 H new ATOM 0 HG23 ILE A 44 -2.708 -2.896 11.578 1.00 20.31 H new ATOM 0 HD11 ILE A 44 -5.125 -3.297 8.068 1.00 10.55 H new ATOM 0 HD12 ILE A 44 -5.372 -4.740 9.080 1.00 10.55 H new ATOM 0 HD13 ILE A 44 -5.162 -3.145 9.841 1.00 10.55 H new ATOM 711 N LYS A 45 -0.614 -6.888 11.582 1.00 14.03 N ATOM 712 CA LYS A 45 0.062 -7.627 12.682 1.00 71.25 C ATOM 713 C LYS A 45 1.512 -7.146 12.833 1.00 74.21 C ATOM 714 O LYS A 45 1.939 -6.748 13.925 1.00 73.23 O ATOM 715 CB LYS A 45 0.059 -9.164 12.423 1.00 20.32 C ATOM 716 CG LYS A 45 -1.321 -9.837 12.519 1.00 12.12 C ATOM 717 CD LYS A 45 -1.285 -11.320 12.075 1.00 45.41 C ATOM 718 CE LYS A 45 -2.677 -11.960 12.029 1.00 64.34 C ATOM 719 NZ LYS A 45 -2.629 -13.373 11.592 1.00 62.03 N ATOM 0 H LYS A 45 -1.048 -7.498 10.889 1.00 14.03 H new ATOM 0 HA LYS A 45 -0.493 -7.427 13.599 1.00 71.25 H new ATOM 0 HB2 LYS A 45 0.469 -9.351 11.431 1.00 20.32 H new ATOM 0 HB3 LYS A 45 0.729 -9.639 13.140 1.00 20.32 H new ATOM 0 HG2 LYS A 45 -1.681 -9.776 13.546 1.00 12.12 H new ATOM 0 HG3 LYS A 45 -2.032 -9.292 11.899 1.00 12.12 H new ATOM 0 HD2 LYS A 45 -0.826 -11.388 11.089 1.00 45.41 H new ATOM 0 HD3 LYS A 45 -0.653 -11.885 12.761 1.00 45.41 H new ATOM 0 HE2 LYS A 45 -3.134 -11.902 13.017 1.00 64.34 H new ATOM 0 HE3 LYS A 45 -3.313 -11.393 11.350 1.00 64.34 H new ATOM 0 HZ1 LYS A 45 -3.592 -13.764 11.576 1.00 62.03 H new ATOM 0 HZ2 LYS A 45 -2.217 -13.428 10.639 1.00 62.03 H new ATOM 0 HZ3 LYS A 45 -2.044 -13.921 12.254 1.00 62.03 H new ATOM 733 N SER A 46 2.230 -7.149 11.702 1.00 22.41 N ATOM 734 CA SER A 46 3.642 -6.774 11.641 1.00 43.20 C ATOM 735 C SER A 46 3.819 -5.268 11.887 1.00 42.23 C ATOM 736 O SER A 46 4.741 -4.869 12.592 1.00 32.21 O ATOM 737 CB SER A 46 4.219 -7.175 10.269 1.00 31.25 C ATOM 738 OG SER A 46 5.587 -6.816 10.131 1.00 40.24 O ATOM 0 H SER A 46 1.840 -7.415 10.798 1.00 22.41 H new ATOM 0 HA SER A 46 4.184 -7.302 12.425 1.00 43.20 H new ATOM 0 HB2 SER A 46 4.113 -8.251 10.134 1.00 31.25 H new ATOM 0 HB3 SER A 46 3.639 -6.696 9.480 1.00 31.25 H new ATOM 0 HG SER A 46 5.910 -7.091 9.247 1.00 40.24 H new ATOM 744 N MET A 47 2.888 -4.452 11.347 1.00 35.44 N ATOM 745 CA MET A 47 3.001 -2.975 11.351 1.00 31.32 C ATOM 746 C MET A 47 2.803 -2.367 12.750 1.00 61.12 C ATOM 747 O MET A 47 3.159 -1.199 12.971 1.00 21.34 O ATOM 748 CB MET A 47 2.014 -2.344 10.337 1.00 12.33 C ATOM 749 CG MET A 47 2.439 -2.500 8.872 1.00 70.34 C ATOM 750 SD MET A 47 4.078 -1.801 8.550 1.00 2.42 S ATOM 751 CE MET A 47 3.857 -0.081 9.019 1.00 15.41 C ATOM 0 H MET A 47 2.039 -4.796 10.897 1.00 35.44 H new ATOM 0 HA MET A 47 4.020 -2.739 11.045 1.00 31.32 H new ATOM 0 HB2 MET A 47 1.032 -2.799 10.470 1.00 12.33 H new ATOM 0 HB3 MET A 47 1.907 -1.283 10.562 1.00 12.33 H new ATOM 0 HG2 MET A 47 2.440 -3.557 8.607 1.00 70.34 H new ATOM 0 HG3 MET A 47 1.706 -2.011 8.230 1.00 70.34 H new ATOM 0 HE1 MET A 47 4.655 0.520 8.584 1.00 15.41 H new ATOM 0 HE2 MET A 47 2.894 0.275 8.653 1.00 15.41 H new ATOM 0 HE3 MET A 47 3.888 0.007 10.105 1.00 15.41 H new ATOM 761 N LYS A 48 2.226 -3.149 13.682 1.00 43.12 N ATOM 762 CA LYS A 48 2.139 -2.756 15.099 1.00 44.33 C ATOM 763 C LYS A 48 3.547 -2.703 15.712 1.00 42.32 C ATOM 764 O LYS A 48 3.879 -1.795 16.483 1.00 10.50 O ATOM 765 CB LYS A 48 1.297 -3.763 15.912 1.00 13.22 C ATOM 766 CG LYS A 48 -0.143 -3.978 15.423 1.00 35.53 C ATOM 767 CD LYS A 48 -0.949 -4.956 16.317 1.00 3.34 C ATOM 768 CE LYS A 48 -0.444 -6.419 16.296 1.00 75.43 C ATOM 769 NZ LYS A 48 0.896 -6.622 16.918 1.00 70.33 N ATOM 0 H LYS A 48 1.813 -4.059 13.477 1.00 43.12 H new ATOM 0 HA LYS A 48 1.663 -1.776 15.139 1.00 44.33 H new ATOM 0 HB2 LYS A 48 1.810 -4.725 15.907 1.00 13.22 H new ATOM 0 HB3 LYS A 48 1.262 -3.426 16.948 1.00 13.22 H new ATOM 0 HG2 LYS A 48 -0.657 -3.017 15.391 1.00 35.53 H new ATOM 0 HG3 LYS A 48 -0.121 -4.362 14.403 1.00 35.53 H new ATOM 0 HD2 LYS A 48 -0.924 -4.592 17.344 1.00 3.34 H new ATOM 0 HD3 LYS A 48 -1.992 -4.941 15.999 1.00 3.34 H new ATOM 0 HE2 LYS A 48 -1.169 -7.047 16.813 1.00 75.43 H new ATOM 0 HE3 LYS A 48 -0.406 -6.762 15.262 1.00 75.43 H new ATOM 0 HZ1 LYS A 48 0.889 -7.497 17.480 1.00 70.33 H new ATOM 0 HZ2 LYS A 48 1.617 -6.695 16.172 1.00 70.33 H new ATOM 0 HZ3 LYS A 48 1.118 -5.816 17.536 1.00 70.33 H new ATOM 783 N ASP A 49 4.351 -3.710 15.351 1.00 25.54 N ATOM 784 CA ASP A 49 5.704 -3.921 15.891 1.00 22.32 C ATOM 785 C ASP A 49 6.753 -3.154 15.061 1.00 71.53 C ATOM 786 O ASP A 49 7.804 -2.761 15.592 1.00 73.03 O ATOM 787 CB ASP A 49 6.005 -5.441 15.917 1.00 43.53 C ATOM 788 CG ASP A 49 4.980 -6.227 16.759 1.00 64.22 C ATOM 789 OD1 ASP A 49 3.872 -6.530 16.251 1.00 45.21 O ATOM 790 OD2 ASP A 49 5.258 -6.515 17.946 1.00 23.05 O ATOM 0 H ASP A 49 4.078 -4.414 14.665 1.00 25.54 H new ATOM 0 HA ASP A 49 5.755 -3.532 16.908 1.00 22.32 H new ATOM 0 HB2 ASP A 49 6.006 -5.826 14.897 1.00 43.53 H new ATOM 0 HB3 ASP A 49 7.004 -5.604 16.320 1.00 43.53 H new ATOM 795 N ASN A 50 6.447 -2.928 13.763 1.00 22.14 N ATOM 796 CA ASN A 50 7.311 -2.151 12.852 1.00 13.45 C ATOM 797 C ASN A 50 7.280 -0.678 13.267 1.00 63.13 C ATOM 798 O ASN A 50 6.214 -0.066 13.265 1.00 35.43 O ATOM 799 CB ASN A 50 6.847 -2.256 11.361 1.00 14.02 C ATOM 800 CG ASN A 50 6.964 -3.654 10.757 1.00 71.53 C ATOM 801 OD1 ASN A 50 7.796 -4.457 11.168 1.00 63.32 O ATOM 802 ND2 ASN A 50 6.151 -3.944 9.750 1.00 35.15 N ATOM 0 H ASN A 50 5.597 -3.279 13.321 1.00 22.14 H new ATOM 0 HA ASN A 50 8.318 -2.563 12.924 1.00 13.45 H new ATOM 0 HB2 ASN A 50 5.809 -1.931 11.293 1.00 14.02 H new ATOM 0 HB3 ASN A 50 7.438 -1.564 10.761 1.00 14.02 H new ATOM 0 HD21 ASN A 50 6.207 -4.855 9.295 1.00 35.15 H new ATOM 0 HD22 ASN A 50 5.469 -3.256 9.430 1.00 35.15 H new ATOM 809 N GLY A 51 8.448 -0.129 13.630 1.00 75.11 N ATOM 810 CA GLY A 51 8.609 1.312 13.855 1.00 62.12 C ATOM 811 C GLY A 51 9.119 2.014 12.607 1.00 74.35 C ATOM 812 O GLY A 51 9.775 3.059 12.694 1.00 1.21 O ATOM 0 H GLY A 51 9.302 -0.668 13.775 1.00 75.11 H new ATOM 0 HA2 GLY A 51 7.654 1.744 14.153 1.00 62.12 H new ATOM 0 HA3 GLY A 51 9.304 1.478 14.678 1.00 62.12 H new ATOM 816 N LYS A 52 8.793 1.430 11.440 1.00 25.31 N ATOM 817 CA LYS A 52 9.207 1.912 10.120 1.00 51.13 C ATOM 818 C LYS A 52 7.998 1.908 9.163 1.00 75.42 C ATOM 819 O LYS A 52 6.993 1.235 9.451 1.00 64.13 O ATOM 820 CB LYS A 52 10.356 1.025 9.563 1.00 2.21 C ATOM 821 CG LYS A 52 10.021 -0.472 9.336 1.00 0.13 C ATOM 822 CD LYS A 52 11.143 -1.210 8.557 1.00 33.41 C ATOM 823 CE LYS A 52 12.535 -1.055 9.208 1.00 71.33 C ATOM 824 NZ LYS A 52 13.613 -1.646 8.378 1.00 10.01 N ATOM 0 H LYS A 52 8.219 0.588 11.393 1.00 25.31 H new ATOM 0 HA LYS A 52 9.578 2.933 10.208 1.00 51.13 H new ATOM 0 HB2 LYS A 52 10.686 1.449 8.615 1.00 2.21 H new ATOM 0 HB3 LYS A 52 11.199 1.086 10.251 1.00 2.21 H new ATOM 0 HG2 LYS A 52 9.868 -0.959 10.299 1.00 0.13 H new ATOM 0 HG3 LYS A 52 9.084 -0.554 8.785 1.00 0.13 H new ATOM 0 HD2 LYS A 52 10.895 -2.269 8.491 1.00 33.41 H new ATOM 0 HD3 LYS A 52 11.181 -0.828 7.537 1.00 33.41 H new ATOM 0 HE2 LYS A 52 12.742 0.003 9.370 1.00 71.33 H new ATOM 0 HE3 LYS A 52 12.531 -1.532 10.188 1.00 71.33 H new ATOM 0 HZ1 LYS A 52 14.505 -1.640 8.912 1.00 10.01 H new ATOM 0 HZ2 LYS A 52 13.364 -2.625 8.131 1.00 10.01 H new ATOM 0 HZ3 LYS A 52 13.727 -1.088 7.508 1.00 10.01 H new ATOM 838 N PRO A 53 8.059 2.661 8.014 1.00 32.30 N ATOM 839 CA PRO A 53 6.947 2.709 7.045 1.00 5.41 C ATOM 840 C PRO A 53 6.850 1.438 6.173 1.00 33.00 C ATOM 841 O PRO A 53 7.790 0.639 6.088 1.00 5.11 O ATOM 842 CB PRO A 53 7.291 3.955 6.194 1.00 32.00 C ATOM 843 CG PRO A 53 8.784 3.980 6.175 1.00 73.32 C ATOM 844 CD PRO A 53 9.195 3.533 7.565 1.00 24.44 C ATOM 0 HA PRO A 53 5.974 2.763 7.533 1.00 5.41 H new ATOM 0 HB2 PRO A 53 6.880 3.876 5.187 1.00 32.00 H new ATOM 0 HB3 PRO A 53 6.882 4.864 6.635 1.00 32.00 H new ATOM 0 HG2 PRO A 53 9.181 3.312 5.411 1.00 73.32 H new ATOM 0 HG3 PRO A 53 9.160 4.979 5.953 1.00 73.32 H new ATOM 0 HD2 PRO A 53 10.137 2.984 7.546 1.00 24.44 H new ATOM 0 HD3 PRO A 53 9.335 4.383 8.233 1.00 24.44 H new ATOM 852 N LEU A 54 5.683 1.272 5.544 1.00 15.44 N ATOM 853 CA LEU A 54 5.410 0.194 4.583 1.00 31.25 C ATOM 854 C LEU A 54 4.680 0.804 3.370 1.00 22.10 C ATOM 855 O LEU A 54 4.310 1.976 3.401 1.00 61.20 O ATOM 856 CB LEU A 54 4.557 -0.919 5.269 1.00 11.12 C ATOM 857 CG LEU A 54 4.619 -2.337 4.616 1.00 71.02 C ATOM 858 CD1 LEU A 54 6.053 -2.901 4.670 1.00 73.12 C ATOM 859 CD2 LEU A 54 3.613 -3.306 5.268 1.00 33.35 C ATOM 0 H LEU A 54 4.886 1.892 5.689 1.00 15.44 H new ATOM 0 HA LEU A 54 6.337 -0.268 4.243 1.00 31.25 H new ATOM 0 HB2 LEU A 54 4.878 -1.006 6.307 1.00 11.12 H new ATOM 0 HB3 LEU A 54 3.517 -0.594 5.283 1.00 11.12 H new ATOM 0 HG LEU A 54 4.335 -2.233 3.569 1.00 71.02 H new ATOM 0 HD11 LEU A 54 6.073 -3.889 4.210 1.00 73.12 H new ATOM 0 HD12 LEU A 54 6.726 -2.235 4.130 1.00 73.12 H new ATOM 0 HD13 LEU A 54 6.375 -2.978 5.709 1.00 73.12 H new ATOM 0 HD21 LEU A 54 3.685 -4.282 4.788 1.00 33.35 H new ATOM 0 HD22 LEU A 54 3.840 -3.406 6.329 1.00 33.35 H new ATOM 0 HD23 LEU A 54 2.602 -2.916 5.148 1.00 33.35 H new ATOM 871 N VAL A 55 4.461 0.008 2.316 1.00 12.33 N ATOM 872 CA VAL A 55 3.813 0.450 1.064 1.00 64.44 C ATOM 873 C VAL A 55 2.968 -0.723 0.547 1.00 45.12 C ATOM 874 O VAL A 55 3.512 -1.674 -0.019 1.00 13.32 O ATOM 875 CB VAL A 55 4.835 0.895 -0.066 1.00 11.34 C ATOM 876 CG1 VAL A 55 4.088 1.348 -1.347 1.00 42.32 C ATOM 877 CG2 VAL A 55 5.808 2.004 0.416 1.00 73.52 C ATOM 0 H VAL A 55 4.731 -0.976 2.304 1.00 12.33 H new ATOM 0 HA VAL A 55 3.214 1.332 1.291 1.00 64.44 H new ATOM 0 HB VAL A 55 5.437 0.018 -0.303 1.00 11.34 H new ATOM 0 HG11 VAL A 55 4.813 1.647 -2.104 1.00 42.32 H new ATOM 0 HG12 VAL A 55 3.485 0.523 -1.727 1.00 42.32 H new ATOM 0 HG13 VAL A 55 3.440 2.192 -1.111 1.00 42.32 H new ATOM 0 HG21 VAL A 55 6.485 2.271 -0.395 1.00 73.52 H new ATOM 0 HG22 VAL A 55 5.238 2.883 0.717 1.00 73.52 H new ATOM 0 HG23 VAL A 55 6.385 1.638 1.265 1.00 73.52 H new ATOM 887 N VAL A 56 1.651 -0.676 0.791 1.00 73.54 N ATOM 888 CA VAL A 56 0.719 -1.733 0.371 1.00 33.03 C ATOM 889 C VAL A 56 0.021 -1.354 -0.947 1.00 52.32 C ATOM 890 O VAL A 56 -0.734 -0.384 -1.012 1.00 54.12 O ATOM 891 CB VAL A 56 -0.331 -2.064 1.494 1.00 72.10 C ATOM 892 CG1 VAL A 56 -1.471 -2.985 0.982 1.00 71.45 C ATOM 893 CG2 VAL A 56 0.378 -2.705 2.717 1.00 63.10 C ATOM 0 H VAL A 56 1.202 0.095 1.285 1.00 73.54 H new ATOM 0 HA VAL A 56 1.303 -2.637 0.199 1.00 33.03 H new ATOM 0 HB VAL A 56 -0.792 -1.124 1.796 1.00 72.10 H new ATOM 0 HG11 VAL A 56 -2.170 -3.184 1.794 1.00 71.45 H new ATOM 0 HG12 VAL A 56 -1.996 -2.493 0.164 1.00 71.45 H new ATOM 0 HG13 VAL A 56 -1.048 -3.925 0.628 1.00 71.45 H new ATOM 0 HG21 VAL A 56 -0.359 -2.930 3.488 1.00 63.10 H new ATOM 0 HG22 VAL A 56 0.873 -3.626 2.409 1.00 63.10 H new ATOM 0 HG23 VAL A 56 1.118 -2.010 3.114 1.00 63.10 H new ATOM 903 N PHE A 57 0.305 -2.152 -1.979 1.00 24.24 N ATOM 904 CA PHE A 57 -0.332 -2.073 -3.290 1.00 73.44 C ATOM 905 C PHE A 57 -1.610 -2.904 -3.257 1.00 61.30 C ATOM 906 O PHE A 57 -1.552 -4.102 -2.965 1.00 72.13 O ATOM 907 CB PHE A 57 0.624 -2.619 -4.383 1.00 41.14 C ATOM 908 CG PHE A 57 1.822 -1.720 -4.643 1.00 64.50 C ATOM 909 CD1 PHE A 57 1.714 -0.663 -5.537 1.00 44.44 C ATOM 910 CD2 PHE A 57 3.044 -1.915 -3.993 1.00 64.43 C ATOM 911 CE1 PHE A 57 2.776 0.171 -5.772 1.00 41.05 C ATOM 912 CE2 PHE A 57 4.113 -1.072 -4.237 1.00 74.34 C ATOM 913 CZ PHE A 57 3.978 -0.034 -5.128 1.00 65.32 C ATOM 0 H PHE A 57 1.005 -2.891 -1.921 1.00 24.24 H new ATOM 0 HA PHE A 57 -0.566 -1.035 -3.525 1.00 73.44 H new ATOM 0 HB2 PHE A 57 0.978 -3.606 -4.085 1.00 41.14 H new ATOM 0 HB3 PHE A 57 0.067 -2.747 -5.311 1.00 41.14 H new ATOM 0 HD1 PHE A 57 0.781 -0.496 -6.054 1.00 44.44 H new ATOM 0 HD2 PHE A 57 3.154 -2.731 -3.294 1.00 64.43 H new ATOM 0 HE1 PHE A 57 2.671 0.993 -6.465 1.00 41.05 H new ATOM 0 HE2 PHE A 57 5.053 -1.229 -3.728 1.00 74.34 H new ATOM 0 HZ PHE A 57 4.814 0.621 -5.324 1.00 65.32 H new ATOM 923 N VAL A 58 -2.756 -2.270 -3.541 1.00 33.50 N ATOM 924 CA VAL A 58 -4.045 -2.969 -3.615 1.00 35.30 C ATOM 925 C VAL A 58 -4.101 -3.726 -4.956 1.00 63.51 C ATOM 926 O VAL A 58 -4.679 -3.261 -5.939 1.00 12.13 O ATOM 927 CB VAL A 58 -5.245 -1.945 -3.472 1.00 14.14 C ATOM 928 CG1 VAL A 58 -6.623 -2.635 -3.610 1.00 53.34 C ATOM 929 CG2 VAL A 58 -5.146 -1.162 -2.134 1.00 23.30 C ATOM 0 H VAL A 58 -2.816 -1.268 -3.724 1.00 33.50 H new ATOM 0 HA VAL A 58 -4.140 -3.680 -2.794 1.00 35.30 H new ATOM 0 HB VAL A 58 -5.161 -1.235 -4.295 1.00 14.14 H new ATOM 0 HG11 VAL A 58 -7.414 -1.892 -3.505 1.00 53.34 H new ATOM 0 HG12 VAL A 58 -6.697 -3.107 -4.589 1.00 53.34 H new ATOM 0 HG13 VAL A 58 -6.730 -3.392 -2.833 1.00 53.34 H new ATOM 0 HG21 VAL A 58 -5.980 -0.465 -2.058 1.00 23.30 H new ATOM 0 HG22 VAL A 58 -5.181 -1.862 -1.299 1.00 23.30 H new ATOM 0 HG23 VAL A 58 -4.207 -0.609 -2.105 1.00 23.30 H new ATOM 939 N ASN A 59 -3.463 -4.903 -4.993 1.00 54.00 N ATOM 940 CA ASN A 59 -3.309 -5.675 -6.227 1.00 3.20 C ATOM 941 C ASN A 59 -4.531 -6.578 -6.405 1.00 2.11 C ATOM 942 O ASN A 59 -4.556 -7.697 -5.896 1.00 4.31 O ATOM 943 CB ASN A 59 -1.992 -6.500 -6.194 1.00 52.11 C ATOM 944 CG ASN A 59 -1.622 -7.095 -7.560 1.00 44.34 C ATOM 945 OD1 ASN A 59 -1.680 -6.419 -8.586 1.00 35.35 O ATOM 946 ND2 ASN A 59 -1.270 -8.366 -7.586 1.00 20.23 N ATOM 0 H ASN A 59 -3.043 -5.342 -4.174 1.00 54.00 H new ATOM 0 HA ASN A 59 -3.244 -4.999 -7.079 1.00 3.20 H new ATOM 0 HB2 ASN A 59 -1.178 -5.862 -5.850 1.00 52.11 H new ATOM 0 HB3 ASN A 59 -2.093 -7.307 -5.468 1.00 52.11 H new ATOM 0 HD21 ASN A 59 -1.037 -8.813 -8.473 1.00 20.23 H new ATOM 0 HD22 ASN A 59 -1.231 -8.902 -6.719 1.00 20.23 H new ATOM 953 N GLY A 60 -5.567 -6.039 -7.065 1.00 60.20 N ATOM 954 CA GLY A 60 -6.777 -6.794 -7.374 1.00 31.21 C ATOM 955 C GLY A 60 -7.612 -7.112 -6.143 1.00 21.01 C ATOM 956 O GLY A 60 -7.987 -8.269 -5.921 1.00 65.12 O ATOM 0 H GLY A 60 -5.584 -5.074 -7.395 1.00 60.20 H new ATOM 0 HA2 GLY A 60 -7.383 -6.225 -8.080 1.00 31.21 H new ATOM 0 HA3 GLY A 60 -6.501 -7.725 -7.869 1.00 31.21 H new ATOM 960 N ALA A 61 -7.871 -6.083 -5.322 1.00 41.13 N ATOM 961 CA ALA A 61 -8.747 -6.188 -4.142 1.00 72.21 C ATOM 962 C ALA A 61 -9.900 -5.187 -4.257 1.00 24.00 C ATOM 963 O ALA A 61 -9.731 -4.100 -4.828 1.00 10.02 O ATOM 964 CB ALA A 61 -7.958 -5.966 -2.838 1.00 62.23 C ATOM 0 H ALA A 61 -7.478 -5.151 -5.457 1.00 41.13 H new ATOM 0 HA ALA A 61 -9.158 -7.197 -4.108 1.00 72.21 H new ATOM 0 HB1 ALA A 61 -8.632 -6.050 -1.986 1.00 62.23 H new ATOM 0 HB2 ALA A 61 -7.173 -6.718 -2.755 1.00 62.23 H new ATOM 0 HB3 ALA A 61 -7.509 -4.973 -2.849 1.00 62.23 H new ATOM 970 N SER A 62 -11.064 -5.574 -3.719 1.00 64.13 N ATOM 971 CA SER A 62 -12.261 -4.727 -3.687 1.00 53.12 C ATOM 972 C SER A 62 -12.067 -3.574 -2.683 1.00 31.12 C ATOM 973 O SER A 62 -11.337 -3.717 -1.691 1.00 55.32 O ATOM 974 CB SER A 62 -13.494 -5.579 -3.304 1.00 33.24 C ATOM 975 OG SER A 62 -14.670 -4.793 -3.202 1.00 71.35 O ATOM 0 H SER A 62 -11.201 -6.490 -3.291 1.00 64.13 H new ATOM 0 HA SER A 62 -12.424 -4.299 -4.676 1.00 53.12 H new ATOM 0 HB2 SER A 62 -13.642 -6.359 -4.051 1.00 33.24 H new ATOM 0 HB3 SER A 62 -13.308 -6.079 -2.354 1.00 33.24 H new ATOM 0 HG SER A 62 -15.448 -5.380 -3.103 1.00 71.35 H new ATOM 981 N GLN A 63 -12.747 -2.443 -2.944 1.00 10.20 N ATOM 982 CA GLN A 63 -12.702 -1.251 -2.072 1.00 52.10 C ATOM 983 C GLN A 63 -13.270 -1.584 -0.675 1.00 24.12 C ATOM 984 O GLN A 63 -12.833 -1.016 0.326 1.00 35.44 O ATOM 985 CB GLN A 63 -13.470 -0.073 -2.736 1.00 13.32 C ATOM 986 CG GLN A 63 -13.458 1.267 -1.961 1.00 43.42 C ATOM 987 CD GLN A 63 -12.049 1.772 -1.628 1.00 24.52 C ATOM 988 OE1 GLN A 63 -11.401 2.426 -2.436 1.00 20.24 O ATOM 989 NE2 GLN A 63 -11.578 1.511 -0.421 1.00 10.32 N ATOM 0 H GLN A 63 -13.343 -2.328 -3.764 1.00 10.20 H new ATOM 0 HA GLN A 63 -11.665 -0.943 -1.941 1.00 52.10 H new ATOM 0 HB2 GLN A 63 -13.047 0.099 -3.726 1.00 13.32 H new ATOM 0 HB3 GLN A 63 -14.507 -0.377 -2.881 1.00 13.32 H new ATOM 0 HG2 GLN A 63 -13.976 2.023 -2.551 1.00 43.42 H new ATOM 0 HG3 GLN A 63 -14.020 1.146 -1.035 1.00 43.42 H new ATOM 0 HE21 GLN A 63 -12.134 0.964 0.236 1.00 10.32 H new ATOM 0 HE22 GLN A 63 -10.658 1.856 -0.147 1.00 10.32 H new ATOM 998 N ASN A 64 -14.218 -2.544 -0.633 1.00 42.24 N ATOM 999 CA ASN A 64 -14.783 -3.093 0.620 1.00 53.31 C ATOM 1000 C ASN A 64 -13.658 -3.660 1.517 1.00 22.52 C ATOM 1001 O ASN A 64 -13.618 -3.397 2.726 1.00 51.43 O ATOM 1002 CB ASN A 64 -15.820 -4.204 0.290 1.00 25.22 C ATOM 1003 CG ASN A 64 -17.006 -3.702 -0.538 1.00 45.24 C ATOM 1004 OD1 ASN A 64 -18.079 -3.294 0.124 1.00 33.34 O flip ATOM 1005 ND2 ASN A 64 -16.959 -3.683 -1.767 1.00 2.13 N flip ATOM 0 H ASN A 64 -14.616 -2.963 -1.473 1.00 42.24 H new ATOM 0 HA ASN A 64 -15.283 -2.290 1.161 1.00 53.31 H new ATOM 0 HB2 ASN A 64 -15.321 -5.007 -0.253 1.00 25.22 H new ATOM 0 HB3 ASN A 64 -16.192 -4.632 1.221 1.00 25.22 H new ATOM 0 HD21 ASN A 64 -16.120 -4.003 -2.250 1.00 2.13 H new ATOM 0 HD22 ASN A 64 -17.759 -3.347 -2.303 1.00 2.13 H new ATOM 1012 N ASP A 65 -12.727 -4.402 0.880 1.00 43.24 N ATOM 1013 CA ASP A 65 -11.556 -5.018 1.554 1.00 31.12 C ATOM 1014 C ASP A 65 -10.603 -3.931 2.057 1.00 53.42 C ATOM 1015 O ASP A 65 -10.101 -3.993 3.180 1.00 42.11 O ATOM 1016 CB ASP A 65 -10.778 -5.965 0.591 1.00 4.21 C ATOM 1017 CG ASP A 65 -11.564 -7.210 0.157 1.00 72.10 C ATOM 1018 OD1 ASP A 65 -12.730 -7.075 -0.278 1.00 24.23 O ATOM 1019 OD2 ASP A 65 -11.018 -8.333 0.224 1.00 65.12 O ATOM 0 H ASP A 65 -12.764 -4.593 -0.121 1.00 43.24 H new ATOM 0 HA ASP A 65 -11.932 -5.603 2.393 1.00 31.12 H new ATOM 0 HB2 ASP A 65 -10.490 -5.403 -0.298 1.00 4.21 H new ATOM 0 HB3 ASP A 65 -9.857 -6.283 1.079 1.00 4.21 H new ATOM 1024 N VAL A 66 -10.393 -2.920 1.205 1.00 50.21 N ATOM 1025 CA VAL A 66 -9.472 -1.798 1.479 1.00 21.53 C ATOM 1026 C VAL A 66 -9.946 -0.979 2.707 1.00 23.34 C ATOM 1027 O VAL A 66 -9.135 -0.449 3.475 1.00 64.11 O ATOM 1028 CB VAL A 66 -9.360 -0.876 0.213 1.00 2.52 C ATOM 1029 CG1 VAL A 66 -8.458 0.348 0.463 1.00 55.05 C ATOM 1030 CG2 VAL A 66 -8.875 -1.680 -1.013 1.00 12.20 C ATOM 0 H VAL A 66 -10.858 -2.852 0.299 1.00 50.21 H new ATOM 0 HA VAL A 66 -8.488 -2.206 1.708 1.00 21.53 H new ATOM 0 HB VAL A 66 -10.360 -0.497 0.002 1.00 2.52 H new ATOM 0 HG11 VAL A 66 -8.411 0.956 -0.441 1.00 55.05 H new ATOM 0 HG12 VAL A 66 -8.869 0.942 1.279 1.00 55.05 H new ATOM 0 HG13 VAL A 66 -7.455 0.013 0.727 1.00 55.05 H new ATOM 0 HG21 VAL A 66 -8.806 -1.019 -1.877 1.00 12.20 H new ATOM 0 HG22 VAL A 66 -7.894 -2.107 -0.803 1.00 12.20 H new ATOM 0 HG23 VAL A 66 -9.582 -2.482 -1.225 1.00 12.20 H new ATOM 1040 N ASN A 67 -11.272 -0.903 2.878 1.00 65.23 N ATOM 1041 CA ASN A 67 -11.897 -0.199 4.010 1.00 61.14 C ATOM 1042 C ASN A 67 -11.723 -0.997 5.318 1.00 71.12 C ATOM 1043 O ASN A 67 -11.615 -0.400 6.398 1.00 14.42 O ATOM 1044 CB ASN A 67 -13.388 0.073 3.710 1.00 11.43 C ATOM 1045 CG ASN A 67 -13.588 0.999 2.511 1.00 1.14 C ATOM 1046 OD1 ASN A 67 -12.764 1.872 2.235 1.00 33.32 O ATOM 1047 ND2 ASN A 67 -14.662 0.802 1.775 1.00 13.23 N ATOM 0 H ASN A 67 -11.943 -1.327 2.237 1.00 65.23 H new ATOM 0 HA ASN A 67 -11.397 0.760 4.144 1.00 61.14 H new ATOM 0 HB2 ASN A 67 -13.895 -0.873 3.522 1.00 11.43 H new ATOM 0 HB3 ASN A 67 -13.856 0.516 4.589 1.00 11.43 H new ATOM 0 HD21 ASN A 67 -14.829 1.380 0.951 1.00 13.23 H new ATOM 0 HD22 ASN A 67 -15.327 0.071 2.028 1.00 13.23 H new ATOM 1054 N GLU A 68 -11.687 -2.351 5.207 1.00 44.13 N ATOM 1055 CA GLU A 68 -11.376 -3.242 6.348 1.00 25.42 C ATOM 1056 C GLU A 68 -9.956 -2.963 6.854 1.00 64.12 C ATOM 1057 O GLU A 68 -9.728 -2.902 8.069 1.00 51.42 O ATOM 1058 CB GLU A 68 -11.511 -4.739 5.966 1.00 60.31 C ATOM 1059 CG GLU A 68 -12.927 -5.160 5.547 1.00 1.15 C ATOM 1060 CD GLU A 68 -13.024 -6.654 5.237 1.00 25.32 C ATOM 1061 OE1 GLU A 68 -12.659 -7.052 4.117 1.00 1.12 O ATOM 1062 OE2 GLU A 68 -13.424 -7.444 6.125 1.00 21.43 O ATOM 0 H GLU A 68 -11.871 -2.847 4.335 1.00 44.13 H new ATOM 0 HA GLU A 68 -12.099 -3.033 7.137 1.00 25.42 H new ATOM 0 HB2 GLU A 68 -10.823 -4.957 5.149 1.00 60.31 H new ATOM 0 HB3 GLU A 68 -11.200 -5.348 6.815 1.00 60.31 H new ATOM 0 HG2 GLU A 68 -13.628 -4.911 6.344 1.00 1.15 H new ATOM 0 HG3 GLU A 68 -13.228 -4.589 4.668 1.00 1.15 H new ATOM 1069 N PHE A 69 -9.023 -2.777 5.890 1.00 2.50 N ATOM 1070 CA PHE A 69 -7.626 -2.412 6.170 1.00 1.11 C ATOM 1071 C PHE A 69 -7.563 -1.119 6.997 1.00 63.21 C ATOM 1072 O PHE A 69 -6.886 -1.077 8.015 1.00 52.11 O ATOM 1073 CB PHE A 69 -6.820 -2.254 4.844 1.00 3.13 C ATOM 1074 CG PHE A 69 -5.390 -1.717 5.029 1.00 51.11 C ATOM 1075 CD1 PHE A 69 -4.361 -2.555 5.465 1.00 74.21 C ATOM 1076 CD2 PHE A 69 -5.083 -0.371 4.783 1.00 40.23 C ATOM 1077 CE1 PHE A 69 -3.080 -2.066 5.653 1.00 21.01 C ATOM 1078 CE2 PHE A 69 -3.804 0.110 4.970 1.00 21.34 C ATOM 1079 CZ PHE A 69 -2.804 -0.736 5.403 1.00 2.44 C ATOM 0 H PHE A 69 -9.225 -2.878 4.895 1.00 2.50 H new ATOM 0 HA PHE A 69 -7.173 -3.215 6.751 1.00 1.11 H new ATOM 0 HB2 PHE A 69 -6.770 -3.222 4.346 1.00 3.13 H new ATOM 0 HB3 PHE A 69 -7.364 -1.582 4.180 1.00 3.13 H new ATOM 0 HD1 PHE A 69 -4.568 -3.597 5.658 1.00 74.21 H new ATOM 0 HD2 PHE A 69 -5.859 0.298 4.442 1.00 40.23 H new ATOM 0 HE1 PHE A 69 -2.296 -2.725 5.995 1.00 21.01 H new ATOM 0 HE2 PHE A 69 -3.585 1.150 4.777 1.00 21.34 H new ATOM 0 HZ PHE A 69 -1.803 -0.357 5.547 1.00 2.44 H new ATOM 1089 N GLN A 70 -8.256 -0.072 6.512 1.00 52.22 N ATOM 1090 CA GLN A 70 -8.310 1.253 7.173 1.00 11.31 C ATOM 1091 C GLN A 70 -8.813 1.170 8.629 1.00 50.55 C ATOM 1092 O GLN A 70 -8.248 1.817 9.515 1.00 41.32 O ATOM 1093 CB GLN A 70 -9.197 2.211 6.344 1.00 3.34 C ATOM 1094 CG GLN A 70 -8.673 2.450 4.913 1.00 35.03 C ATOM 1095 CD GLN A 70 -9.598 3.311 4.059 1.00 63.20 C ATOM 1096 OE1 GLN A 70 -9.637 3.041 2.764 1.00 35.44 O flip ATOM 1097 NE2 GLN A 70 -10.284 4.197 4.561 1.00 0.13 N flip ATOM 0 H GLN A 70 -8.797 -0.117 5.648 1.00 52.22 H new ATOM 0 HA GLN A 70 -7.292 1.640 7.218 1.00 11.31 H new ATOM 0 HB2 GLN A 70 -10.206 1.803 6.290 1.00 3.34 H new ATOM 0 HB3 GLN A 70 -9.267 3.168 6.861 1.00 3.34 H new ATOM 0 HG2 GLN A 70 -7.695 2.927 4.968 1.00 35.03 H new ATOM 0 HG3 GLN A 70 -8.530 1.487 4.422 1.00 35.03 H new ATOM 0 HE21 GLN A 70 -10.229 4.378 5.563 1.00 0.13 H new ATOM 0 HE22 GLN A 70 -10.909 4.752 3.976 1.00 0.13 H new ATOM 1106 N ASN A 71 -9.874 0.367 8.850 1.00 1.35 N ATOM 1107 CA ASN A 71 -10.484 0.171 10.190 1.00 24.42 C ATOM 1108 C ASN A 71 -9.485 -0.489 11.155 1.00 45.23 C ATOM 1109 O ASN A 71 -9.192 0.042 12.235 1.00 4.03 O ATOM 1110 CB ASN A 71 -11.775 -0.695 10.091 1.00 12.21 C ATOM 1111 CG ASN A 71 -12.932 0.011 9.380 1.00 10.51 C ATOM 1112 OD1 ASN A 71 -13.091 1.226 9.482 1.00 25.44 O ATOM 1113 ND2 ASN A 71 -13.745 -0.736 8.650 1.00 14.05 N ATOM 0 H ASN A 71 -10.334 -0.164 8.110 1.00 1.35 H new ATOM 0 HA ASN A 71 -10.751 1.154 10.579 1.00 24.42 H new ATOM 0 HB2 ASN A 71 -11.543 -1.619 9.561 1.00 12.21 H new ATOM 0 HB3 ASN A 71 -12.093 -0.975 11.095 1.00 12.21 H new ATOM 0 HD21 ASN A 71 -14.526 -0.306 8.155 1.00 14.05 H new ATOM 0 HD22 ASN A 71 -13.590 -1.742 8.582 1.00 14.05 H new ATOM 1120 N GLU A 72 -8.991 -1.669 10.762 1.00 13.12 N ATOM 1121 CA GLU A 72 -8.076 -2.474 11.587 1.00 22.12 C ATOM 1122 C GLU A 72 -6.729 -1.770 11.823 1.00 4.34 C ATOM 1123 O GLU A 72 -6.172 -1.878 12.906 1.00 34.41 O ATOM 1124 CB GLU A 72 -7.913 -3.877 10.961 1.00 5.21 C ATOM 1125 CG GLU A 72 -9.259 -4.612 10.816 1.00 35.42 C ATOM 1126 CD GLU A 72 -9.155 -5.980 10.138 1.00 5.13 C ATOM 1127 OE1 GLU A 72 -8.975 -6.028 8.899 1.00 31.41 O ATOM 1128 OE2 GLU A 72 -9.276 -7.010 10.835 1.00 1.44 O ATOM 0 H GLU A 72 -9.213 -2.095 9.862 1.00 13.12 H new ATOM 0 HA GLU A 72 -8.515 -2.592 12.578 1.00 22.12 H new ATOM 0 HB2 GLU A 72 -7.445 -3.783 9.981 1.00 5.21 H new ATOM 0 HB3 GLU A 72 -7.241 -4.472 11.579 1.00 5.21 H new ATOM 0 HG2 GLU A 72 -9.698 -4.741 11.805 1.00 35.42 H new ATOM 0 HG3 GLU A 72 -9.943 -3.986 10.243 1.00 35.42 H new ATOM 1135 N ALA A 73 -6.232 -1.033 10.818 1.00 32.45 N ATOM 1136 CA ALA A 73 -5.011 -0.216 10.951 1.00 74.24 C ATOM 1137 C ALA A 73 -5.192 0.856 12.037 1.00 43.30 C ATOM 1138 O ALA A 73 -4.437 0.882 13.017 1.00 54.12 O ATOM 1139 CB ALA A 73 -4.624 0.423 9.599 1.00 41.51 C ATOM 0 H ALA A 73 -6.661 -0.985 9.894 1.00 32.45 H new ATOM 0 HA ALA A 73 -4.194 -0.871 11.255 1.00 74.24 H new ATOM 0 HB1 ALA A 73 -3.721 1.020 9.724 1.00 41.51 H new ATOM 0 HB2 ALA A 73 -4.442 -0.362 8.865 1.00 41.51 H new ATOM 0 HB3 ALA A 73 -5.436 1.062 9.253 1.00 41.51 H new ATOM 1145 N LYS A 74 -6.229 1.707 11.869 1.00 42.03 N ATOM 1146 CA LYS A 74 -6.479 2.843 12.777 1.00 4.54 C ATOM 1147 C LYS A 74 -6.706 2.386 14.237 1.00 31.22 C ATOM 1148 O LYS A 74 -6.295 3.089 15.165 1.00 72.20 O ATOM 1149 CB LYS A 74 -7.662 3.741 12.284 1.00 64.43 C ATOM 1150 CG LYS A 74 -9.085 3.164 12.482 1.00 33.13 C ATOM 1151 CD LYS A 74 -10.212 4.123 12.025 1.00 31.33 C ATOM 1152 CE LYS A 74 -10.214 4.383 10.507 1.00 5.41 C ATOM 1153 NZ LYS A 74 -11.242 5.383 10.106 1.00 40.22 N ATOM 0 H LYS A 74 -6.906 1.626 11.110 1.00 42.03 H new ATOM 0 HA LYS A 74 -5.574 3.450 12.760 1.00 4.54 H new ATOM 0 HB2 LYS A 74 -7.605 4.698 12.802 1.00 64.43 H new ATOM 0 HB3 LYS A 74 -7.519 3.944 11.223 1.00 64.43 H new ATOM 0 HG2 LYS A 74 -9.169 2.229 11.929 1.00 33.13 H new ATOM 0 HG3 LYS A 74 -9.228 2.925 13.536 1.00 33.13 H new ATOM 0 HD2 LYS A 74 -11.176 3.705 12.316 1.00 31.33 H new ATOM 0 HD3 LYS A 74 -10.106 5.073 12.549 1.00 31.33 H new ATOM 0 HE2 LYS A 74 -9.229 4.735 10.200 1.00 5.41 H new ATOM 0 HE3 LYS A 74 -10.397 3.446 9.980 1.00 5.41 H new ATOM 0 HZ1 LYS A 74 -11.205 5.525 9.076 1.00 40.22 H new ATOM 0 HZ2 LYS A 74 -12.186 5.038 10.375 1.00 40.22 H new ATOM 0 HZ3 LYS A 74 -11.054 6.286 10.587 1.00 40.22 H new ATOM 1167 N LYS A 75 -7.328 1.199 14.445 1.00 22.11 N ATOM 1168 CA LYS A 75 -7.635 0.709 15.811 1.00 64.21 C ATOM 1169 C LYS A 75 -6.385 0.085 16.483 1.00 11.44 C ATOM 1170 O LYS A 75 -6.286 0.083 17.716 1.00 1.24 O ATOM 1171 CB LYS A 75 -8.825 -0.296 15.797 1.00 60.32 C ATOM 1172 CG LYS A 75 -8.510 -1.693 15.221 1.00 34.43 C ATOM 1173 CD LYS A 75 -9.724 -2.655 15.239 1.00 2.32 C ATOM 1174 CE LYS A 75 -10.887 -2.184 14.345 1.00 0.04 C ATOM 1175 NZ LYS A 75 -12.012 -3.154 14.340 1.00 71.40 N ATOM 0 H LYS A 75 -7.623 0.572 13.696 1.00 22.11 H new ATOM 0 HA LYS A 75 -7.934 1.571 16.407 1.00 64.21 H new ATOM 0 HB2 LYS A 75 -9.188 -0.417 16.818 1.00 60.32 H new ATOM 0 HB3 LYS A 75 -9.639 0.141 15.219 1.00 60.32 H new ATOM 0 HG2 LYS A 75 -8.158 -1.584 14.195 1.00 34.43 H new ATOM 0 HG3 LYS A 75 -7.695 -2.138 15.792 1.00 34.43 H new ATOM 0 HD2 LYS A 75 -9.401 -3.643 14.912 1.00 2.32 H new ATOM 0 HD3 LYS A 75 -10.081 -2.759 16.263 1.00 2.32 H new ATOM 0 HE2 LYS A 75 -11.245 -1.216 14.695 1.00 0.04 H new ATOM 0 HE3 LYS A 75 -10.527 -2.041 13.326 1.00 0.04 H new ATOM 0 HZ1 LYS A 75 -12.773 -2.799 13.727 1.00 71.40 H new ATOM 0 HZ2 LYS A 75 -11.678 -4.071 13.982 1.00 71.40 H new ATOM 0 HZ3 LYS A 75 -12.374 -3.271 15.308 1.00 71.40 H new ATOM 1189 N GLU A 76 -5.432 -0.444 15.672 1.00 5.21 N ATOM 1190 CA GLU A 76 -4.166 -1.025 16.194 1.00 63.23 C ATOM 1191 C GLU A 76 -3.077 0.053 16.403 1.00 62.13 C ATOM 1192 O GLU A 76 -2.018 -0.241 16.973 1.00 2.23 O ATOM 1193 CB GLU A 76 -3.619 -2.140 15.254 1.00 62.33 C ATOM 1194 CG GLU A 76 -4.546 -3.355 15.051 1.00 70.12 C ATOM 1195 CD GLU A 76 -5.065 -3.974 16.357 1.00 4.14 C ATOM 1196 OE1 GLU A 76 -4.284 -4.640 17.067 1.00 31.24 O ATOM 1197 OE2 GLU A 76 -6.262 -3.812 16.672 1.00 62.02 O ATOM 0 H GLU A 76 -5.516 -0.480 14.656 1.00 5.21 H new ATOM 0 HA GLU A 76 -4.407 -1.464 17.162 1.00 63.23 H new ATOM 0 HB2 GLU A 76 -3.410 -1.698 14.280 1.00 62.33 H new ATOM 0 HB3 GLU A 76 -2.669 -2.494 15.654 1.00 62.33 H new ATOM 0 HG2 GLU A 76 -5.398 -3.051 14.442 1.00 70.12 H new ATOM 0 HG3 GLU A 76 -4.009 -4.118 14.488 1.00 70.12 H new ATOM 1204 N GLY A 77 -3.341 1.289 15.943 1.00 42.43 N ATOM 1205 CA GLY A 77 -2.357 2.380 16.007 1.00 31.14 C ATOM 1206 C GLY A 77 -1.411 2.405 14.812 1.00 10.42 C ATOM 1207 O GLY A 77 -0.399 3.117 14.825 1.00 41.21 O ATOM 0 H GLY A 77 -4.231 1.556 15.522 1.00 42.43 H new ATOM 0 HA2 GLY A 77 -2.883 3.333 16.066 1.00 31.14 H new ATOM 0 HA3 GLY A 77 -1.773 2.281 16.922 1.00 31.14 H new ATOM 1211 N VAL A 78 -1.739 1.615 13.782 1.00 42.52 N ATOM 1212 CA VAL A 78 -1.023 1.624 12.506 1.00 54.33 C ATOM 1213 C VAL A 78 -1.539 2.807 11.668 1.00 43.24 C ATOM 1214 O VAL A 78 -2.740 2.892 11.379 1.00 24.34 O ATOM 1215 CB VAL A 78 -1.225 0.274 11.726 1.00 30.32 C ATOM 1216 CG1 VAL A 78 -0.494 0.289 10.357 1.00 62.11 C ATOM 1217 CG2 VAL A 78 -0.784 -0.938 12.588 1.00 0.33 C ATOM 0 H VAL A 78 -2.512 0.950 13.813 1.00 42.52 H new ATOM 0 HA VAL A 78 0.045 1.732 12.695 1.00 54.33 H new ATOM 0 HB VAL A 78 -2.290 0.169 11.521 1.00 30.32 H new ATOM 0 HG11 VAL A 78 -0.657 -0.661 9.847 1.00 62.11 H new ATOM 0 HG12 VAL A 78 -0.885 1.101 9.744 1.00 62.11 H new ATOM 0 HG13 VAL A 78 0.574 0.437 10.516 1.00 62.11 H new ATOM 0 HG21 VAL A 78 -0.934 -1.859 12.025 1.00 0.33 H new ATOM 0 HG22 VAL A 78 0.271 -0.837 12.845 1.00 0.33 H new ATOM 0 HG23 VAL A 78 -1.378 -0.970 13.501 1.00 0.33 H new ATOM 1227 N SER A 79 -0.637 3.730 11.324 1.00 54.45 N ATOM 1228 CA SER A 79 -0.960 4.875 10.464 1.00 71.12 C ATOM 1229 C SER A 79 -1.018 4.405 8.997 1.00 33.11 C ATOM 1230 O SER A 79 -0.447 3.360 8.653 1.00 13.53 O ATOM 1231 CB SER A 79 0.099 5.986 10.652 1.00 72.45 C ATOM 1232 OG SER A 79 0.237 6.351 12.013 1.00 20.52 O ATOM 0 H SER A 79 0.335 3.706 11.632 1.00 54.45 H new ATOM 0 HA SER A 79 -1.932 5.286 10.738 1.00 71.12 H new ATOM 0 HB2 SER A 79 1.059 5.642 10.268 1.00 72.45 H new ATOM 0 HB3 SER A 79 -0.184 6.861 10.067 1.00 72.45 H new ATOM 0 HG SER A 79 0.915 7.054 12.096 1.00 20.52 H new ATOM 1238 N TYR A 80 -1.708 5.169 8.141 1.00 4.44 N ATOM 1239 CA TYR A 80 -1.832 4.853 6.708 1.00 3.04 C ATOM 1240 C TYR A 80 -2.125 6.136 5.913 1.00 32.13 C ATOM 1241 O TYR A 80 -2.808 7.038 6.403 1.00 13.11 O ATOM 1242 CB TYR A 80 -2.921 3.762 6.467 1.00 74.40 C ATOM 1243 CG TYR A 80 -4.333 4.138 6.958 1.00 23.23 C ATOM 1244 CD1 TYR A 80 -4.709 3.958 8.297 1.00 74.24 C ATOM 1245 CD2 TYR A 80 -5.279 4.686 6.087 1.00 21.14 C ATOM 1246 CE1 TYR A 80 -5.966 4.310 8.738 1.00 61.25 C ATOM 1247 CE2 TYR A 80 -6.535 5.037 6.528 1.00 31.42 C ATOM 1248 CZ TYR A 80 -6.876 4.850 7.851 1.00 24.33 C ATOM 1249 OH TYR A 80 -8.126 5.205 8.285 1.00 33.14 O ATOM 0 H TYR A 80 -2.195 6.021 8.418 1.00 4.44 H new ATOM 0 HA TYR A 80 -0.887 4.442 6.354 1.00 3.04 H new ATOM 0 HB2 TYR A 80 -2.968 3.546 5.400 1.00 74.40 H new ATOM 0 HB3 TYR A 80 -2.611 2.843 6.965 1.00 74.40 H new ATOM 0 HD1 TYR A 80 -4.001 3.536 8.995 1.00 74.24 H new ATOM 0 HD2 TYR A 80 -5.020 4.837 5.049 1.00 21.14 H new ATOM 0 HE1 TYR A 80 -6.238 4.164 9.773 1.00 61.25 H new ATOM 0 HE2 TYR A 80 -7.252 5.458 5.839 1.00 31.42 H new ATOM 0 HH TYR A 80 -8.641 5.570 7.535 1.00 33.14 H new ATOM 1259 N ASP A 81 -1.573 6.210 4.699 1.00 21.31 N ATOM 1260 CA ASP A 81 -1.748 7.334 3.774 1.00 60.14 C ATOM 1261 C ASP A 81 -2.443 6.809 2.511 1.00 33.54 C ATOM 1262 O ASP A 81 -1.844 6.038 1.755 1.00 22.11 O ATOM 1263 CB ASP A 81 -0.364 7.947 3.423 1.00 2.42 C ATOM 1264 CG ASP A 81 -0.469 9.265 2.634 1.00 14.22 C ATOM 1265 OD1 ASP A 81 -0.527 10.338 3.273 1.00 13.21 O ATOM 1266 OD2 ASP A 81 -0.499 9.241 1.381 1.00 72.35 O ATOM 0 H ASP A 81 -0.978 5.472 4.323 1.00 21.31 H new ATOM 0 HA ASP A 81 -2.357 8.114 4.231 1.00 60.14 H new ATOM 0 HB2 ASP A 81 0.192 8.125 4.344 1.00 2.42 H new ATOM 0 HB3 ASP A 81 0.208 7.226 2.840 1.00 2.42 H new ATOM 1271 N VAL A 82 -3.696 7.225 2.285 1.00 42.22 N ATOM 1272 CA VAL A 82 -4.505 6.730 1.162 1.00 24.14 C ATOM 1273 C VAL A 82 -4.207 7.561 -0.099 1.00 62.50 C ATOM 1274 O VAL A 82 -4.358 8.789 -0.103 1.00 4.03 O ATOM 1275 CB VAL A 82 -6.048 6.775 1.481 1.00 4.31 C ATOM 1276 CG1 VAL A 82 -6.887 6.257 0.283 1.00 70.43 C ATOM 1277 CG2 VAL A 82 -6.369 5.974 2.765 1.00 62.01 C ATOM 0 H VAL A 82 -4.175 7.909 2.870 1.00 42.22 H new ATOM 0 HA VAL A 82 -4.235 5.688 0.993 1.00 24.14 H new ATOM 0 HB VAL A 82 -6.321 7.816 1.652 1.00 4.31 H new ATOM 0 HG11 VAL A 82 -7.947 6.301 0.535 1.00 70.43 H new ATOM 0 HG12 VAL A 82 -6.696 6.879 -0.591 1.00 70.43 H new ATOM 0 HG13 VAL A 82 -6.609 5.226 0.063 1.00 70.43 H new ATOM 0 HG21 VAL A 82 -7.440 6.020 2.964 1.00 62.01 H new ATOM 0 HG22 VAL A 82 -6.069 4.935 2.630 1.00 62.01 H new ATOM 0 HG23 VAL A 82 -5.825 6.402 3.607 1.00 62.01 H new ATOM 1287 N LEU A 83 -3.770 6.861 -1.145 1.00 14.04 N ATOM 1288 CA LEU A 83 -3.479 7.424 -2.464 1.00 45.35 C ATOM 1289 C LEU A 83 -4.418 6.778 -3.488 1.00 11.13 C ATOM 1290 O LEU A 83 -4.545 5.555 -3.514 1.00 54.20 O ATOM 1291 CB LEU A 83 -2.006 7.127 -2.834 1.00 14.10 C ATOM 1292 CG LEU A 83 -1.548 7.571 -4.263 1.00 64.34 C ATOM 1293 CD1 LEU A 83 -1.573 9.110 -4.425 1.00 31.24 C ATOM 1294 CD2 LEU A 83 -0.169 6.981 -4.598 1.00 24.01 C ATOM 0 H LEU A 83 -3.603 5.856 -1.097 1.00 14.04 H new ATOM 0 HA LEU A 83 -3.631 8.503 -2.457 1.00 45.35 H new ATOM 0 HB2 LEU A 83 -1.364 7.616 -2.101 1.00 14.10 H new ATOM 0 HB3 LEU A 83 -1.839 6.054 -2.739 1.00 14.10 H new ATOM 0 HG LEU A 83 -2.264 7.173 -4.982 1.00 64.34 H new ATOM 0 HD11 LEU A 83 -1.248 9.375 -5.431 1.00 31.24 H new ATOM 0 HD12 LEU A 83 -2.587 9.477 -4.263 1.00 31.24 H new ATOM 0 HD13 LEU A 83 -0.902 9.564 -3.696 1.00 31.24 H new ATOM 0 HD21 LEU A 83 0.131 7.302 -5.596 1.00 24.01 H new ATOM 0 HD22 LEU A 83 0.563 7.330 -3.869 1.00 24.01 H new ATOM 0 HD23 LEU A 83 -0.222 5.893 -4.567 1.00 24.01 H new ATOM 1306 N LYS A 84 -5.100 7.602 -4.295 1.00 3.14 N ATOM 1307 CA LYS A 84 -5.913 7.135 -5.434 1.00 23.22 C ATOM 1308 C LYS A 84 -5.426 7.832 -6.710 1.00 23.23 C ATOM 1309 O LYS A 84 -5.639 9.036 -6.877 1.00 61.33 O ATOM 1310 CB LYS A 84 -7.416 7.423 -5.193 1.00 13.45 C ATOM 1311 CG LYS A 84 -8.026 6.666 -3.996 1.00 50.22 C ATOM 1312 CD LYS A 84 -9.490 7.067 -3.735 1.00 10.01 C ATOM 1313 CE LYS A 84 -10.114 6.308 -2.561 1.00 23.52 C ATOM 1314 NZ LYS A 84 -10.225 4.857 -2.846 1.00 53.43 N ATOM 0 H LYS A 84 -5.106 8.615 -4.179 1.00 3.14 H new ATOM 0 HA LYS A 84 -5.799 6.056 -5.542 1.00 23.22 H new ATOM 0 HB2 LYS A 84 -7.548 8.493 -5.035 1.00 13.45 H new ATOM 0 HB3 LYS A 84 -7.972 7.163 -6.094 1.00 13.45 H new ATOM 0 HG2 LYS A 84 -7.973 5.593 -4.182 1.00 50.22 H new ATOM 0 HG3 LYS A 84 -7.433 6.864 -3.103 1.00 50.22 H new ATOM 0 HD2 LYS A 84 -9.538 8.138 -3.536 1.00 10.01 H new ATOM 0 HD3 LYS A 84 -10.078 6.883 -4.634 1.00 10.01 H new ATOM 0 HE2 LYS A 84 -9.509 6.458 -1.667 1.00 23.52 H new ATOM 0 HE3 LYS A 84 -11.103 6.714 -2.349 1.00 23.52 H new ATOM 0 HZ1 LYS A 84 -10.728 4.388 -2.066 1.00 53.43 H new ATOM 0 HZ2 LYS A 84 -10.751 4.716 -3.732 1.00 53.43 H new ATOM 0 HZ3 LYS A 84 -9.273 4.448 -2.940 1.00 53.43 H new ATOM 1328 N SER A 85 -4.738 7.073 -7.578 1.00 71.44 N ATOM 1329 CA SER A 85 -4.253 7.557 -8.884 1.00 52.15 C ATOM 1330 C SER A 85 -4.159 6.380 -9.871 1.00 23.20 C ATOM 1331 O SER A 85 -3.721 5.291 -9.499 1.00 64.44 O ATOM 1332 CB SER A 85 -2.870 8.262 -8.754 1.00 33.12 C ATOM 1333 OG SER A 85 -2.924 9.382 -7.886 1.00 62.44 O ATOM 0 H SER A 85 -4.500 6.099 -7.393 1.00 71.44 H new ATOM 0 HA SER A 85 -4.965 8.292 -9.260 1.00 52.15 H new ATOM 0 HB2 SER A 85 -2.134 7.550 -8.381 1.00 33.12 H new ATOM 0 HB3 SER A 85 -2.533 8.583 -9.740 1.00 33.12 H new ATOM 0 HG SER A 85 -3.841 9.501 -7.563 1.00 62.44 H new ATOM 1339 N THR A 86 -4.584 6.608 -11.121 1.00 2.43 N ATOM 1340 CA THR A 86 -4.453 5.639 -12.219 1.00 11.22 C ATOM 1341 C THR A 86 -3.358 6.152 -13.166 1.00 2.14 C ATOM 1342 O THR A 86 -3.649 6.878 -14.127 1.00 51.44 O ATOM 1343 CB THR A 86 -5.815 5.452 -12.982 1.00 34.33 C ATOM 1344 OG1 THR A 86 -6.329 6.732 -13.373 1.00 21.14 O ATOM 1345 CG2 THR A 86 -6.876 4.717 -12.139 1.00 52.21 C ATOM 0 H THR A 86 -5.033 7.480 -11.402 1.00 2.43 H new ATOM 0 HA THR A 86 -4.182 4.661 -11.822 1.00 11.22 H new ATOM 0 HB THR A 86 -5.607 4.836 -13.857 1.00 34.33 H new ATOM 0 HG1 THR A 86 -5.611 7.264 -13.775 1.00 21.14 H new ATOM 0 HG21 THR A 86 -7.795 4.617 -12.717 1.00 52.21 H new ATOM 0 HG22 THR A 86 -6.506 3.727 -11.871 1.00 52.21 H new ATOM 0 HG23 THR A 86 -7.078 5.286 -11.232 1.00 52.21 H new ATOM 1353 N ASP A 87 -2.088 5.810 -12.863 1.00 32.55 N ATOM 1354 CA ASP A 87 -0.926 6.365 -13.579 1.00 1.33 C ATOM 1355 C ASP A 87 0.369 5.648 -13.116 1.00 71.42 C ATOM 1356 O ASP A 87 0.711 5.718 -11.926 1.00 4.23 O ATOM 1357 CB ASP A 87 -0.815 7.898 -13.344 1.00 22.12 C ATOM 1358 CG ASP A 87 0.217 8.562 -14.261 1.00 22.30 C ATOM 1359 OD1 ASP A 87 1.416 8.507 -13.958 1.00 32.14 O ATOM 1360 OD2 ASP A 87 -0.167 9.116 -15.310 1.00 3.14 O ATOM 0 H ASP A 87 -1.844 5.150 -12.125 1.00 32.55 H new ATOM 0 HA ASP A 87 -1.060 6.197 -14.648 1.00 1.33 H new ATOM 0 HB2 ASP A 87 -1.790 8.358 -13.507 1.00 22.12 H new ATOM 0 HB3 ASP A 87 -0.545 8.084 -12.305 1.00 22.12 H new ATOM 1365 N PRO A 88 1.119 4.974 -14.050 1.00 74.15 N ATOM 1366 CA PRO A 88 2.277 4.106 -13.695 1.00 21.52 C ATOM 1367 C PRO A 88 3.491 4.870 -13.098 1.00 32.52 C ATOM 1368 O PRO A 88 4.191 4.335 -12.233 1.00 53.12 O ATOM 1369 CB PRO A 88 2.630 3.410 -15.039 1.00 44.32 C ATOM 1370 CG PRO A 88 2.142 4.358 -16.097 1.00 34.12 C ATOM 1371 CD PRO A 88 0.889 4.995 -15.527 1.00 31.51 C ATOM 0 HA PRO A 88 2.020 3.410 -12.896 1.00 21.52 H new ATOM 0 HB2 PRO A 88 3.703 3.237 -15.126 1.00 44.32 H new ATOM 0 HB3 PRO A 88 2.143 2.438 -15.122 1.00 44.32 H new ATOM 0 HG2 PRO A 88 2.896 5.112 -16.326 1.00 34.12 H new ATOM 0 HG3 PRO A 88 1.926 3.831 -17.026 1.00 34.12 H new ATOM 0 HD2 PRO A 88 0.753 6.011 -15.896 1.00 31.51 H new ATOM 0 HD3 PRO A 88 -0.005 4.434 -15.801 1.00 31.51 H new ATOM 1379 N GLU A 89 3.727 6.119 -13.547 1.00 3.14 N ATOM 1380 CA GLU A 89 4.903 6.911 -13.096 1.00 44.44 C ATOM 1381 C GLU A 89 4.570 7.714 -11.821 1.00 24.33 C ATOM 1382 O GLU A 89 5.465 8.009 -11.019 1.00 71.34 O ATOM 1383 CB GLU A 89 5.444 7.822 -14.232 1.00 10.31 C ATOM 1384 CG GLU A 89 4.452 8.862 -14.774 1.00 73.53 C ATOM 1385 CD GLU A 89 4.963 9.604 -16.019 1.00 10.34 C ATOM 1386 OE1 GLU A 89 4.750 9.106 -17.151 1.00 0.22 O ATOM 1387 OE2 GLU A 89 5.587 10.680 -15.878 1.00 52.22 O ATOM 0 H GLU A 89 3.128 6.603 -14.216 1.00 3.14 H new ATOM 0 HA GLU A 89 5.702 6.214 -12.843 1.00 44.44 H new ATOM 0 HB2 GLU A 89 6.327 8.345 -13.865 1.00 10.31 H new ATOM 0 HB3 GLU A 89 5.768 7.189 -15.058 1.00 10.31 H new ATOM 0 HG2 GLU A 89 3.513 8.365 -15.017 1.00 73.53 H new ATOM 0 HG3 GLU A 89 4.235 9.589 -13.991 1.00 73.53 H new ATOM 1394 N GLU A 90 3.269 8.044 -11.643 1.00 33.53 N ATOM 1395 CA GLU A 90 2.771 8.783 -10.465 1.00 55.51 C ATOM 1396 C GLU A 90 2.856 7.908 -9.214 1.00 41.03 C ATOM 1397 O GLU A 90 3.469 8.295 -8.223 1.00 73.24 O ATOM 1398 CB GLU A 90 1.302 9.242 -10.670 1.00 72.34 C ATOM 1399 CG GLU A 90 0.631 9.930 -9.446 1.00 1.10 C ATOM 1400 CD GLU A 90 1.162 11.350 -9.132 1.00 71.22 C ATOM 1401 OE1 GLU A 90 2.352 11.502 -8.795 1.00 1.51 O ATOM 1402 OE2 GLU A 90 0.379 12.325 -9.203 1.00 15.14 O ATOM 0 H GLU A 90 2.538 7.804 -12.313 1.00 33.53 H new ATOM 0 HA GLU A 90 3.399 9.665 -10.339 1.00 55.51 H new ATOM 0 HB2 GLU A 90 1.271 9.932 -11.513 1.00 72.34 H new ATOM 0 HB3 GLU A 90 0.705 8.373 -10.947 1.00 72.34 H new ATOM 0 HG2 GLU A 90 -0.443 9.989 -9.623 1.00 1.10 H new ATOM 0 HG3 GLU A 90 0.775 9.300 -8.568 1.00 1.10 H new ATOM 1409 N LEU A 91 2.258 6.712 -9.298 1.00 22.15 N ATOM 1410 CA LEU A 91 2.168 5.792 -8.154 1.00 5.25 C ATOM 1411 C LEU A 91 3.582 5.413 -7.636 1.00 62.34 C ATOM 1412 O LEU A 91 3.783 5.289 -6.429 1.00 25.24 O ATOM 1413 CB LEU A 91 1.355 4.528 -8.537 1.00 43.03 C ATOM 1414 CG LEU A 91 -0.149 4.741 -8.901 1.00 54.41 C ATOM 1415 CD1 LEU A 91 -0.815 3.420 -9.350 1.00 44.45 C ATOM 1416 CD2 LEU A 91 -0.915 5.379 -7.730 1.00 35.35 C ATOM 0 H LEU A 91 1.827 6.357 -10.151 1.00 22.15 H new ATOM 0 HA LEU A 91 1.644 6.300 -7.344 1.00 5.25 H new ATOM 0 HB2 LEU A 91 1.846 4.053 -9.386 1.00 43.03 H new ATOM 0 HB3 LEU A 91 1.407 3.826 -7.705 1.00 43.03 H new ATOM 0 HG LEU A 91 -0.190 5.431 -9.744 1.00 54.41 H new ATOM 0 HD11 LEU A 91 -1.861 3.605 -9.596 1.00 44.45 H new ATOM 0 HD12 LEU A 91 -0.299 3.033 -10.228 1.00 44.45 H new ATOM 0 HD13 LEU A 91 -0.755 2.690 -8.543 1.00 44.45 H new ATOM 0 HD21 LEU A 91 -1.959 5.516 -8.010 1.00 35.35 H new ATOM 0 HD22 LEU A 91 -0.856 4.727 -6.858 1.00 35.35 H new ATOM 0 HD23 LEU A 91 -0.474 6.346 -7.490 1.00 35.35 H new ATOM 1428 N THR A 92 4.559 5.306 -8.568 1.00 34.52 N ATOM 1429 CA THR A 92 5.956 4.930 -8.255 1.00 52.12 C ATOM 1430 C THR A 92 6.709 6.073 -7.529 1.00 32.02 C ATOM 1431 O THR A 92 7.441 5.822 -6.557 1.00 30.22 O ATOM 1432 CB THR A 92 6.727 4.519 -9.554 1.00 30.33 C ATOM 1433 OG1 THR A 92 5.991 3.504 -10.248 1.00 61.04 O ATOM 1434 CG2 THR A 92 8.144 3.985 -9.262 1.00 64.22 C ATOM 0 H THR A 92 4.399 5.479 -9.560 1.00 34.52 H new ATOM 0 HA THR A 92 5.915 4.073 -7.582 1.00 52.12 H new ATOM 0 HB THR A 92 6.826 5.419 -10.161 1.00 30.33 H new ATOM 0 HG1 THR A 92 5.401 3.922 -10.909 1.00 61.04 H new ATOM 0 HG21 THR A 92 8.632 3.716 -10.199 1.00 64.22 H new ATOM 0 HG22 THR A 92 8.727 4.756 -8.758 1.00 64.22 H new ATOM 0 HG23 THR A 92 8.077 3.105 -8.622 1.00 64.22 H new ATOM 1442 N GLN A 93 6.521 7.331 -7.997 1.00 10.03 N ATOM 1443 CA GLN A 93 7.192 8.505 -7.390 1.00 51.14 C ATOM 1444 C GLN A 93 6.584 8.832 -6.018 1.00 43.14 C ATOM 1445 O GLN A 93 7.242 9.452 -5.181 1.00 2.31 O ATOM 1446 CB GLN A 93 7.159 9.745 -8.324 1.00 43.51 C ATOM 1447 CG GLN A 93 5.758 10.287 -8.631 1.00 44.33 C ATOM 1448 CD GLN A 93 5.764 11.444 -9.617 1.00 73.13 C ATOM 1449 OE1 GLN A 93 5.798 12.606 -9.231 1.00 32.32 O ATOM 1450 NE2 GLN A 93 5.754 11.131 -10.903 1.00 23.42 N ATOM 0 H GLN A 93 5.916 7.557 -8.786 1.00 10.03 H new ATOM 0 HA GLN A 93 8.240 8.241 -7.248 1.00 51.14 H new ATOM 0 HB2 GLN A 93 7.748 10.541 -7.868 1.00 43.51 H new ATOM 0 HB3 GLN A 93 7.646 9.486 -9.264 1.00 43.51 H new ATOM 0 HG2 GLN A 93 5.144 9.481 -9.031 1.00 44.33 H new ATOM 0 HG3 GLN A 93 5.290 10.613 -7.702 1.00 44.33 H new ATOM 0 HE21 GLN A 93 5.725 10.152 -11.190 1.00 23.42 H new ATOM 0 HE22 GLN A 93 5.775 11.868 -11.608 1.00 23.42 H new ATOM 1459 N ARG A 94 5.331 8.398 -5.793 1.00 63.11 N ATOM 1460 CA ARG A 94 4.683 8.518 -4.484 1.00 23.01 C ATOM 1461 C ARG A 94 5.301 7.517 -3.486 1.00 24.25 C ATOM 1462 O ARG A 94 5.476 7.847 -2.307 1.00 14.03 O ATOM 1463 CB ARG A 94 3.152 8.340 -4.604 1.00 53.31 C ATOM 1464 CG ARG A 94 2.452 9.418 -5.475 1.00 20.44 C ATOM 1465 CD ARG A 94 2.650 10.853 -4.952 1.00 53.23 C ATOM 1466 NE ARG A 94 2.114 11.853 -5.891 1.00 11.14 N ATOM 1467 CZ ARG A 94 2.372 13.171 -5.857 1.00 62.44 C ATOM 1468 NH1 ARG A 94 3.164 13.698 -4.923 1.00 52.11 N ATOM 1469 NH2 ARG A 94 1.849 13.956 -6.791 1.00 54.44 N ATOM 0 H ARG A 94 4.749 7.960 -6.507 1.00 63.11 H new ATOM 0 HA ARG A 94 4.858 9.523 -4.099 1.00 23.01 H new ATOM 0 HB2 ARG A 94 2.944 7.357 -5.026 1.00 53.31 H new ATOM 0 HB3 ARG A 94 2.716 8.357 -3.605 1.00 53.31 H new ATOM 0 HG2 ARG A 94 2.834 9.355 -6.494 1.00 20.44 H new ATOM 0 HG3 ARG A 94 1.385 9.200 -5.521 1.00 20.44 H new ATOM 0 HD2 ARG A 94 2.157 10.960 -3.986 1.00 53.23 H new ATOM 0 HD3 ARG A 94 3.712 11.038 -4.790 1.00 53.23 H new ATOM 0 HE ARG A 94 1.495 11.517 -6.629 1.00 11.14 H new ATOM 0 HH11 ARG A 94 3.588 13.098 -4.216 1.00 52.11 H new ATOM 0 HH12 ARG A 94 3.346 14.702 -4.916 1.00 52.11 H new ATOM 0 HH21 ARG A 94 1.260 13.557 -7.522 1.00 54.44 H new ATOM 0 HH22 ARG A 94 2.036 14.959 -6.778 1.00 54.44 H new ATOM 1483 N VAL A 95 5.660 6.311 -3.981 1.00 32.41 N ATOM 1484 CA VAL A 95 6.374 5.292 -3.180 1.00 71.14 C ATOM 1485 C VAL A 95 7.750 5.832 -2.738 1.00 32.11 C ATOM 1486 O VAL A 95 8.111 5.728 -1.558 1.00 34.30 O ATOM 1487 CB VAL A 95 6.550 3.931 -3.968 1.00 70.31 C ATOM 1488 CG1 VAL A 95 7.379 2.883 -3.170 1.00 64.14 C ATOM 1489 CG2 VAL A 95 5.175 3.346 -4.371 1.00 43.43 C ATOM 0 H VAL A 95 5.465 6.019 -4.939 1.00 32.41 H new ATOM 0 HA VAL A 95 5.765 5.083 -2.300 1.00 71.14 H new ATOM 0 HB VAL A 95 7.113 4.162 -4.872 1.00 70.31 H new ATOM 0 HG11 VAL A 95 7.470 1.968 -3.756 1.00 64.14 H new ATOM 0 HG12 VAL A 95 8.372 3.283 -2.966 1.00 64.14 H new ATOM 0 HG13 VAL A 95 6.877 2.662 -2.228 1.00 64.14 H new ATOM 0 HG21 VAL A 95 5.322 2.411 -4.911 1.00 43.43 H new ATOM 0 HG22 VAL A 95 4.583 3.159 -3.475 1.00 43.43 H new ATOM 0 HG23 VAL A 95 4.651 4.056 -5.011 1.00 43.43 H new ATOM 1499 N ARG A 96 8.488 6.446 -3.689 1.00 11.05 N ATOM 1500 CA ARG A 96 9.866 6.909 -3.434 1.00 4.20 C ATOM 1501 C ARG A 96 9.897 8.088 -2.432 1.00 32.24 C ATOM 1502 O ARG A 96 10.733 8.100 -1.535 1.00 20.44 O ATOM 1503 CB ARG A 96 10.624 7.283 -4.751 1.00 22.04 C ATOM 1504 CG ARG A 96 10.275 8.656 -5.356 1.00 41.21 C ATOM 1505 CD ARG A 96 11.054 8.991 -6.629 1.00 62.21 C ATOM 1506 NE ARG A 96 10.711 10.335 -7.123 1.00 41.12 N ATOM 1507 CZ ARG A 96 11.368 11.006 -8.080 1.00 42.04 C ATOM 1508 NH1 ARG A 96 12.430 10.486 -8.689 1.00 12.53 N ATOM 1509 NH2 ARG A 96 10.941 12.206 -8.431 1.00 21.25 N ATOM 0 H ARG A 96 8.153 6.631 -4.635 1.00 11.05 H new ATOM 0 HA ARG A 96 10.392 6.067 -2.984 1.00 4.20 H new ATOM 0 HB2 ARG A 96 11.695 7.256 -4.552 1.00 22.04 H new ATOM 0 HB3 ARG A 96 10.419 6.515 -5.497 1.00 22.04 H new ATOM 0 HG2 ARG A 96 9.208 8.683 -5.577 1.00 41.21 H new ATOM 0 HG3 ARG A 96 10.466 9.429 -4.611 1.00 41.21 H new ATOM 0 HD2 ARG A 96 12.124 8.936 -6.429 1.00 62.21 H new ATOM 0 HD3 ARG A 96 10.835 8.251 -7.398 1.00 62.21 H new ATOM 0 HE ARG A 96 9.904 10.795 -6.701 1.00 41.12 H new ATOM 0 HH11 ARG A 96 12.762 9.557 -8.431 1.00 12.53 H new ATOM 0 HH12 ARG A 96 12.913 11.017 -9.414 1.00 12.53 H new ATOM 0 HH21 ARG A 96 10.122 12.609 -7.976 1.00 21.25 H new ATOM 0 HH22 ARG A 96 11.430 12.729 -9.157 1.00 21.25 H new ATOM 1523 N GLU A 97 8.972 9.064 -2.586 1.00 10.45 N ATOM 1524 CA GLU A 97 8.939 10.277 -1.733 1.00 73.41 C ATOM 1525 C GLU A 97 8.482 9.918 -0.304 1.00 44.33 C ATOM 1526 O GLU A 97 8.952 10.519 0.673 1.00 31.23 O ATOM 1527 CB GLU A 97 8.020 11.365 -2.350 1.00 34.21 C ATOM 1528 CG GLU A 97 6.535 10.970 -2.430 1.00 42.53 C ATOM 1529 CD GLU A 97 5.663 11.969 -3.197 1.00 64.51 C ATOM 1530 OE1 GLU A 97 5.890 12.154 -4.412 1.00 53.34 O ATOM 1531 OE2 GLU A 97 4.738 12.557 -2.604 1.00 31.12 O ATOM 0 H GLU A 97 8.238 9.036 -3.293 1.00 10.45 H new ATOM 0 HA GLU A 97 9.949 10.684 -1.679 1.00 73.41 H new ATOM 0 HB2 GLU A 97 8.110 12.277 -1.760 1.00 34.21 H new ATOM 0 HB3 GLU A 97 8.376 11.598 -3.353 1.00 34.21 H new ATOM 0 HG2 GLU A 97 6.455 9.993 -2.907 1.00 42.53 H new ATOM 0 HG3 GLU A 97 6.143 10.864 -1.418 1.00 42.53 H new ATOM 1538 N PHE A 98 7.575 8.921 -0.206 1.00 71.11 N ATOM 1539 CA PHE A 98 7.081 8.390 1.070 1.00 31.33 C ATOM 1540 C PHE A 98 8.237 7.741 1.856 1.00 61.32 C ATOM 1541 O PHE A 98 8.459 8.052 3.032 1.00 12.31 O ATOM 1542 CB PHE A 98 5.958 7.362 0.776 1.00 31.53 C ATOM 1543 CG PHE A 98 5.336 6.731 2.010 1.00 0.12 C ATOM 1544 CD1 PHE A 98 4.367 7.413 2.741 1.00 1.42 C ATOM 1545 CD2 PHE A 98 5.716 5.459 2.440 1.00 34.55 C ATOM 1546 CE1 PHE A 98 3.807 6.849 3.860 1.00 71.25 C ATOM 1547 CE2 PHE A 98 5.152 4.903 3.558 1.00 51.51 C ATOM 1548 CZ PHE A 98 4.197 5.594 4.267 1.00 62.45 C ATOM 0 H PHE A 98 7.166 8.463 -1.021 1.00 71.11 H new ATOM 0 HA PHE A 98 6.677 9.196 1.683 1.00 31.33 H new ATOM 0 HB2 PHE A 98 5.173 7.856 0.202 1.00 31.53 H new ATOM 0 HB3 PHE A 98 6.364 6.571 0.146 1.00 31.53 H new ATOM 0 HD1 PHE A 98 4.053 8.396 2.424 1.00 1.42 H new ATOM 0 HD2 PHE A 98 6.462 4.908 1.886 1.00 34.55 H new ATOM 0 HE1 PHE A 98 3.060 7.391 4.421 1.00 71.25 H new ATOM 0 HE2 PHE A 98 5.458 3.920 3.883 1.00 51.51 H new ATOM 0 HZ PHE A 98 3.752 5.150 5.145 1.00 62.45 H new ATOM 1558 N LEU A 99 8.981 6.860 1.162 1.00 21.21 N ATOM 1559 CA LEU A 99 10.131 6.138 1.736 1.00 13.13 C ATOM 1560 C LEU A 99 11.361 7.057 1.883 1.00 61.14 C ATOM 1561 O LEU A 99 12.332 6.687 2.539 1.00 70.21 O ATOM 1562 CB LEU A 99 10.479 4.896 0.866 1.00 44.05 C ATOM 1563 CG LEU A 99 9.397 3.770 0.815 1.00 13.33 C ATOM 1564 CD1 LEU A 99 9.847 2.605 -0.091 1.00 71.32 C ATOM 1565 CD2 LEU A 99 9.033 3.274 2.237 1.00 5.13 C ATOM 0 H LEU A 99 8.801 6.628 0.185 1.00 21.21 H new ATOM 0 HA LEU A 99 9.849 5.802 2.734 1.00 13.13 H new ATOM 0 HB2 LEU A 99 10.672 5.233 -0.152 1.00 44.05 H new ATOM 0 HB3 LEU A 99 11.407 4.464 1.240 1.00 44.05 H new ATOM 0 HG LEU A 99 8.495 4.197 0.378 1.00 13.33 H new ATOM 0 HD11 LEU A 99 9.074 1.837 -0.107 1.00 71.32 H new ATOM 0 HD12 LEU A 99 10.012 2.974 -1.103 1.00 71.32 H new ATOM 0 HD13 LEU A 99 10.773 2.180 0.296 1.00 71.32 H new ATOM 0 HD21 LEU A 99 8.278 2.491 2.167 1.00 5.13 H new ATOM 0 HD22 LEU A 99 9.924 2.876 2.723 1.00 5.13 H new ATOM 0 HD23 LEU A 99 8.641 4.105 2.823 1.00 5.13 H new ATOM 1577 N LYS A 100 11.332 8.234 1.228 1.00 22.10 N ATOM 1578 CA LYS A 100 12.380 9.259 1.387 1.00 5.11 C ATOM 1579 C LYS A 100 12.230 9.986 2.733 1.00 21.25 C ATOM 1580 O LYS A 100 13.194 10.093 3.501 1.00 3.23 O ATOM 1581 CB LYS A 100 12.329 10.276 0.211 1.00 4.03 C ATOM 1582 CG LYS A 100 13.458 11.343 0.208 1.00 4.03 C ATOM 1583 CD LYS A 100 14.878 10.717 0.132 1.00 75.13 C ATOM 1584 CE LYS A 100 15.089 9.852 -1.127 1.00 5.41 C ATOM 1585 NZ LYS A 100 16.440 9.247 -1.169 1.00 63.10 N ATOM 0 H LYS A 100 10.590 8.499 0.581 1.00 22.10 H new ATOM 0 HA LYS A 100 13.350 8.761 1.373 1.00 5.11 H new ATOM 0 HB2 LYS A 100 12.371 9.724 -0.728 1.00 4.03 H new ATOM 0 HB3 LYS A 100 11.367 10.788 0.237 1.00 4.03 H new ATOM 0 HG2 LYS A 100 13.316 12.013 -0.640 1.00 4.03 H new ATOM 0 HG3 LYS A 100 13.381 11.949 1.111 1.00 4.03 H new ATOM 0 HD2 LYS A 100 15.622 11.514 0.147 1.00 75.13 H new ATOM 0 HD3 LYS A 100 15.047 10.106 1.018 1.00 75.13 H new ATOM 0 HE2 LYS A 100 14.338 9.062 -1.153 1.00 5.41 H new ATOM 0 HE3 LYS A 100 14.939 10.464 -2.016 1.00 5.41 H new ATOM 0 HZ1 LYS A 100 16.537 8.674 -2.032 1.00 63.10 H new ATOM 0 HZ2 LYS A 100 17.158 10.000 -1.170 1.00 63.10 H new ATOM 0 HZ3 LYS A 100 16.575 8.641 -0.335 1.00 63.10 H new ATOM 1599 N THR A 101 11.004 10.451 3.013 1.00 4.23 N ATOM 1600 CA THR A 101 10.713 11.308 4.173 1.00 72.13 C ATOM 1601 C THR A 101 10.554 10.471 5.461 1.00 31.30 C ATOM 1602 O THR A 101 11.283 10.672 6.441 1.00 51.15 O ATOM 1603 CB THR A 101 9.421 12.147 3.900 1.00 73.13 C ATOM 1604 OG1 THR A 101 8.371 11.266 3.467 1.00 73.44 O ATOM 1605 CG2 THR A 101 9.641 13.237 2.828 1.00 71.40 C ATOM 0 H THR A 101 10.185 10.244 2.441 1.00 4.23 H new ATOM 0 HA THR A 101 11.554 11.985 4.321 1.00 72.13 H new ATOM 0 HB THR A 101 9.152 12.649 4.829 1.00 73.13 H new ATOM 0 HG1 THR A 101 8.450 11.112 2.502 1.00 73.44 H new ATOM 0 HG21 THR A 101 8.714 13.790 2.676 1.00 71.40 H new ATOM 0 HG22 THR A 101 10.422 13.921 3.160 1.00 71.40 H new ATOM 0 HG23 THR A 101 9.942 12.770 1.890 1.00 71.40 H new ATOM 1613 N ALA A 102 9.617 9.508 5.423 1.00 33.42 N ATOM 1614 CA ALA A 102 9.264 8.660 6.580 1.00 20.35 C ATOM 1615 C ALA A 102 10.187 7.432 6.701 1.00 44.01 C ATOM 1616 O ALA A 102 10.047 6.660 7.654 1.00 74.35 O ATOM 1617 CB ALA A 102 7.796 8.208 6.462 1.00 2.44 C ATOM 0 H ALA A 102 9.078 9.293 4.584 1.00 33.42 H new ATOM 0 HA ALA A 102 9.397 9.256 7.483 1.00 20.35 H new ATOM 0 HB1 ALA A 102 7.538 7.583 7.317 1.00 2.44 H new ATOM 0 HB2 ALA A 102 7.146 9.083 6.443 1.00 2.44 H new ATOM 0 HB3 ALA A 102 7.664 7.638 5.542 1.00 2.44 H new ATOM 1623 N GLY A 103 11.128 7.278 5.742 1.00 34.11 N ATOM 1624 CA GLY A 103 11.924 6.059 5.587 1.00 53.01 C ATOM 1625 C GLY A 103 12.823 5.739 6.766 1.00 31.02 C ATOM 1626 O GLY A 103 12.400 5.059 7.703 1.00 21.20 O ATOM 0 H GLY A 103 11.350 8.001 5.058 1.00 34.11 H new ATOM 0 HA2 GLY A 103 11.250 5.219 5.422 1.00 53.01 H new ATOM 0 HA3 GLY A 103 12.540 6.154 4.692 1.00 53.01 H new ATOM 1630 N SER A 104 14.069 6.222 6.714 1.00 73.35 N ATOM 1631 CA SER A 104 15.072 5.986 7.766 1.00 14.35 C ATOM 1632 C SER A 104 14.927 7.024 8.908 1.00 74.52 C ATOM 1633 O SER A 104 15.714 7.023 9.866 1.00 71.14 O ATOM 1634 CB SER A 104 16.489 6.022 7.131 1.00 73.35 C ATOM 1635 OG SER A 104 17.507 5.674 8.060 1.00 11.43 O ATOM 0 H SER A 104 14.414 6.790 5.940 1.00 73.35 H new ATOM 0 HA SER A 104 14.914 5.004 8.211 1.00 14.35 H new ATOM 0 HB2 SER A 104 16.523 5.336 6.285 1.00 73.35 H new ATOM 0 HB3 SER A 104 16.684 7.020 6.740 1.00 73.35 H new ATOM 0 HG SER A 104 17.269 6.012 8.948 1.00 11.43 H new ATOM 1641 N LEU A 105 13.913 7.910 8.791 1.00 23.01 N ATOM 1642 CA LEU A 105 13.585 8.934 9.795 1.00 34.14 C ATOM 1643 C LEU A 105 12.189 8.667 10.379 1.00 45.53 C ATOM 1644 O LEU A 105 11.355 8.018 9.742 1.00 25.54 O ATOM 1645 CB LEU A 105 13.609 10.345 9.148 1.00 60.22 C ATOM 1646 CG LEU A 105 14.940 10.775 8.457 1.00 13.45 C ATOM 1647 CD1 LEU A 105 14.836 12.210 7.909 1.00 30.42 C ATOM 1648 CD2 LEU A 105 16.152 10.610 9.403 1.00 54.14 C ATOM 0 H LEU A 105 13.293 7.930 7.982 1.00 23.01 H new ATOM 0 HA LEU A 105 14.327 8.891 10.592 1.00 34.14 H new ATOM 0 HB2 LEU A 105 12.810 10.394 8.408 1.00 60.22 H new ATOM 0 HB3 LEU A 105 13.374 11.078 9.920 1.00 60.22 H new ATOM 0 HG LEU A 105 15.106 10.109 7.610 1.00 13.45 H new ATOM 0 HD11 LEU A 105 15.776 12.486 7.432 1.00 30.42 H new ATOM 0 HD12 LEU A 105 14.029 12.263 7.178 1.00 30.42 H new ATOM 0 HD13 LEU A 105 14.629 12.898 8.728 1.00 30.42 H new ATOM 0 HD21 LEU A 105 17.061 10.919 8.887 1.00 54.14 H new ATOM 0 HD22 LEU A 105 16.009 11.229 10.289 1.00 54.14 H new ATOM 0 HD23 LEU A 105 16.241 9.565 9.701 1.00 54.14 H new ATOM 1660 N GLU A 106 11.945 9.178 11.588 1.00 21.24 N ATOM 1661 CA GLU A 106 10.608 9.190 12.212 1.00 33.53 C ATOM 1662 C GLU A 106 10.173 10.642 12.460 1.00 45.41 C ATOM 1663 O GLU A 106 11.000 11.560 12.439 1.00 72.24 O ATOM 1664 CB GLU A 106 10.589 8.323 13.515 1.00 71.51 C ATOM 1665 CG GLU A 106 11.771 8.531 14.506 1.00 51.42 C ATOM 1666 CD GLU A 106 11.814 9.909 15.192 1.00 13.11 C ATOM 1667 OE1 GLU A 106 10.892 10.219 15.971 1.00 42.40 O ATOM 1668 OE2 GLU A 106 12.752 10.696 14.938 1.00 70.21 O ATOM 0 H GLU A 106 12.670 9.599 12.170 1.00 21.24 H new ATOM 0 HA GLU A 106 9.884 8.736 11.535 1.00 33.53 H new ATOM 0 HB2 GLU A 106 9.659 8.526 14.046 1.00 71.51 H new ATOM 0 HB3 GLU A 106 10.568 7.272 13.225 1.00 71.51 H new ATOM 0 HG2 GLU A 106 11.719 7.761 15.276 1.00 51.42 H new ATOM 0 HG3 GLU A 106 12.707 8.381 13.968 1.00 51.42 H new ATOM 1675 N HIS A 107 8.869 10.851 12.677 1.00 33.43 N ATOM 1676 CA HIS A 107 8.293 12.186 12.931 1.00 14.42 C ATOM 1677 C HIS A 107 7.382 12.106 14.157 1.00 23.14 C ATOM 1678 O HIS A 107 6.392 11.358 14.151 1.00 40.11 O ATOM 1679 CB HIS A 107 7.540 12.707 11.682 1.00 13.13 C ATOM 1680 CG HIS A 107 8.439 12.889 10.494 1.00 2.33 C ATOM 1681 ND1 HIS A 107 8.619 11.918 9.534 1.00 53.01 N ATOM 1682 CD2 HIS A 107 9.256 13.911 10.146 1.00 25.44 C ATOM 1683 CE1 HIS A 107 9.502 12.335 8.651 1.00 20.32 C ATOM 1684 NE2 HIS A 107 9.901 13.539 9.001 1.00 73.21 N ATOM 0 H HIS A 107 8.178 10.100 12.682 1.00 33.43 H new ATOM 0 HA HIS A 107 9.090 12.901 13.135 1.00 14.42 H new ATOM 0 HB2 HIS A 107 6.744 12.008 11.426 1.00 13.13 H new ATOM 0 HB3 HIS A 107 7.064 13.658 11.921 1.00 13.13 H new ATOM 0 HD2 HIS A 107 9.375 14.845 10.675 1.00 25.44 H new ATOM 0 HE1 HIS A 107 9.841 11.783 7.787 1.00 20.32 H new ATOM 0 HE2 HIS A 107 10.584 14.105 8.497 1.00 73.21 H new ATOM 1693 N HIS A 108 7.752 12.873 15.207 1.00 62.32 N ATOM 1694 CA HIS A 108 7.110 12.838 16.527 1.00 13.01 C ATOM 1695 C HIS A 108 5.664 13.374 16.456 1.00 54.13 C ATOM 1696 O HIS A 108 5.417 14.582 16.564 1.00 22.11 O ATOM 1697 CB HIS A 108 7.954 13.650 17.549 1.00 2.44 C ATOM 1698 CG HIS A 108 7.395 13.649 18.953 1.00 53.02 C ATOM 1699 ND1 HIS A 108 6.544 14.628 19.425 1.00 52.31 N ATOM 1700 CD2 HIS A 108 7.555 12.775 19.975 1.00 22.14 C ATOM 1701 CE1 HIS A 108 6.205 14.354 20.667 1.00 63.44 C ATOM 1702 NE2 HIS A 108 6.803 13.235 21.025 1.00 60.21 N ATOM 0 H HIS A 108 8.519 13.543 15.153 1.00 62.32 H new ATOM 0 HA HIS A 108 7.059 11.802 16.861 1.00 13.01 H new ATOM 0 HB2 HIS A 108 8.965 13.244 17.572 1.00 2.44 H new ATOM 0 HB3 HIS A 108 8.032 14.680 17.202 1.00 2.44 H new ATOM 0 HD2 HIS A 108 8.162 11.882 19.965 1.00 22.14 H new ATOM 0 HE1 HIS A 108 5.548 14.946 21.288 1.00 63.44 H new ATOM 0 HE2 HIS A 108 6.720 12.784 21.936 1.00 60.21 H new ATOM 1711 N HIS A 109 4.730 12.453 16.210 1.00 64.45 N ATOM 1712 CA HIS A 109 3.287 12.713 16.252 1.00 73.25 C ATOM 1713 C HIS A 109 2.740 12.166 17.573 1.00 60.32 C ATOM 1714 O HIS A 109 2.187 12.915 18.381 1.00 54.23 O ATOM 1715 CB HIS A 109 2.589 12.056 15.034 1.00 73.11 C ATOM 1716 CG HIS A 109 2.999 12.653 13.712 1.00 44.00 C ATOM 1717 ND1 HIS A 109 3.658 11.948 12.728 1.00 64.12 N ATOM 1718 CD2 HIS A 109 2.819 13.899 13.216 1.00 15.24 C ATOM 1719 CE1 HIS A 109 3.855 12.735 11.691 1.00 44.23 C ATOM 1720 NE2 HIS A 109 3.356 13.924 11.960 1.00 22.42 N ATOM 0 H HIS A 109 4.958 11.488 15.972 1.00 64.45 H new ATOM 0 HA HIS A 109 3.090 13.784 16.198 1.00 73.25 H new ATOM 0 HB2 HIS A 109 2.815 10.990 15.028 1.00 73.11 H new ATOM 0 HB3 HIS A 109 1.509 12.153 15.148 1.00 73.11 H new ATOM 0 HD2 HIS A 109 2.338 14.724 13.721 1.00 15.24 H new ATOM 0 HE1 HIS A 109 4.345 12.452 10.771 1.00 44.23 H new ATOM 0 HE2 HIS A 109 3.368 14.730 11.334 1.00 22.42 H new ATOM 1729 N HIS A 110 2.958 10.854 17.792 1.00 13.24 N ATOM 1730 CA HIS A 110 2.538 10.139 19.015 1.00 74.22 C ATOM 1731 C HIS A 110 3.184 8.736 19.047 1.00 22.31 C ATOM 1732 O HIS A 110 3.370 8.111 17.997 1.00 13.21 O ATOM 1733 CB HIS A 110 0.984 10.022 19.093 1.00 40.21 C ATOM 1734 CG HIS A 110 0.365 9.243 17.955 1.00 51.51 C ATOM 1735 ND1 HIS A 110 0.043 9.804 16.739 1.00 24.12 N ATOM 1736 CD2 HIS A 110 0.034 7.936 17.853 1.00 25.40 C ATOM 1737 CE1 HIS A 110 -0.454 8.875 15.951 1.00 0.23 C ATOM 1738 NE2 HIS A 110 -0.469 7.735 16.604 1.00 73.34 N ATOM 0 H HIS A 110 3.435 10.255 17.119 1.00 13.24 H new ATOM 0 HA HIS A 110 2.874 10.710 19.881 1.00 74.22 H new ATOM 0 HB2 HIS A 110 0.713 9.545 20.035 1.00 40.21 H new ATOM 0 HB3 HIS A 110 0.555 11.024 19.108 1.00 40.21 H new ATOM 0 HD2 HIS A 110 0.148 7.187 18.623 1.00 25.40 H new ATOM 0 HE1 HIS A 110 -0.793 9.025 14.937 1.00 0.23 H new ATOM 0 HE2 HIS A 110 -0.803 6.845 16.235 1.00 73.34 H new ATOM 1747 N HIS A 111 3.525 8.257 20.252 1.00 14.11 N ATOM 1748 CA HIS A 111 3.990 6.867 20.477 1.00 53.35 C ATOM 1749 C HIS A 111 2.893 6.061 21.203 1.00 15.13 C ATOM 1750 O HIS A 111 3.178 5.157 21.988 1.00 23.31 O ATOM 1751 CB HIS A 111 5.340 6.861 21.262 1.00 5.42 C ATOM 1752 CG HIS A 111 5.331 7.601 22.582 1.00 44.14 C ATOM 1753 ND1 HIS A 111 5.828 8.877 22.731 1.00 14.44 N ATOM 1754 CD2 HIS A 111 4.914 7.224 23.817 1.00 10.33 C ATOM 1755 CE1 HIS A 111 5.715 9.245 23.991 1.00 30.35 C ATOM 1756 NE2 HIS A 111 5.166 8.262 24.671 1.00 12.12 N ATOM 0 H HIS A 111 3.489 8.817 21.103 1.00 14.11 H new ATOM 0 HA HIS A 111 4.177 6.386 19.517 1.00 53.35 H new ATOM 0 HB2 HIS A 111 5.627 5.826 21.448 1.00 5.42 H new ATOM 0 HB3 HIS A 111 6.111 7.297 20.627 1.00 5.42 H new ATOM 0 HD2 HIS A 111 4.465 6.277 24.078 1.00 10.33 H new ATOM 0 HE1 HIS A 111 6.022 10.197 24.398 1.00 30.35 H new ATOM 0 HE2 HIS A 111 4.962 8.272 25.670 1.00 12.12 H new ATOM 1765 N HIS A 112 1.621 6.383 20.900 1.00 53.32 N ATOM 1766 CA HIS A 112 0.446 5.734 21.513 1.00 13.40 C ATOM 1767 C HIS A 112 -0.475 5.181 20.403 1.00 65.53 C ATOM 1768 O HIS A 112 -1.338 5.929 19.904 1.00 43.04 O ATOM 1769 CB HIS A 112 -0.298 6.739 22.441 1.00 30.21 C ATOM 1770 CG HIS A 112 0.508 7.153 23.642 1.00 33.21 C ATOM 1771 ND1 HIS A 112 0.668 6.343 24.741 1.00 62.14 N ATOM 1772 CD2 HIS A 112 1.223 8.279 23.904 1.00 30.45 C ATOM 1773 CE1 HIS A 112 1.434 6.946 25.623 1.00 64.54 C ATOM 1774 NE2 HIS A 112 1.787 8.117 25.140 1.00 40.43 N ATOM 1775 OXT HIS A 112 -0.307 4.010 20.002 1.00 38.41 O ATOM 0 H HIS A 112 1.378 7.104 20.220 1.00 53.32 H new ATOM 0 HA HIS A 112 0.766 4.896 22.133 1.00 13.40 H new ATOM 0 HB2 HIS A 112 -0.561 7.627 21.866 1.00 30.21 H new ATOM 0 HB3 HIS A 112 -1.232 6.289 22.777 1.00 30.21 H new ATOM 0 HD2 HIS A 112 1.326 9.139 23.259 1.00 30.45 H new ATOM 0 HE1 HIS A 112 1.725 6.547 26.583 1.00 64.54 H new ATOM 0 HE2 HIS A 112 2.385 8.796 25.611 1.00 40.43 H new TER 1784 HIS A 112