USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 946 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 36 HIS : no HE2:sc= 0.545 K(o=2.8,f=-3.1!) USER MOD Set 1.2: A 87 TYR OH : rot -128:sc= 2.03 USER MOD Set 1.3: A 102 TYR OH : rot -63:sc= 0.274 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 78 HIS : no HE2:sc= -0.53 K(o=-0.53,f=-1.6) USER MOD Set 4.1: A 9 GLN : amide:sc= -0.0167 X(o=-0.67,f=-0.7) USER MOD Set 4.2: A 11 HIS : no HE2:sc= -0.547 K(o=-0.67,f=-1.4) USER MOD Set 4.3: A 18 THR OG1 : rot -169:sc= -0.105 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -149:sc= -0.0474 (180deg=-0.94) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 74:sc= 0.095 USER MOD Single : A 43 GLN : amide:sc= -0.0814 X(o=-0.081,f=-0.081) USER MOD Single : A 45 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.084) USER MOD Single : A 47 ASN : amide:sc= 0.155 X(o=0.16,f=-0.009) USER MOD Single : A 51 GLN : amide:sc= 0.72 K(o=0.72,f=-3.4!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 1.81 (180deg=1.73) USER MOD Single : A 56 ASN : amide:sc= -0.545 X(o=-0.54,f=-0.26) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 13:sc= 1.17 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -63:sc= 0.177 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.13) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 5:sc= 1.13 USER MOD Single : A 118 SER OG : rot 55:sc= 1.24 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -132:sc= 0 (180deg=-0.0641) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.534 -1.722 12.835 1.00 50.12 N ATOM 2 CA GLY A 1 20.242 -2.458 11.603 1.00 25.20 C ATOM 3 C GLY A 1 19.084 -1.831 10.864 1.00 11.51 C ATOM 4 O GLY A 1 17.924 -1.997 11.253 1.00 24.34 O ATOM 0 H1 GLY A 1 21.333 -2.171 13.326 1.00 50.12 H new ATOM 0 H2 GLY A 1 20.779 -0.738 12.602 1.00 50.12 H new ATOM 0 H3 GLY A 1 19.697 -1.733 13.453 1.00 50.12 H new ATOM 0 HA2 GLY A 1 21.124 -2.469 10.963 1.00 25.20 H new ATOM 0 HA3 GLY A 1 20.008 -3.496 11.841 1.00 25.20 H new ATOM 8 N MET A 2 19.386 -1.117 9.781 1.00 34.12 N ATOM 9 CA MET A 2 18.416 -0.724 8.764 1.00 14.52 C ATOM 10 C MET A 2 17.778 -1.971 8.121 1.00 65.12 C ATOM 11 O MET A 2 18.172 -3.107 8.402 1.00 72.25 O ATOM 12 CB MET A 2 19.090 0.244 7.784 1.00 11.51 C ATOM 13 CG MET A 2 20.081 -0.478 6.882 1.00 64.22 C ATOM 14 SD MET A 2 21.753 0.227 6.711 1.00 2.20 S ATOM 15 CE MET A 2 21.451 2.007 6.519 1.00 65.25 C ATOM 0 H MET A 2 20.332 -0.790 9.583 1.00 34.12 H new ATOM 0 HA MET A 2 17.578 -0.181 9.200 1.00 14.52 H new ATOM 0 HB2 MET A 2 18.331 0.734 7.174 1.00 11.51 H new ATOM 0 HB3 MET A 2 19.606 1.027 8.340 1.00 11.51 H new ATOM 0 HG2 MET A 2 20.185 -1.499 7.250 1.00 64.22 H new ATOM 0 HG3 MET A 2 19.642 -0.541 5.886 1.00 64.22 H new ATOM 0 HE1 MET A 2 22.230 2.443 5.893 1.00 65.25 H new ATOM 0 HE2 MET A 2 20.479 2.163 6.050 1.00 65.25 H new ATOM 0 HE3 MET A 2 21.462 2.486 7.498 1.00 65.25 H new ATOM 25 N ARG A 3 16.780 -1.762 7.269 1.00 70.43 N ATOM 26 CA ARG A 3 16.077 -2.792 6.521 1.00 25.22 C ATOM 27 C ARG A 3 15.980 -2.253 5.096 1.00 50.15 C ATOM 28 O ARG A 3 14.925 -1.798 4.678 1.00 74.51 O ATOM 29 CB ARG A 3 14.728 -3.088 7.227 1.00 11.42 C ATOM 30 CG ARG A 3 14.765 -4.270 8.213 1.00 25.34 C ATOM 31 CD ARG A 3 14.000 -5.473 7.648 1.00 4.10 C ATOM 32 NE ARG A 3 13.878 -6.575 8.616 1.00 22.44 N ATOM 33 CZ ARG A 3 14.453 -7.787 8.596 1.00 44.14 C ATOM 34 NH1 ARG A 3 15.229 -8.184 7.588 1.00 14.40 N ATOM 35 NH2 ARG A 3 14.250 -8.615 9.613 1.00 53.11 N ATOM 0 H ARG A 3 16.425 -0.826 7.074 1.00 70.43 H new ATOM 0 HA ARG A 3 16.577 -3.760 6.481 1.00 25.22 H new ATOM 0 HB2 ARG A 3 14.410 -2.194 7.764 1.00 11.42 H new ATOM 0 HB3 ARG A 3 13.972 -3.289 6.468 1.00 11.42 H new ATOM 0 HG2 ARG A 3 15.799 -4.551 8.412 1.00 25.34 H new ATOM 0 HG3 ARG A 3 14.328 -3.969 9.165 1.00 25.34 H new ATOM 0 HD2 ARG A 3 13.004 -5.153 7.341 1.00 4.10 H new ATOM 0 HD3 ARG A 3 14.509 -5.835 6.754 1.00 4.10 H new ATOM 0 HE ARG A 3 13.271 -6.391 9.415 1.00 22.44 H new ATOM 0 HH11 ARG A 3 15.401 -7.559 6.800 1.00 14.40 H new ATOM 0 HH12 ARG A 3 15.651 -9.112 7.604 1.00 14.40 H new ATOM 0 HH21 ARG A 3 13.663 -8.327 10.396 1.00 53.11 H new ATOM 0 HH22 ARG A 3 14.681 -9.540 9.612 1.00 53.11 H new ATOM 49 N ILE A 4 17.101 -2.206 4.380 1.00 45.02 N ATOM 50 CA ILE A 4 17.158 -1.828 2.966 1.00 62.12 C ATOM 51 C ILE A 4 16.953 -3.119 2.162 1.00 10.33 C ATOM 52 O ILE A 4 17.500 -4.157 2.543 1.00 70.22 O ATOM 53 CB ILE A 4 18.513 -1.151 2.643 1.00 72.55 C ATOM 54 CG1 ILE A 4 18.539 0.229 3.325 1.00 11.12 C ATOM 55 CG2 ILE A 4 18.732 -0.956 1.127 1.00 64.14 C ATOM 56 CD1 ILE A 4 19.905 0.915 3.330 1.00 62.31 C ATOM 0 H ILE A 4 18.015 -2.434 4.772 1.00 45.02 H new ATOM 0 HA ILE A 4 16.387 -1.101 2.710 1.00 62.12 H new ATOM 0 HB ILE A 4 19.308 -1.801 3.009 1.00 72.55 H new ATOM 0 HG12 ILE A 4 17.823 0.880 2.824 1.00 11.12 H new ATOM 0 HG13 ILE A 4 18.201 0.116 4.355 1.00 11.12 H new ATOM 0 HG21 ILE A 4 19.697 -0.478 0.957 1.00 64.14 H new ATOM 0 HG22 ILE A 4 18.715 -1.926 0.629 1.00 64.14 H new ATOM 0 HG23 ILE A 4 17.939 -0.327 0.723 1.00 64.14 H new ATOM 0 HD11 ILE A 4 19.826 1.880 3.831 1.00 62.31 H new ATOM 0 HD12 ILE A 4 20.624 0.290 3.859 1.00 62.31 H new ATOM 0 HD13 ILE A 4 20.240 1.065 2.304 1.00 62.31 H new ATOM 68 N PRO A 5 16.154 -3.104 1.086 1.00 51.32 N ATOM 69 CA PRO A 5 15.883 -4.290 0.294 1.00 30.11 C ATOM 70 C PRO A 5 17.066 -4.758 -0.539 1.00 43.42 C ATOM 71 O PRO A 5 18.103 -4.098 -0.641 1.00 52.05 O ATOM 72 CB PRO A 5 14.638 -3.963 -0.540 1.00 21.11 C ATOM 73 CG PRO A 5 14.677 -2.450 -0.656 1.00 12.14 C ATOM 74 CD PRO A 5 15.318 -2.003 0.651 1.00 52.14 C ATOM 0 HA PRO A 5 15.701 -5.147 0.942 1.00 30.11 H new ATOM 0 HB2 PRO A 5 14.673 -4.442 -1.519 1.00 21.11 H new ATOM 0 HB3 PRO A 5 13.726 -4.305 -0.051 1.00 21.11 H new ATOM 0 HG2 PRO A 5 15.261 -2.130 -1.518 1.00 12.14 H new ATOM 0 HG3 PRO A 5 13.677 -2.032 -0.775 1.00 12.14 H new ATOM 0 HD2 PRO A 5 15.909 -1.099 0.506 1.00 52.14 H new ATOM 0 HD3 PRO A 5 14.559 -1.771 1.398 1.00 52.14 H new ATOM 82 N SER A 6 16.871 -5.938 -1.127 1.00 5.12 N ATOM 83 CA SER A 6 17.765 -6.562 -2.091 1.00 21.50 C ATOM 84 C SER A 6 17.025 -6.997 -3.360 1.00 21.33 C ATOM 85 O SER A 6 17.663 -7.362 -4.351 1.00 52.13 O ATOM 86 CB SER A 6 18.455 -7.759 -1.437 1.00 65.52 C ATOM 87 OG SER A 6 19.099 -7.382 -0.235 1.00 33.04 O ATOM 0 H SER A 6 16.047 -6.507 -0.933 1.00 5.12 H new ATOM 0 HA SER A 6 18.510 -5.826 -2.393 1.00 21.50 H new ATOM 0 HB2 SER A 6 17.721 -8.538 -1.231 1.00 65.52 H new ATOM 0 HB3 SER A 6 19.185 -8.183 -2.127 1.00 65.52 H new ATOM 0 HG SER A 6 19.531 -8.166 0.164 1.00 33.04 H new ATOM 93 N ALA A 7 15.690 -6.967 -3.349 1.00 10.03 N ATOM 94 CA ALA A 7 14.841 -7.231 -4.502 1.00 5.13 C ATOM 95 C ALA A 7 13.850 -6.079 -4.638 1.00 72.35 C ATOM 96 O ALA A 7 13.090 -5.841 -3.698 1.00 72.54 O ATOM 97 CB ALA A 7 14.126 -8.580 -4.337 1.00 45.01 C ATOM 0 H ALA A 7 15.157 -6.750 -2.506 1.00 10.03 H new ATOM 0 HA ALA A 7 15.438 -7.296 -5.411 1.00 5.13 H new ATOM 0 HB1 ALA A 7 13.494 -8.766 -5.206 1.00 45.01 H new ATOM 0 HB2 ALA A 7 14.866 -9.376 -4.250 1.00 45.01 H new ATOM 0 HB3 ALA A 7 13.510 -8.558 -3.438 1.00 45.01 H new ATOM 103 N ILE A 8 13.838 -5.401 -5.787 1.00 64.11 N ATOM 104 CA ILE A 8 12.751 -4.516 -6.187 1.00 4.41 C ATOM 105 C ILE A 8 12.127 -5.164 -7.419 1.00 24.30 C ATOM 106 O ILE A 8 12.765 -5.245 -8.476 1.00 51.22 O ATOM 107 CB ILE A 8 13.206 -3.063 -6.473 1.00 44.11 C ATOM 108 CG1 ILE A 8 14.118 -2.409 -5.421 1.00 45.33 C ATOM 109 CG2 ILE A 8 11.973 -2.182 -6.741 1.00 73.24 C ATOM 110 CD1 ILE A 8 13.519 -2.284 -4.024 1.00 11.22 C ATOM 0 H ILE A 8 14.593 -5.454 -6.471 1.00 64.11 H new ATOM 0 HA ILE A 8 12.035 -4.409 -5.372 1.00 4.41 H new ATOM 0 HB ILE A 8 13.843 -3.139 -7.354 1.00 44.11 H new ATOM 0 HG12 ILE A 8 15.039 -2.988 -5.353 1.00 45.33 H new ATOM 0 HG13 ILE A 8 14.392 -1.414 -5.771 1.00 45.33 H new ATOM 0 HG21 ILE A 8 12.293 -1.160 -6.942 1.00 73.24 H new ATOM 0 HG22 ILE A 8 11.430 -2.569 -7.603 1.00 73.24 H new ATOM 0 HG23 ILE A 8 11.321 -2.193 -5.867 1.00 73.24 H new ATOM 0 HD11 ILE A 8 14.242 -1.811 -3.359 1.00 11.22 H new ATOM 0 HD12 ILE A 8 12.615 -1.677 -4.069 1.00 11.22 H new ATOM 0 HD13 ILE A 8 13.272 -3.275 -3.644 1.00 11.22 H new ATOM 122 N GLN A 9 10.905 -5.657 -7.266 1.00 74.12 N ATOM 123 CA GLN A 9 10.014 -6.037 -8.347 1.00 42.44 C ATOM 124 C GLN A 9 8.736 -5.242 -8.123 1.00 31.54 C ATOM 125 O GLN A 9 8.287 -5.144 -6.978 1.00 74.14 O ATOM 126 CB GLN A 9 9.723 -7.541 -8.285 1.00 52.42 C ATOM 127 CG GLN A 9 10.804 -8.403 -8.939 1.00 31.41 C ATOM 128 CD GLN A 9 10.347 -9.856 -9.053 1.00 14.02 C ATOM 129 OE1 GLN A 9 10.115 -10.357 -10.151 1.00 13.04 O ATOM 130 NE2 GLN A 9 10.209 -10.569 -7.942 1.00 12.21 N ATOM 0 H GLN A 9 10.493 -5.808 -6.345 1.00 74.12 H new ATOM 0 HA GLN A 9 10.450 -5.831 -9.325 1.00 42.44 H new ATOM 0 HB2 GLN A 9 9.615 -7.839 -7.242 1.00 52.42 H new ATOM 0 HB3 GLN A 9 8.769 -7.738 -8.773 1.00 52.42 H new ATOM 0 HG2 GLN A 9 11.037 -8.012 -9.929 1.00 31.41 H new ATOM 0 HG3 GLN A 9 11.721 -8.351 -8.352 1.00 31.41 H new ATOM 0 HE21 GLN A 9 10.404 -10.144 -7.036 1.00 12.21 H new ATOM 0 HE22 GLN A 9 9.908 -11.542 -7.995 1.00 12.21 H new ATOM 139 N LEU A 10 8.167 -4.669 -9.182 1.00 21.10 N ATOM 140 CA LEU A 10 6.884 -3.979 -9.168 1.00 1.04 C ATOM 141 C LEU A 10 5.800 -4.800 -9.873 1.00 5.23 C ATOM 142 O LEU A 10 4.648 -4.367 -9.916 1.00 43.44 O ATOM 143 CB LEU A 10 7.050 -2.589 -9.813 1.00 72.24 C ATOM 144 CG LEU A 10 6.724 -2.413 -11.313 1.00 5.23 C ATOM 145 CD1 LEU A 10 6.898 -0.934 -11.674 1.00 73.42 C ATOM 146 CD2 LEU A 10 7.616 -3.249 -12.238 1.00 63.21 C ATOM 0 H LEU A 10 8.604 -4.674 -10.104 1.00 21.10 H new ATOM 0 HA LEU A 10 6.558 -3.854 -8.136 1.00 1.04 H new ATOM 0 HB2 LEU A 10 6.424 -1.892 -9.257 1.00 72.24 H new ATOM 0 HB3 LEU A 10 8.084 -2.278 -9.663 1.00 72.24 H new ATOM 0 HG LEU A 10 5.701 -2.758 -11.462 1.00 5.23 H new ATOM 0 HD11 LEU A 10 6.672 -0.788 -12.730 1.00 73.42 H new ATOM 0 HD12 LEU A 10 6.220 -0.330 -11.071 1.00 73.42 H new ATOM 0 HD13 LEU A 10 7.926 -0.630 -11.477 1.00 73.42 H new ATOM 0 HD21 LEU A 10 7.329 -3.074 -13.275 1.00 63.21 H new ATOM 0 HD22 LEU A 10 8.658 -2.962 -12.096 1.00 63.21 H new ATOM 0 HD23 LEU A 10 7.496 -4.306 -12.001 1.00 63.21 H new ATOM 158 N HIS A 11 6.200 -5.908 -10.513 1.00 3.44 N ATOM 159 CA HIS A 11 5.397 -6.842 -11.276 1.00 31.10 C ATOM 160 C HIS A 11 4.413 -6.090 -12.150 1.00 2.20 C ATOM 161 O HIS A 11 3.230 -6.063 -11.834 1.00 63.24 O ATOM 162 CB HIS A 11 4.735 -7.915 -10.401 1.00 1.34 C ATOM 163 CG HIS A 11 5.709 -8.923 -9.856 1.00 52.43 C ATOM 164 ND1 HIS A 11 6.052 -10.118 -10.442 1.00 22.31 N ATOM 165 CD2 HIS A 11 6.379 -8.850 -8.670 1.00 74.14 C ATOM 166 CE1 HIS A 11 6.927 -10.742 -9.641 1.00 3.14 C ATOM 167 NE2 HIS A 11 7.175 -9.994 -8.556 1.00 14.31 N ATOM 0 H HIS A 11 7.181 -6.187 -10.502 1.00 3.44 H new ATOM 0 HA HIS A 11 6.063 -7.401 -11.934 1.00 31.10 H new ATOM 0 HB2 HIS A 11 4.221 -7.431 -9.571 1.00 1.34 H new ATOM 0 HB3 HIS A 11 3.976 -8.434 -10.986 1.00 1.34 H new ATOM 0 HD1 HIS A 11 5.701 -10.469 -11.333 1.00 22.31 H new ATOM 0 HD2 HIS A 11 6.307 -8.051 -7.947 1.00 74.14 H new ATOM 0 HE1 HIS A 11 7.368 -11.707 -9.841 1.00 3.14 H new ATOM 175 N LYS A 12 4.861 -5.494 -13.259 1.00 45.13 N ATOM 176 CA LYS A 12 3.946 -4.863 -14.214 1.00 12.40 C ATOM 177 C LYS A 12 2.816 -5.808 -14.643 1.00 65.53 C ATOM 178 O LYS A 12 1.751 -5.326 -15.016 1.00 32.21 O ATOM 179 CB LYS A 12 4.746 -4.337 -15.414 1.00 61.33 C ATOM 180 CG LYS A 12 5.015 -2.826 -15.357 1.00 72.42 C ATOM 181 CD LYS A 12 3.924 -1.993 -16.043 1.00 43.05 C ATOM 182 CE LYS A 12 2.586 -1.953 -15.292 1.00 52.12 C ATOM 183 NZ LYS A 12 1.548 -1.258 -16.085 1.00 63.32 N ATOM 0 H LYS A 12 5.846 -5.435 -13.517 1.00 45.13 H new ATOM 0 HA LYS A 12 3.457 -4.021 -13.724 1.00 12.40 H new ATOM 0 HB2 LYS A 12 5.698 -4.866 -15.466 1.00 61.33 H new ATOM 0 HB3 LYS A 12 4.203 -4.567 -16.331 1.00 61.33 H new ATOM 0 HG2 LYS A 12 5.098 -2.517 -14.315 1.00 72.42 H new ATOM 0 HG3 LYS A 12 5.975 -2.616 -15.829 1.00 72.42 H new ATOM 0 HD2 LYS A 12 4.287 -0.973 -16.166 1.00 43.05 H new ATOM 0 HD3 LYS A 12 3.753 -2.394 -17.042 1.00 43.05 H new ATOM 0 HE2 LYS A 12 2.259 -2.969 -15.071 1.00 52.12 H new ATOM 0 HE3 LYS A 12 2.717 -1.446 -14.336 1.00 52.12 H new ATOM 0 HZ1 LYS A 12 0.655 -1.246 -15.553 1.00 63.32 H new ATOM 0 HZ2 LYS A 12 1.851 -0.281 -16.274 1.00 63.32 H new ATOM 0 HZ3 LYS A 12 1.407 -1.757 -16.986 1.00 63.32 H new ATOM 197 N ALA A 13 3.029 -7.121 -14.525 1.00 4.23 N ATOM 198 CA ALA A 13 2.029 -8.166 -14.600 1.00 43.11 C ATOM 199 C ALA A 13 0.803 -7.929 -13.708 1.00 14.32 C ATOM 200 O ALA A 13 -0.292 -7.747 -14.234 1.00 14.33 O ATOM 201 CB ALA A 13 2.694 -9.495 -14.246 1.00 45.13 C ATOM 0 H ALA A 13 3.964 -7.496 -14.365 1.00 4.23 H new ATOM 0 HA ALA A 13 1.644 -8.173 -15.620 1.00 43.11 H new ATOM 0 HB1 ALA A 13 1.956 -10.296 -14.297 1.00 45.13 H new ATOM 0 HB2 ALA A 13 3.499 -9.698 -14.952 1.00 45.13 H new ATOM 0 HB3 ALA A 13 3.101 -9.440 -13.236 1.00 45.13 H new ATOM 207 N SER A 14 0.953 -7.957 -12.380 1.00 2.11 N ATOM 208 CA SER A 14 -0.156 -7.944 -11.414 1.00 24.11 C ATOM 209 C SER A 14 -0.113 -6.727 -10.475 1.00 74.33 C ATOM 210 O SER A 14 -0.923 -6.615 -9.560 1.00 24.45 O ATOM 211 CB SER A 14 -0.178 -9.270 -10.640 1.00 50.23 C ATOM 212 OG SER A 14 -0.376 -10.370 -11.514 1.00 24.55 O ATOM 0 H SER A 14 1.870 -7.990 -11.934 1.00 2.11 H new ATOM 0 HA SER A 14 -1.088 -7.846 -11.970 1.00 24.11 H new ATOM 0 HB2 SER A 14 0.761 -9.395 -10.100 1.00 50.23 H new ATOM 0 HB3 SER A 14 -0.973 -9.246 -9.895 1.00 50.23 H new ATOM 0 HG SER A 14 -0.384 -11.202 -10.996 1.00 24.55 H new ATOM 218 N LYS A 15 0.767 -5.768 -10.752 1.00 42.01 N ATOM 219 CA LYS A 15 1.050 -4.567 -9.985 1.00 61.22 C ATOM 220 C LYS A 15 1.383 -4.919 -8.538 1.00 70.11 C ATOM 221 O LYS A 15 0.659 -4.557 -7.606 1.00 52.20 O ATOM 222 CB LYS A 15 -0.079 -3.548 -10.137 1.00 34.43 C ATOM 223 CG LYS A 15 -0.620 -3.355 -11.571 1.00 64.24 C ATOM 224 CD LYS A 15 -2.081 -3.813 -11.678 1.00 44.34 C ATOM 225 CE LYS A 15 -2.923 -2.955 -12.624 1.00 4.32 C ATOM 226 NZ LYS A 15 -2.547 -3.075 -14.042 1.00 10.22 N ATOM 0 H LYS A 15 1.347 -5.820 -11.590 1.00 42.01 H new ATOM 0 HA LYS A 15 1.940 -4.081 -10.384 1.00 61.22 H new ATOM 0 HB2 LYS A 15 -0.906 -3.851 -9.494 1.00 34.43 H new ATOM 0 HB3 LYS A 15 0.274 -2.585 -9.769 1.00 34.43 H new ATOM 0 HG2 LYS A 15 -0.543 -2.305 -11.853 1.00 64.24 H new ATOM 0 HG3 LYS A 15 -0.007 -3.919 -12.273 1.00 64.24 H new ATOM 0 HD2 LYS A 15 -2.105 -4.847 -12.021 1.00 44.34 H new ATOM 0 HD3 LYS A 15 -2.532 -3.795 -10.686 1.00 44.34 H new ATOM 0 HE2 LYS A 15 -3.971 -3.233 -12.513 1.00 4.32 H new ATOM 0 HE3 LYS A 15 -2.836 -1.911 -12.324 1.00 4.32 H new ATOM 0 HZ1 LYS A 15 -3.162 -2.465 -14.617 1.00 10.22 H new ATOM 0 HZ2 LYS A 15 -1.557 -2.782 -14.165 1.00 10.22 H new ATOM 0 HZ3 LYS A 15 -2.656 -4.063 -14.348 1.00 10.22 H new ATOM 240 N THR A 16 2.516 -5.585 -8.354 1.00 41.31 N ATOM 241 CA THR A 16 2.867 -6.232 -7.106 1.00 43.03 C ATOM 242 C THR A 16 4.253 -5.781 -6.672 1.00 5.14 C ATOM 243 O THR A 16 5.241 -6.059 -7.347 1.00 64.51 O ATOM 244 CB THR A 16 2.808 -7.755 -7.272 1.00 2.21 C ATOM 245 OG1 THR A 16 1.802 -8.183 -8.165 1.00 12.43 O ATOM 246 CG2 THR A 16 2.591 -8.382 -5.912 1.00 70.52 C ATOM 0 H THR A 16 3.224 -5.690 -9.081 1.00 41.31 H new ATOM 0 HA THR A 16 2.154 -5.949 -6.332 1.00 43.03 H new ATOM 0 HB THR A 16 3.755 -8.075 -7.706 1.00 2.21 H new ATOM 0 HG1 THR A 16 1.816 -9.161 -8.229 1.00 12.43 H new ATOM 0 HG21 THR A 16 2.547 -9.466 -6.014 1.00 70.52 H new ATOM 0 HG22 THR A 16 3.415 -8.113 -5.252 1.00 70.52 H new ATOM 0 HG23 THR A 16 1.654 -8.019 -5.489 1.00 70.52 H new ATOM 254 N LEU A 17 4.352 -5.094 -5.540 1.00 50.35 N ATOM 255 CA LEU A 17 5.615 -4.787 -4.910 1.00 45.32 C ATOM 256 C LEU A 17 6.079 -6.019 -4.156 1.00 65.43 C ATOM 257 O LEU A 17 5.577 -6.304 -3.071 1.00 10.11 O ATOM 258 CB LEU A 17 5.449 -3.582 -3.992 1.00 43.43 C ATOM 259 CG LEU A 17 6.732 -3.228 -3.212 1.00 64.43 C ATOM 260 CD1 LEU A 17 8.001 -3.247 -4.067 1.00 41.12 C ATOM 261 CD2 LEU A 17 6.577 -1.825 -2.632 1.00 62.13 C ATOM 0 H LEU A 17 3.543 -4.733 -5.034 1.00 50.35 H new ATOM 0 HA LEU A 17 6.371 -4.526 -5.650 1.00 45.32 H new ATOM 0 HB2 LEU A 17 5.144 -2.721 -4.586 1.00 43.43 H new ATOM 0 HB3 LEU A 17 4.645 -3.782 -3.284 1.00 43.43 H new ATOM 0 HG LEU A 17 6.849 -3.990 -2.442 1.00 64.43 H new ATOM 0 HD11 LEU A 17 8.860 -2.988 -3.448 1.00 41.12 H new ATOM 0 HD12 LEU A 17 8.143 -4.243 -4.486 1.00 41.12 H new ATOM 0 HD13 LEU A 17 7.905 -2.523 -4.876 1.00 41.12 H new ATOM 0 HD21 LEU A 17 7.477 -1.559 -2.077 1.00 62.13 H new ATOM 0 HD22 LEU A 17 6.426 -1.111 -3.442 1.00 62.13 H new ATOM 0 HD23 LEU A 17 5.717 -1.801 -1.962 1.00 62.13 H new ATOM 273 N THR A 18 7.014 -6.765 -4.736 1.00 42.42 N ATOM 274 CA THR A 18 7.580 -7.910 -4.039 1.00 44.12 C ATOM 275 C THR A 18 8.821 -7.445 -3.298 1.00 44.32 C ATOM 276 O THR A 18 9.638 -6.706 -3.855 1.00 54.23 O ATOM 277 CB THR A 18 7.839 -9.054 -5.014 1.00 32.10 C ATOM 278 OG1 THR A 18 6.617 -9.371 -5.629 1.00 54.24 O ATOM 279 CG2 THR A 18 8.372 -10.320 -4.351 1.00 51.05 C ATOM 0 H THR A 18 7.389 -6.600 -5.670 1.00 42.42 H new ATOM 0 HA THR A 18 6.882 -8.310 -3.304 1.00 44.12 H new ATOM 0 HB THR A 18 8.601 -8.716 -5.716 1.00 32.10 H new ATOM 0 HG1 THR A 18 6.710 -10.209 -6.128 1.00 54.24 H new ATOM 0 HG21 THR A 18 8.531 -11.088 -5.108 1.00 51.05 H new ATOM 0 HG22 THR A 18 9.316 -10.100 -3.853 1.00 51.05 H new ATOM 0 HG23 THR A 18 7.650 -10.678 -3.617 1.00 51.05 H new ATOM 287 N LEU A 19 8.942 -7.874 -2.044 1.00 23.31 N ATOM 288 CA LEU A 19 10.037 -7.537 -1.151 1.00 33.50 C ATOM 289 C LEU A 19 10.604 -8.833 -0.565 1.00 61.54 C ATOM 290 O LEU A 19 9.993 -9.897 -0.684 1.00 51.15 O ATOM 291 CB LEU A 19 9.531 -6.578 -0.058 1.00 14.41 C ATOM 292 CG LEU A 19 9.133 -5.169 -0.539 1.00 25.53 C ATOM 293 CD1 LEU A 19 8.538 -4.386 0.637 1.00 54.13 C ATOM 294 CD2 LEU A 19 10.328 -4.383 -1.097 1.00 5.02 C ATOM 0 H LEU A 19 8.253 -8.488 -1.610 1.00 23.31 H new ATOM 0 HA LEU A 19 10.836 -7.026 -1.687 1.00 33.50 H new ATOM 0 HB2 LEU A 19 8.668 -7.033 0.428 1.00 14.41 H new ATOM 0 HB3 LEU A 19 10.308 -6.477 0.700 1.00 14.41 H new ATOM 0 HG LEU A 19 8.406 -5.291 -1.342 1.00 25.53 H new ATOM 0 HD11 LEU A 19 8.254 -3.388 0.303 1.00 54.13 H new ATOM 0 HD12 LEU A 19 7.657 -4.907 1.013 1.00 54.13 H new ATOM 0 HD13 LEU A 19 9.279 -4.306 1.433 1.00 54.13 H new ATOM 0 HD21 LEU A 19 9.995 -3.397 -1.422 1.00 5.02 H new ATOM 0 HD22 LEU A 19 11.085 -4.272 -0.321 1.00 5.02 H new ATOM 0 HD23 LEU A 19 10.753 -4.920 -1.945 1.00 5.02 H new ATOM 306 N ARG A 20 11.804 -8.757 0.017 1.00 43.05 N ATOM 307 CA ARG A 20 12.562 -9.874 0.578 1.00 63.33 C ATOM 308 C ARG A 20 12.880 -9.626 2.056 1.00 42.05 C ATOM 309 O ARG A 20 14.008 -9.265 2.394 1.00 24.40 O ATOM 310 CB ARG A 20 13.828 -10.106 -0.265 1.00 22.12 C ATOM 311 CG ARG A 20 14.560 -11.382 0.165 1.00 54.41 C ATOM 312 CD ARG A 20 15.852 -11.565 -0.639 1.00 52.15 C ATOM 313 NE ARG A 20 16.953 -10.837 -0.003 1.00 45.43 N ATOM 314 CZ ARG A 20 18.156 -11.316 0.324 1.00 30.34 C ATOM 315 NH1 ARG A 20 18.588 -12.503 -0.080 1.00 11.33 N ATOM 316 NH2 ARG A 20 18.925 -10.571 1.098 1.00 62.35 N ATOM 0 H ARG A 20 12.296 -7.869 0.113 1.00 43.05 H new ATOM 0 HA ARG A 20 11.962 -10.783 0.539 1.00 63.33 H new ATOM 0 HB2 ARG A 20 13.557 -10.177 -1.318 1.00 22.12 H new ATOM 0 HB3 ARG A 20 14.496 -9.250 -0.165 1.00 22.12 H new ATOM 0 HG2 ARG A 20 14.792 -11.333 1.229 1.00 54.41 H new ATOM 0 HG3 ARG A 20 13.911 -12.246 0.020 1.00 54.41 H new ATOM 0 HD2 ARG A 20 16.099 -12.624 -0.708 1.00 52.15 H new ATOM 0 HD3 ARG A 20 15.709 -11.205 -1.658 1.00 52.15 H new ATOM 0 HE ARG A 20 16.782 -9.855 0.214 1.00 45.43 H new ATOM 0 HH11 ARG A 20 17.993 -13.090 -0.665 1.00 11.33 H new ATOM 0 HH12 ARG A 20 19.515 -12.829 0.194 1.00 11.33 H new ATOM 0 HH21 ARG A 20 18.593 -9.663 1.425 1.00 62.35 H new ATOM 0 HH22 ARG A 20 19.850 -10.903 1.369 1.00 62.35 H new ATOM 330 N TYR A 21 11.893 -9.728 2.936 1.00 44.15 N ATOM 331 CA TYR A 21 12.020 -9.511 4.369 1.00 31.14 C ATOM 332 C TYR A 21 12.915 -10.608 4.939 1.00 30.23 C ATOM 333 O TYR A 21 12.460 -11.715 5.223 1.00 25.22 O ATOM 334 CB TYR A 21 10.642 -9.471 5.041 1.00 22.34 C ATOM 335 CG TYR A 21 10.705 -9.043 6.498 1.00 62.45 C ATOM 336 CD1 TYR A 21 10.905 -10.008 7.500 1.00 21.21 C ATOM 337 CD2 TYR A 21 10.592 -7.687 6.860 1.00 5.43 C ATOM 338 CE1 TYR A 21 10.945 -9.630 8.851 1.00 51.22 C ATOM 339 CE2 TYR A 21 10.646 -7.294 8.207 1.00 72.34 C ATOM 340 CZ TYR A 21 10.774 -8.277 9.213 1.00 42.23 C ATOM 341 OH TYR A 21 10.724 -7.926 10.525 1.00 52.32 O ATOM 0 H TYR A 21 10.943 -9.974 2.658 1.00 44.15 H new ATOM 0 HA TYR A 21 12.479 -8.543 4.568 1.00 31.14 H new ATOM 0 HB2 TYR A 21 9.997 -8.784 4.494 1.00 22.34 H new ATOM 0 HB3 TYR A 21 10.184 -10.458 4.977 1.00 22.34 H new ATOM 0 HD1 TYR A 21 11.029 -11.046 7.229 1.00 21.21 H new ATOM 0 HD2 TYR A 21 10.462 -6.939 6.092 1.00 5.43 H new ATOM 0 HE1 TYR A 21 11.107 -10.376 9.615 1.00 51.22 H new ATOM 0 HE2 TYR A 21 10.590 -6.248 8.472 1.00 72.34 H new ATOM 0 HH TYR A 21 10.603 -6.956 10.600 1.00 52.32 H new ATOM 351 N GLY A 22 14.208 -10.316 5.062 1.00 73.25 N ATOM 352 CA GLY A 22 15.206 -11.294 5.438 1.00 4.30 C ATOM 353 C GLY A 22 15.271 -12.421 4.421 1.00 50.41 C ATOM 354 O GLY A 22 15.834 -12.265 3.333 1.00 45.33 O ATOM 0 H GLY A 22 14.588 -9.383 4.900 1.00 73.25 H new ATOM 0 HA2 GLY A 22 16.181 -10.813 5.516 1.00 4.30 H new ATOM 0 HA3 GLY A 22 14.971 -11.700 6.422 1.00 4.30 H new ATOM 358 N GLU A 23 14.675 -13.549 4.773 1.00 64.14 N ATOM 359 CA GLU A 23 14.642 -14.735 3.943 1.00 42.13 C ATOM 360 C GLU A 23 13.378 -14.792 3.079 1.00 62.41 C ATOM 361 O GLU A 23 13.391 -15.400 2.008 1.00 41.33 O ATOM 362 CB GLU A 23 14.878 -15.961 4.810 1.00 41.14 C ATOM 363 CG GLU A 23 13.651 -16.269 5.639 1.00 43.22 C ATOM 364 CD GLU A 23 13.772 -17.640 6.263 1.00 21.54 C ATOM 365 OE1 GLU A 23 14.369 -17.769 7.355 1.00 71.11 O ATOM 366 OE2 GLU A 23 13.310 -18.617 5.631 1.00 4.44 O ATOM 0 H GLU A 23 14.191 -13.664 5.664 1.00 64.14 H new ATOM 0 HA GLU A 23 15.453 -14.704 3.216 1.00 42.13 H new ATOM 0 HB2 GLU A 23 15.123 -16.817 4.181 1.00 41.14 H new ATOM 0 HB3 GLU A 23 15.733 -15.791 5.465 1.00 41.14 H new ATOM 0 HG2 GLU A 23 13.532 -15.516 6.418 1.00 43.22 H new ATOM 0 HG3 GLU A 23 12.760 -16.224 5.013 1.00 43.22 H new ATOM 373 N ASP A 24 12.298 -14.171 3.547 1.00 11.24 N ATOM 374 CA ASP A 24 10.949 -14.535 3.105 1.00 31.52 C ATOM 375 C ASP A 24 10.548 -13.696 1.898 1.00 74.45 C ATOM 376 O ASP A 24 11.098 -12.612 1.684 1.00 70.24 O ATOM 377 CB ASP A 24 9.938 -14.335 4.249 1.00 54.15 C ATOM 378 CG ASP A 24 9.894 -15.529 5.203 1.00 14.13 C ATOM 379 OD1 ASP A 24 9.529 -16.642 4.763 1.00 50.43 O ATOM 380 OD2 ASP A 24 10.214 -15.360 6.400 1.00 63.14 O ATOM 0 H ASP A 24 12.328 -13.415 4.231 1.00 11.24 H new ATOM 0 HA ASP A 24 10.948 -15.587 2.819 1.00 31.52 H new ATOM 0 HB2 ASP A 24 10.199 -13.436 4.808 1.00 54.15 H new ATOM 0 HB3 ASP A 24 8.945 -14.172 3.829 1.00 54.15 H new ATOM 385 N SER A 25 9.534 -14.115 1.140 1.00 54.13 N ATOM 386 CA SER A 25 9.057 -13.429 -0.042 1.00 62.15 C ATOM 387 C SER A 25 7.580 -13.112 0.094 1.00 70.32 C ATOM 388 O SER A 25 6.756 -14.015 0.213 1.00 52.02 O ATOM 389 CB SER A 25 9.287 -14.292 -1.279 1.00 71.21 C ATOM 390 OG SER A 25 10.273 -15.294 -1.088 1.00 63.13 O ATOM 0 H SER A 25 9.012 -14.967 1.345 1.00 54.13 H new ATOM 0 HA SER A 25 9.611 -12.496 -0.149 1.00 62.15 H new ATOM 0 HB2 SER A 25 8.347 -14.766 -1.563 1.00 71.21 H new ATOM 0 HB3 SER A 25 9.585 -13.652 -2.110 1.00 71.21 H new ATOM 0 HG SER A 25 10.375 -15.814 -1.912 1.00 63.13 H new ATOM 396 N TYR A 26 7.270 -11.826 0.098 1.00 32.23 N ATOM 397 CA TYR A 26 5.948 -11.245 0.224 1.00 25.52 C ATOM 398 C TYR A 26 5.701 -10.448 -1.056 1.00 30.21 C ATOM 399 O TYR A 26 6.496 -9.558 -1.368 1.00 22.20 O ATOM 400 CB TYR A 26 5.936 -10.347 1.477 1.00 72.51 C ATOM 401 CG TYR A 26 6.404 -10.978 2.786 1.00 53.04 C ATOM 402 CD1 TYR A 26 6.281 -12.356 3.026 1.00 64.15 C ATOM 403 CD2 TYR A 26 7.010 -10.181 3.771 1.00 1.40 C ATOM 404 CE1 TYR A 26 6.667 -12.914 4.256 1.00 25.21 C ATOM 405 CE2 TYR A 26 7.410 -10.725 5.002 1.00 23.31 C ATOM 406 CZ TYR A 26 7.192 -12.090 5.276 1.00 24.53 C ATOM 407 OH TYR A 26 7.471 -12.587 6.511 1.00 54.41 O ATOM 0 H TYR A 26 7.991 -11.110 0.006 1.00 32.23 H new ATOM 0 HA TYR A 26 5.161 -11.990 0.343 1.00 25.52 H new ATOM 0 HB2 TYR A 26 6.562 -9.478 1.277 1.00 72.51 H new ATOM 0 HB3 TYR A 26 4.920 -9.981 1.622 1.00 72.51 H new ATOM 0 HD1 TYR A 26 5.883 -12.997 2.253 1.00 64.15 H new ATOM 0 HD2 TYR A 26 7.171 -9.131 3.578 1.00 1.40 H new ATOM 0 HE1 TYR A 26 6.562 -13.976 4.422 1.00 25.21 H new ATOM 0 HE2 TYR A 26 7.886 -10.096 5.740 1.00 23.31 H new ATOM 0 HH TYR A 26 7.826 -11.872 7.079 1.00 54.41 H new ATOM 417 N ASP A 27 4.628 -10.746 -1.796 1.00 45.02 N ATOM 418 CA ASP A 27 4.270 -10.072 -3.045 1.00 34.24 C ATOM 419 C ASP A 27 3.085 -9.146 -2.793 1.00 73.22 C ATOM 420 O ASP A 27 1.933 -9.459 -3.086 1.00 33.33 O ATOM 421 CB ASP A 27 4.206 -11.039 -4.256 1.00 50.33 C ATOM 422 CG ASP A 27 2.915 -11.808 -4.591 1.00 61.24 C ATOM 423 OD1 ASP A 27 2.357 -12.493 -3.709 1.00 14.44 O ATOM 424 OD2 ASP A 27 2.530 -11.845 -5.793 1.00 25.21 O ATOM 0 H ASP A 27 3.970 -11.480 -1.535 1.00 45.02 H new ATOM 0 HA ASP A 27 5.069 -9.408 -3.376 1.00 34.24 H new ATOM 0 HB2 ASP A 27 4.471 -10.460 -5.141 1.00 50.33 H new ATOM 0 HB3 ASP A 27 4.991 -11.781 -4.113 1.00 50.33 H new ATOM 429 N LEU A 28 3.366 -7.999 -2.161 1.00 71.43 N ATOM 430 CA LEU A 28 2.319 -7.102 -1.697 1.00 33.33 C ATOM 431 C LEU A 28 1.703 -6.367 -2.891 1.00 24.43 C ATOM 432 O LEU A 28 2.428 -5.937 -3.787 1.00 24.15 O ATOM 433 CB LEU A 28 2.904 -6.090 -0.696 1.00 62.54 C ATOM 434 CG LEU A 28 3.422 -6.799 0.572 1.00 43.12 C ATOM 435 CD1 LEU A 28 4.946 -6.932 0.609 1.00 25.53 C ATOM 436 CD2 LEU A 28 2.953 -6.089 1.835 1.00 2.15 C ATOM 0 H LEU A 28 4.313 -7.677 -1.963 1.00 71.43 H new ATOM 0 HA LEU A 28 1.542 -7.682 -1.198 1.00 33.33 H new ATOM 0 HB2 LEU A 28 3.718 -5.538 -1.166 1.00 62.54 H new ATOM 0 HB3 LEU A 28 2.141 -5.361 -0.423 1.00 62.54 H new ATOM 0 HG LEU A 28 3.000 -7.803 0.534 1.00 43.12 H new ATOM 0 HD11 LEU A 28 5.245 -7.439 1.526 1.00 25.53 H new ATOM 0 HD12 LEU A 28 5.282 -7.511 -0.252 1.00 25.53 H new ATOM 0 HD13 LEU A 28 5.399 -5.941 0.579 1.00 25.53 H new ATOM 0 HD21 LEU A 28 3.335 -6.614 2.711 1.00 2.15 H new ATOM 0 HD22 LEU A 28 3.324 -5.064 1.835 1.00 2.15 H new ATOM 0 HD23 LEU A 28 1.863 -6.080 1.864 1.00 2.15 H new ATOM 448 N PRO A 29 0.390 -6.115 -2.897 1.00 22.22 N ATOM 449 CA PRO A 29 -0.266 -5.510 -4.048 1.00 41.44 C ATOM 450 C PRO A 29 -0.196 -3.987 -4.027 1.00 52.12 C ATOM 451 O PRO A 29 -0.076 -3.375 -2.963 1.00 4.01 O ATOM 452 CB PRO A 29 -1.713 -5.951 -3.942 1.00 74.33 C ATOM 453 CG PRO A 29 -1.935 -6.176 -2.455 1.00 33.11 C ATOM 454 CD PRO A 29 -0.580 -6.655 -1.963 1.00 52.10 C ATOM 0 HA PRO A 29 0.219 -5.820 -4.974 1.00 41.44 H new ATOM 0 HB2 PRO A 29 -2.389 -5.191 -4.334 1.00 74.33 H new ATOM 0 HB3 PRO A 29 -1.893 -6.862 -4.512 1.00 74.33 H new ATOM 0 HG2 PRO A 29 -2.244 -5.260 -1.952 1.00 33.11 H new ATOM 0 HG3 PRO A 29 -2.713 -6.917 -2.273 1.00 33.11 H new ATOM 0 HD2 PRO A 29 -0.385 -6.304 -0.950 1.00 52.10 H new ATOM 0 HD3 PRO A 29 -0.535 -7.744 -1.938 1.00 52.10 H new ATOM 462 N ALA A 30 -0.381 -3.361 -5.194 1.00 10.13 N ATOM 463 CA ALA A 30 -0.404 -1.911 -5.319 1.00 3.13 C ATOM 464 C ALA A 30 -1.459 -1.272 -4.403 1.00 54.04 C ATOM 465 O ALA A 30 -1.152 -0.249 -3.785 1.00 2.14 O ATOM 466 CB ALA A 30 -0.577 -1.495 -6.789 1.00 71.30 C ATOM 0 H ALA A 30 -0.519 -3.852 -6.077 1.00 10.13 H new ATOM 0 HA ALA A 30 0.560 -1.530 -4.982 1.00 3.13 H new ATOM 0 HB1 ALA A 30 -0.592 -0.407 -6.860 1.00 71.30 H new ATOM 0 HB2 ALA A 30 0.253 -1.886 -7.378 1.00 71.30 H new ATOM 0 HB3 ALA A 30 -1.515 -1.896 -7.173 1.00 71.30 H new ATOM 472 N GLU A 31 -2.668 -1.849 -4.262 1.00 24.34 N ATOM 473 CA GLU A 31 -3.669 -1.221 -3.401 1.00 54.42 C ATOM 474 C GLU A 31 -3.228 -1.191 -1.945 1.00 64.12 C ATOM 475 O GLU A 31 -3.454 -0.175 -1.288 1.00 62.11 O ATOM 476 CB GLU A 31 -5.085 -1.809 -3.512 1.00 13.35 C ATOM 477 CG GLU A 31 -5.383 -3.182 -2.883 1.00 22.34 C ATOM 478 CD GLU A 31 -4.824 -4.378 -3.634 1.00 25.51 C ATOM 479 OE1 GLU A 31 -4.470 -4.182 -4.815 1.00 73.31 O ATOM 480 OE2 GLU A 31 -4.813 -5.490 -3.051 1.00 42.34 O ATOM 0 H GLU A 31 -2.961 -2.714 -4.716 1.00 24.34 H new ATOM 0 HA GLU A 31 -3.738 -0.202 -3.781 1.00 54.42 H new ATOM 0 HB2 GLU A 31 -5.774 -1.090 -3.069 1.00 13.35 H new ATOM 0 HB3 GLU A 31 -5.330 -1.874 -4.572 1.00 13.35 H new ATOM 0 HG2 GLU A 31 -4.984 -3.192 -1.869 1.00 22.34 H new ATOM 0 HG3 GLU A 31 -6.464 -3.298 -2.801 1.00 22.34 H new ATOM 487 N PHE A 32 -2.598 -2.265 -1.443 1.00 1.05 N ATOM 488 CA PHE A 32 -2.237 -2.346 -0.025 1.00 25.32 C ATOM 489 C PHE A 32 -1.361 -1.156 0.384 1.00 65.44 C ATOM 490 O PHE A 32 -1.536 -0.591 1.462 1.00 62.11 O ATOM 491 CB PHE A 32 -1.560 -3.696 0.254 1.00 44.30 C ATOM 492 CG PHE A 32 -0.834 -3.804 1.579 1.00 10.01 C ATOM 493 CD1 PHE A 32 0.524 -3.441 1.647 1.00 51.22 C ATOM 494 CD2 PHE A 32 -1.490 -4.274 2.735 1.00 65.52 C ATOM 495 CE1 PHE A 32 1.227 -3.556 2.853 1.00 5.43 C ATOM 496 CE2 PHE A 32 -0.774 -4.406 3.937 1.00 51.12 C ATOM 497 CZ PHE A 32 0.587 -4.064 3.991 1.00 34.53 C ATOM 0 H PHE A 32 -2.332 -3.081 -1.995 1.00 1.05 H new ATOM 0 HA PHE A 32 -3.138 -2.290 0.586 1.00 25.32 H new ATOM 0 HB2 PHE A 32 -2.318 -4.478 0.211 1.00 44.30 H new ATOM 0 HB3 PHE A 32 -0.849 -3.898 -0.547 1.00 44.30 H new ATOM 0 HD1 PHE A 32 1.026 -3.072 0.765 1.00 51.22 H new ATOM 0 HD2 PHE A 32 -2.538 -4.531 2.697 1.00 65.52 H new ATOM 0 HE1 PHE A 32 2.262 -3.253 2.906 1.00 5.43 H new ATOM 0 HE2 PHE A 32 -1.272 -4.772 4.823 1.00 51.12 H new ATOM 0 HZ PHE A 32 1.140 -4.193 4.910 1.00 34.53 H new ATOM 507 N LEU A 33 -0.445 -0.741 -0.495 1.00 32.14 N ATOM 508 CA LEU A 33 0.428 0.391 -0.225 1.00 1.22 C ATOM 509 C LEU A 33 -0.313 1.716 -0.284 1.00 3.04 C ATOM 510 O LEU A 33 -0.106 2.544 0.596 1.00 53.43 O ATOM 511 CB LEU A 33 1.599 0.410 -1.201 1.00 23.14 C ATOM 512 CG LEU A 33 2.636 -0.652 -0.801 1.00 50.22 C ATOM 513 CD1 LEU A 33 2.545 -1.881 -1.703 1.00 53.42 C ATOM 514 CD2 LEU A 33 4.023 -0.027 -0.827 1.00 10.11 C ATOM 0 H LEU A 33 -0.293 -1.179 -1.404 1.00 32.14 H new ATOM 0 HA LEU A 33 0.804 0.266 0.791 1.00 1.22 H new ATOM 0 HB2 LEU A 33 1.242 0.218 -2.213 1.00 23.14 H new ATOM 0 HB3 LEU A 33 2.061 1.397 -1.207 1.00 23.14 H new ATOM 0 HG LEU A 33 2.429 -0.998 0.212 1.00 50.22 H new ATOM 0 HD11 LEU A 33 3.291 -2.614 -1.395 1.00 53.42 H new ATOM 0 HD12 LEU A 33 1.550 -2.319 -1.622 1.00 53.42 H new ATOM 0 HD13 LEU A 33 2.729 -1.588 -2.737 1.00 53.42 H new ATOM 0 HD21 LEU A 33 4.764 -0.774 -0.544 1.00 10.11 H new ATOM 0 HD22 LEU A 33 4.239 0.337 -1.831 1.00 10.11 H new ATOM 0 HD23 LEU A 33 4.060 0.805 -0.124 1.00 10.11 H new ATOM 526 N ARG A 34 -1.164 1.942 -1.289 1.00 31.45 N ATOM 527 CA ARG A 34 -1.908 3.198 -1.408 1.00 3.23 C ATOM 528 C ARG A 34 -2.749 3.438 -0.153 1.00 21.11 C ATOM 529 O ARG A 34 -2.708 4.523 0.415 1.00 65.23 O ATOM 530 CB ARG A 34 -2.734 3.178 -2.706 1.00 43.40 C ATOM 531 CG ARG A 34 -3.732 4.335 -2.882 1.00 22.24 C ATOM 532 CD ARG A 34 -3.114 5.744 -2.946 1.00 41.41 C ATOM 533 NE ARG A 34 -3.335 6.490 -1.694 1.00 42.33 N ATOM 534 CZ ARG A 34 -2.541 7.416 -1.148 1.00 53.12 C ATOM 535 NH1 ARG A 34 -1.501 7.920 -1.791 1.00 30.13 N ATOM 536 NH2 ARG A 34 -2.778 7.858 0.077 1.00 74.51 N ATOM 0 H ARG A 34 -1.355 1.270 -2.033 1.00 31.45 H new ATOM 0 HA ARG A 34 -1.223 4.043 -1.477 1.00 3.23 H new ATOM 0 HB2 ARG A 34 -2.047 3.184 -3.552 1.00 43.40 H new ATOM 0 HB3 ARG A 34 -3.285 2.238 -2.750 1.00 43.40 H new ATOM 0 HG2 ARG A 34 -4.300 4.165 -3.797 1.00 22.24 H new ATOM 0 HG3 ARG A 34 -4.443 4.307 -2.056 1.00 22.24 H new ATOM 0 HD2 ARG A 34 -2.044 5.664 -3.139 1.00 41.41 H new ATOM 0 HD3 ARG A 34 -3.548 6.295 -3.780 1.00 41.41 H new ATOM 0 HE ARG A 34 -4.193 6.275 -1.186 1.00 42.33 H new ATOM 0 HH11 ARG A 34 -1.283 7.603 -2.736 1.00 30.13 H new ATOM 0 HH12 ARG A 34 -0.917 8.626 -1.342 1.00 30.13 H new ATOM 0 HH21 ARG A 34 -3.569 7.492 0.607 1.00 74.51 H new ATOM 0 HH22 ARG A 34 -2.170 8.565 0.491 1.00 74.51 H new ATOM 550 N VAL A 35 -3.510 2.441 0.302 1.00 3.25 N ATOM 551 CA VAL A 35 -4.370 2.607 1.478 1.00 23.35 C ATOM 552 C VAL A 35 -3.545 2.797 2.767 1.00 10.11 C ATOM 553 O VAL A 35 -4.028 3.452 3.691 1.00 63.22 O ATOM 554 CB VAL A 35 -5.422 1.484 1.534 1.00 5.33 C ATOM 555 CG1 VAL A 35 -6.164 1.421 0.180 1.00 22.33 C ATOM 556 CG2 VAL A 35 -4.870 0.095 1.874 1.00 65.31 C ATOM 0 H VAL A 35 -3.549 1.514 -0.122 1.00 3.25 H new ATOM 0 HA VAL A 35 -4.935 3.535 1.387 1.00 23.35 H new ATOM 0 HB VAL A 35 -6.091 1.743 2.355 1.00 5.33 H new ATOM 0 HG11 VAL A 35 -6.911 0.628 0.211 1.00 22.33 H new ATOM 0 HG12 VAL A 35 -6.655 2.375 -0.010 1.00 22.33 H new ATOM 0 HG13 VAL A 35 -5.450 1.215 -0.617 1.00 22.33 H new ATOM 0 HG21 VAL A 35 -5.686 -0.627 1.890 1.00 65.31 H new ATOM 0 HG22 VAL A 35 -4.139 -0.200 1.121 1.00 65.31 H new ATOM 0 HG23 VAL A 35 -4.392 0.123 2.853 1.00 65.31 H new ATOM 566 N HIS A 36 -2.288 2.328 2.809 1.00 31.31 N ATOM 567 CA HIS A 36 -1.349 2.519 3.916 1.00 70.13 C ATOM 568 C HIS A 36 -0.175 3.390 3.440 1.00 22.44 C ATOM 569 O HIS A 36 0.993 2.991 3.541 1.00 3.12 O ATOM 570 CB HIS A 36 -0.933 1.161 4.513 1.00 11.15 C ATOM 571 CG HIS A 36 -0.553 1.257 5.983 1.00 23.41 C ATOM 572 ND1 HIS A 36 0.438 2.052 6.505 1.00 41.14 N ATOM 573 CD2 HIS A 36 -1.179 0.669 7.055 1.00 71.52 C ATOM 574 CE1 HIS A 36 0.393 1.978 7.842 1.00 54.13 C ATOM 575 NE2 HIS A 36 -0.589 1.152 8.226 1.00 2.04 N ATOM 0 H HIS A 36 -1.887 1.786 2.043 1.00 31.31 H new ATOM 0 HA HIS A 36 -1.823 3.058 4.736 1.00 70.13 H new ATOM 0 HB2 HIS A 36 -1.753 0.452 4.400 1.00 11.15 H new ATOM 0 HB3 HIS A 36 -0.089 0.764 3.949 1.00 11.15 H new ATOM 0 HD1 HIS A 36 1.100 2.608 5.963 1.00 41.14 H new ATOM 0 HD2 HIS A 36 -1.988 -0.044 7.002 1.00 71.52 H new ATOM 0 HE1 HIS A 36 1.053 2.508 8.513 1.00 54.13 H new ATOM 583 N SER A 37 -0.459 4.571 2.882 1.00 51.12 N ATOM 584 CA SER A 37 0.574 5.509 2.460 1.00 54.45 C ATOM 585 C SER A 37 0.621 6.661 3.478 1.00 53.33 C ATOM 586 O SER A 37 -0.427 7.141 3.916 1.00 44.41 O ATOM 587 CB SER A 37 0.193 5.980 1.048 1.00 72.23 C ATOM 588 OG SER A 37 0.935 7.091 0.575 1.00 61.54 O ATOM 0 H SER A 37 -1.410 4.899 2.713 1.00 51.12 H new ATOM 0 HA SER A 37 1.569 5.066 2.425 1.00 54.45 H new ATOM 0 HB2 SER A 37 0.326 5.150 0.354 1.00 72.23 H new ATOM 0 HB3 SER A 37 -0.866 6.237 1.039 1.00 72.23 H new ATOM 0 HG SER A 37 1.839 6.801 0.332 1.00 61.54 H new ATOM 594 N PRO A 38 1.809 7.192 3.806 1.00 30.10 N ATOM 595 CA PRO A 38 1.951 8.317 4.716 1.00 51.23 C ATOM 596 C PRO A 38 1.759 9.605 3.915 1.00 43.01 C ATOM 597 O PRO A 38 2.502 9.867 2.960 1.00 12.41 O ATOM 598 CB PRO A 38 3.349 8.158 5.308 1.00 33.24 C ATOM 599 CG PRO A 38 4.156 7.494 4.195 1.00 53.43 C ATOM 600 CD PRO A 38 3.113 6.624 3.499 1.00 73.33 C ATOM 0 HA PRO A 38 1.218 8.355 5.522 1.00 51.23 H new ATOM 0 HB2 PRO A 38 3.775 9.122 5.588 1.00 33.24 H new ATOM 0 HB3 PRO A 38 3.332 7.544 6.208 1.00 33.24 H new ATOM 0 HG2 PRO A 38 4.590 8.228 3.516 1.00 53.43 H new ATOM 0 HG3 PRO A 38 4.980 6.900 4.591 1.00 53.43 H new ATOM 0 HD2 PRO A 38 3.282 6.607 2.422 1.00 73.33 H new ATOM 0 HD3 PRO A 38 3.176 5.593 3.848 1.00 73.33 H new ATOM 608 N SER A 39 0.735 10.391 4.241 1.00 30.23 N ATOM 609 CA SER A 39 0.335 11.510 3.403 1.00 2.43 C ATOM 610 C SER A 39 1.371 12.631 3.506 1.00 52.34 C ATOM 611 O SER A 39 1.426 13.397 4.472 1.00 31.43 O ATOM 612 CB SER A 39 -1.072 11.977 3.750 1.00 42.25 C ATOM 613 OG SER A 39 -1.632 12.639 2.637 1.00 42.34 O ATOM 0 H SER A 39 0.169 10.270 5.081 1.00 30.23 H new ATOM 0 HA SER A 39 0.301 11.188 2.362 1.00 2.43 H new ATOM 0 HB2 SER A 39 -1.691 11.125 4.030 1.00 42.25 H new ATOM 0 HB3 SER A 39 -1.044 12.647 4.609 1.00 42.25 H new ATOM 0 HG SER A 39 -2.539 12.939 2.857 1.00 42.34 H new ATOM 619 N ALA A 40 2.236 12.708 2.498 1.00 51.44 N ATOM 620 CA ALA A 40 3.318 13.681 2.460 1.00 72.14 C ATOM 621 C ALA A 40 2.807 15.095 2.155 1.00 53.32 C ATOM 622 O ALA A 40 3.538 16.051 2.419 1.00 55.11 O ATOM 623 CB ALA A 40 4.425 13.260 1.490 1.00 71.51 C ATOM 0 H ALA A 40 2.204 12.095 1.684 1.00 51.44 H new ATOM 0 HA ALA A 40 3.755 13.708 3.458 1.00 72.14 H new ATOM 0 HB1 ALA A 40 5.214 14.012 1.490 1.00 71.51 H new ATOM 0 HB2 ALA A 40 4.838 12.301 1.803 1.00 71.51 H new ATOM 0 HB3 ALA A 40 4.013 13.167 0.485 1.00 71.51 H new ATOM 629 N GLU A 41 1.548 15.268 1.728 1.00 20.11 N ATOM 630 CA GLU A 41 1.038 16.569 1.267 1.00 24.43 C ATOM 631 C GLU A 41 0.563 17.453 2.423 1.00 3.30 C ATOM 632 O GLU A 41 -0.018 18.519 2.231 1.00 44.22 O ATOM 633 CB GLU A 41 -0.191 16.348 0.355 1.00 22.42 C ATOM 634 CG GLU A 41 -0.063 15.334 -0.789 1.00 75.42 C ATOM 635 CD GLU A 41 0.629 15.893 -2.021 1.00 13.03 C ATOM 636 OE1 GLU A 41 -0.066 16.505 -2.865 1.00 51.13 O ATOM 637 OE2 GLU A 41 1.834 15.609 -2.196 1.00 12.41 O ATOM 0 H GLU A 41 0.859 14.517 1.692 1.00 20.11 H new ATOM 0 HA GLU A 41 1.862 17.057 0.747 1.00 24.43 H new ATOM 0 HB2 GLU A 41 -1.024 16.037 0.986 1.00 22.42 H new ATOM 0 HB3 GLU A 41 -0.462 17.310 -0.080 1.00 22.42 H new ATOM 0 HG2 GLU A 41 0.491 14.465 -0.434 1.00 75.42 H new ATOM 0 HG3 GLU A 41 -1.057 14.985 -1.068 1.00 75.42 H new ATOM 644 N VAL A 42 0.912 17.054 3.630 1.00 1.01 N ATOM 645 CA VAL A 42 0.237 17.432 4.871 1.00 75.41 C ATOM 646 C VAL A 42 1.208 18.164 5.804 1.00 20.44 C ATOM 647 O VAL A 42 0.819 18.667 6.860 1.00 62.21 O ATOM 648 CB VAL A 42 -0.430 16.171 5.465 1.00 13.22 C ATOM 649 CG1 VAL A 42 -1.299 16.464 6.691 1.00 32.52 C ATOM 650 CG2 VAL A 42 -1.335 15.493 4.420 1.00 10.42 C ATOM 0 H VAL A 42 1.705 16.432 3.787 1.00 1.01 H new ATOM 0 HA VAL A 42 -0.563 18.152 4.697 1.00 75.41 H new ATOM 0 HB VAL A 42 0.395 15.525 5.764 1.00 13.22 H new ATOM 0 HG11 VAL A 42 -1.737 15.535 7.057 1.00 32.52 H new ATOM 0 HG12 VAL A 42 -0.685 16.909 7.474 1.00 32.52 H new ATOM 0 HG13 VAL A 42 -2.095 17.156 6.416 1.00 32.52 H new ATOM 0 HG21 VAL A 42 -1.795 14.607 4.857 1.00 10.42 H new ATOM 0 HG22 VAL A 42 -2.113 16.189 4.106 1.00 10.42 H new ATOM 0 HG23 VAL A 42 -0.738 15.202 3.556 1.00 10.42 H new ATOM 660 N GLN A 43 2.467 18.297 5.378 1.00 51.02 N ATOM 661 CA GLN A 43 3.478 19.154 5.979 1.00 21.11 C ATOM 662 C GLN A 43 3.776 18.765 7.436 1.00 33.21 C ATOM 663 O GLN A 43 4.275 19.585 8.209 1.00 11.32 O ATOM 664 CB GLN A 43 3.080 20.631 5.773 1.00 15.40 C ATOM 665 CG GLN A 43 2.554 20.949 4.359 1.00 11.32 C ATOM 666 CD GLN A 43 3.460 20.400 3.256 1.00 64.32 C ATOM 667 OE1 GLN A 43 4.686 20.530 3.302 1.00 40.02 O ATOM 668 NE2 GLN A 43 2.892 19.736 2.262 1.00 24.51 N ATOM 0 H GLN A 43 2.819 17.785 4.569 1.00 51.02 H new ATOM 0 HA GLN A 43 4.433 19.009 5.474 1.00 21.11 H new ATOM 0 HB2 GLN A 43 2.314 20.895 6.502 1.00 15.40 H new ATOM 0 HB3 GLN A 43 3.945 21.261 5.978 1.00 15.40 H new ATOM 0 HG2 GLN A 43 1.554 20.530 4.245 1.00 11.32 H new ATOM 0 HG3 GLN A 43 2.462 22.029 4.244 1.00 11.32 H new ATOM 0 HE21 GLN A 43 1.878 19.633 2.231 1.00 24.51 H new ATOM 0 HE22 GLN A 43 3.469 19.327 1.527 1.00 24.51 H new ATOM 677 N GLY A 44 3.473 17.524 7.821 1.00 72.32 N ATOM 678 CA GLY A 44 3.670 16.991 9.153 1.00 61.34 C ATOM 679 C GLY A 44 2.737 15.819 9.359 1.00 24.54 C ATOM 680 O GLY A 44 3.140 14.684 9.111 1.00 44.14 O ATOM 0 H GLY A 44 3.067 16.842 7.180 1.00 72.32 H new ATOM 0 HA2 GLY A 44 4.705 16.675 9.282 1.00 61.34 H new ATOM 0 HA3 GLY A 44 3.476 17.762 9.899 1.00 61.34 H new ATOM 684 N HIS A 45 1.503 16.067 9.801 1.00 50.25 N ATOM 685 CA HIS A 45 0.480 15.038 9.927 1.00 71.43 C ATOM 686 C HIS A 45 -0.906 15.680 10.019 1.00 62.44 C ATOM 687 O HIS A 45 -1.046 16.903 10.135 1.00 24.23 O ATOM 688 CB HIS A 45 0.769 14.119 11.139 1.00 5.00 C ATOM 689 CG HIS A 45 0.907 12.650 10.794 1.00 71.15 C ATOM 690 ND1 HIS A 45 0.543 11.595 11.603 1.00 63.13 N ATOM 691 CD2 HIS A 45 1.441 12.118 9.647 1.00 33.10 C ATOM 692 CE1 HIS A 45 0.806 10.458 10.941 1.00 70.33 C ATOM 693 NE2 HIS A 45 1.333 10.724 9.732 1.00 14.04 N ATOM 0 H HIS A 45 1.187 16.995 10.082 1.00 50.25 H new ATOM 0 HA HIS A 45 0.500 14.411 9.036 1.00 71.43 H new ATOM 0 HB2 HIS A 45 1.687 14.454 11.622 1.00 5.00 H new ATOM 0 HB3 HIS A 45 -0.034 14.235 11.866 1.00 5.00 H new ATOM 0 HD2 HIS A 45 1.868 12.675 8.826 1.00 33.10 H new ATOM 0 HE1 HIS A 45 0.620 9.466 11.326 1.00 70.33 H new ATOM 0 HE2 HIS A 45 1.601 10.045 9.019 1.00 14.04 H new ATOM 701 N GLY A 46 -1.939 14.840 9.957 1.00 4.44 N ATOM 702 CA GLY A 46 -3.340 15.223 10.002 1.00 2.23 C ATOM 703 C GLY A 46 -4.181 14.049 10.485 1.00 43.02 C ATOM 704 O GLY A 46 -3.652 12.952 10.694 1.00 22.23 O ATOM 0 H GLY A 46 -1.811 13.832 9.870 1.00 4.44 H new ATOM 0 HA2 GLY A 46 -3.472 16.075 10.669 1.00 2.23 H new ATOM 0 HA3 GLY A 46 -3.672 15.538 9.013 1.00 2.23 H new ATOM 708 N ASN A 47 -5.483 14.267 10.676 1.00 71.12 N ATOM 709 CA ASN A 47 -6.418 13.203 11.048 1.00 61.11 C ATOM 710 C ASN A 47 -6.480 12.143 9.939 1.00 64.31 C ATOM 711 O ASN A 47 -6.207 12.475 8.775 1.00 45.14 O ATOM 712 CB ASN A 47 -7.812 13.787 11.334 1.00 63.52 C ATOM 713 CG ASN A 47 -8.491 14.335 10.090 1.00 14.23 C ATOM 714 OD1 ASN A 47 -8.267 15.486 9.726 1.00 30.31 O ATOM 715 ND2 ASN A 47 -9.259 13.549 9.365 1.00 74.50 N ATOM 0 H ASN A 47 -5.919 15.184 10.578 1.00 71.12 H new ATOM 0 HA ASN A 47 -6.062 12.723 11.960 1.00 61.11 H new ATOM 0 HB2 ASN A 47 -8.441 13.013 11.774 1.00 63.52 H new ATOM 0 HB3 ASN A 47 -7.722 14.583 12.073 1.00 63.52 H new ATOM 0 HD21 ASN A 47 -9.670 13.896 8.498 1.00 74.50 H new ATOM 0 HD22 ASN A 47 -9.443 12.593 9.670 1.00 74.50 H new ATOM 722 N PRO A 48 -6.843 10.889 10.263 1.00 71.32 N ATOM 723 CA PRO A 48 -6.902 9.819 9.285 1.00 13.14 C ATOM 724 C PRO A 48 -8.029 10.074 8.287 1.00 10.13 C ATOM 725 O PRO A 48 -8.973 10.815 8.567 1.00 5.43 O ATOM 726 CB PRO A 48 -7.097 8.519 10.076 1.00 44.24 C ATOM 727 CG PRO A 48 -7.802 8.991 11.343 1.00 61.21 C ATOM 728 CD PRO A 48 -7.181 10.368 11.576 1.00 34.33 C ATOM 0 HA PRO A 48 -5.990 9.756 8.692 1.00 13.14 H new ATOM 0 HB2 PRO A 48 -7.699 7.797 9.524 1.00 44.24 H new ATOM 0 HB3 PRO A 48 -6.146 8.036 10.299 1.00 44.24 H new ATOM 0 HG2 PRO A 48 -8.882 9.051 11.208 1.00 61.21 H new ATOM 0 HG3 PRO A 48 -7.623 8.318 12.182 1.00 61.21 H new ATOM 0 HD2 PRO A 48 -7.880 11.029 12.088 1.00 34.33 H new ATOM 0 HD3 PRO A 48 -6.294 10.293 12.205 1.00 34.33 H new ATOM 736 N VAL A 49 -7.901 9.453 7.121 1.00 32.51 N ATOM 737 CA VAL A 49 -8.836 9.521 6.006 1.00 22.51 C ATOM 738 C VAL A 49 -8.973 8.097 5.467 1.00 23.24 C ATOM 739 O VAL A 49 -8.007 7.325 5.493 1.00 74.44 O ATOM 740 CB VAL A 49 -8.296 10.511 4.947 1.00 10.25 C ATOM 741 CG1 VAL A 49 -9.067 10.462 3.624 1.00 22.42 C ATOM 742 CG2 VAL A 49 -8.286 11.951 5.488 1.00 10.15 C ATOM 0 H VAL A 49 -7.099 8.857 6.917 1.00 32.51 H new ATOM 0 HA VAL A 49 -9.818 9.890 6.302 1.00 22.51 H new ATOM 0 HB VAL A 49 -7.275 10.192 4.738 1.00 10.25 H new ATOM 0 HG11 VAL A 49 -8.637 11.180 2.926 1.00 22.42 H new ATOM 0 HG12 VAL A 49 -9.000 9.460 3.201 1.00 22.42 H new ATOM 0 HG13 VAL A 49 -10.113 10.711 3.803 1.00 22.42 H new ATOM 0 HG21 VAL A 49 -7.902 12.625 4.722 1.00 10.15 H new ATOM 0 HG22 VAL A 49 -9.301 12.246 5.755 1.00 10.15 H new ATOM 0 HG23 VAL A 49 -7.649 12.004 6.371 1.00 10.15 H new ATOM 752 N LEU A 50 -10.150 7.758 4.950 1.00 65.50 N ATOM 753 CA LEU A 50 -10.454 6.466 4.369 1.00 3.14 C ATOM 754 C LEU A 50 -9.964 6.440 2.926 1.00 62.14 C ATOM 755 O LEU A 50 -10.115 7.429 2.206 1.00 13.12 O ATOM 756 CB LEU A 50 -11.978 6.299 4.408 1.00 54.31 C ATOM 757 CG LEU A 50 -12.482 4.861 4.541 1.00 45.41 C ATOM 758 CD1 LEU A 50 -11.875 3.856 3.581 1.00 50.11 C ATOM 759 CD2 LEU A 50 -12.351 4.354 5.974 1.00 22.42 C ATOM 0 H LEU A 50 -10.941 8.401 4.926 1.00 65.50 H new ATOM 0 HA LEU A 50 -9.967 5.659 4.917 1.00 3.14 H new ATOM 0 HB2 LEU A 50 -12.368 6.880 5.243 1.00 54.31 H new ATOM 0 HB3 LEU A 50 -12.396 6.729 3.498 1.00 54.31 H new ATOM 0 HG LEU A 50 -13.532 4.932 4.259 1.00 45.41 H new ATOM 0 HD11 LEU A 50 -12.305 2.871 3.765 1.00 50.11 H new ATOM 0 HD12 LEU A 50 -12.087 4.158 2.555 1.00 50.11 H new ATOM 0 HD13 LEU A 50 -10.796 3.815 3.731 1.00 50.11 H new ATOM 0 HD21 LEU A 50 -12.718 3.329 6.032 1.00 22.42 H new ATOM 0 HD22 LEU A 50 -11.304 4.382 6.276 1.00 22.42 H new ATOM 0 HD23 LEU A 50 -12.937 4.988 6.639 1.00 22.42 H new ATOM 771 N GLN A 51 -9.437 5.303 2.486 1.00 24.34 N ATOM 772 CA GLN A 51 -8.887 5.074 1.161 1.00 52.41 C ATOM 773 C GLN A 51 -9.688 3.948 0.513 1.00 65.33 C ATOM 774 O GLN A 51 -9.616 2.812 0.978 1.00 32.44 O ATOM 775 CB GLN A 51 -7.412 4.690 1.317 1.00 43.33 C ATOM 776 CG GLN A 51 -6.560 5.829 1.894 1.00 52.34 C ATOM 777 CD GLN A 51 -6.181 6.876 0.848 1.00 34.45 C ATOM 778 OE1 GLN A 51 -5.841 6.555 -0.291 1.00 14.22 O ATOM 779 NE2 GLN A 51 -6.247 8.136 1.234 1.00 44.44 N ATOM 0 H GLN A 51 -9.380 4.474 3.078 1.00 24.34 H new ATOM 0 HA GLN A 51 -8.950 5.962 0.531 1.00 52.41 H new ATOM 0 HB2 GLN A 51 -7.335 3.819 1.967 1.00 43.33 H new ATOM 0 HB3 GLN A 51 -7.012 4.399 0.346 1.00 43.33 H new ATOM 0 HG2 GLN A 51 -7.108 6.312 2.703 1.00 52.34 H new ATOM 0 HG3 GLN A 51 -5.652 5.412 2.329 1.00 52.34 H new ATOM 0 HE21 GLN A 51 -6.533 8.363 2.186 1.00 44.44 H new ATOM 0 HE22 GLN A 51 -6.012 8.883 0.580 1.00 44.44 H new ATOM 788 N TYR A 52 -10.466 4.251 -0.526 1.00 13.43 N ATOM 789 CA TYR A 52 -11.329 3.320 -1.257 1.00 43.20 C ATOM 790 C TYR A 52 -11.200 3.606 -2.763 1.00 64.51 C ATOM 791 O TYR A 52 -10.434 4.497 -3.144 1.00 32.22 O ATOM 792 CB TYR A 52 -12.777 3.476 -0.775 1.00 42.13 C ATOM 793 CG TYR A 52 -13.335 4.861 -1.051 1.00 70.42 C ATOM 794 CD1 TYR A 52 -13.928 5.104 -2.302 1.00 54.12 C ATOM 795 CD2 TYR A 52 -13.197 5.919 -0.135 1.00 22.24 C ATOM 796 CE1 TYR A 52 -14.353 6.388 -2.665 1.00 73.42 C ATOM 797 CE2 TYR A 52 -13.640 7.206 -0.488 1.00 45.40 C ATOM 798 CZ TYR A 52 -14.201 7.450 -1.758 1.00 5.22 C ATOM 799 OH TYR A 52 -14.496 8.720 -2.120 1.00 63.21 O ATOM 0 H TYR A 52 -10.515 5.199 -0.900 1.00 13.43 H new ATOM 0 HA TYR A 52 -11.027 2.289 -1.072 1.00 43.20 H new ATOM 0 HB2 TYR A 52 -13.403 2.731 -1.267 1.00 42.13 H new ATOM 0 HB3 TYR A 52 -12.824 3.275 0.295 1.00 42.13 H new ATOM 0 HD1 TYR A 52 -14.058 4.286 -2.995 1.00 54.12 H new ATOM 0 HD2 TYR A 52 -12.753 5.744 0.834 1.00 22.24 H new ATOM 0 HE1 TYR A 52 -14.795 6.561 -3.635 1.00 73.42 H new ATOM 0 HE2 TYR A 52 -13.550 8.016 0.221 1.00 45.40 H new ATOM 0 HH TYR A 52 -14.331 9.322 -1.364 1.00 63.21 H new ATOM 809 N GLY A 53 -11.876 2.832 -3.622 1.00 50.00 N ATOM 810 CA GLY A 53 -11.728 2.935 -5.074 1.00 33.32 C ATOM 811 C GLY A 53 -10.312 2.538 -5.487 1.00 72.13 C ATOM 812 O GLY A 53 -9.498 3.392 -5.855 1.00 62.53 O ATOM 0 H GLY A 53 -12.541 2.117 -3.326 1.00 50.00 H new ATOM 0 HA2 GLY A 53 -12.454 2.289 -5.568 1.00 33.32 H new ATOM 0 HA3 GLY A 53 -11.937 3.955 -5.397 1.00 33.32 H new ATOM 816 N LYS A 54 -9.990 1.254 -5.313 1.00 65.43 N ATOM 817 CA LYS A 54 -8.637 0.687 -5.315 1.00 53.30 C ATOM 818 C LYS A 54 -8.576 -0.724 -5.925 1.00 22.11 C ATOM 819 O LYS A 54 -7.492 -1.310 -5.988 1.00 64.20 O ATOM 820 CB LYS A 54 -8.110 0.649 -3.865 1.00 72.13 C ATOM 821 CG LYS A 54 -8.033 1.985 -3.110 1.00 31.52 C ATOM 822 CD LYS A 54 -6.984 2.971 -3.639 1.00 12.33 C ATOM 823 CE LYS A 54 -7.228 4.395 -3.105 1.00 53.12 C ATOM 824 NZ LYS A 54 -7.916 5.244 -4.097 1.00 3.01 N ATOM 0 H LYS A 54 -10.704 0.542 -5.158 1.00 65.43 H new ATOM 0 HA LYS A 54 -8.014 1.326 -5.941 1.00 53.30 H new ATOM 0 HB2 LYS A 54 -8.746 -0.026 -3.292 1.00 72.13 H new ATOM 0 HB3 LYS A 54 -7.112 0.211 -3.880 1.00 72.13 H new ATOM 0 HG2 LYS A 54 -9.011 2.464 -3.149 1.00 31.52 H new ATOM 0 HG3 LYS A 54 -7.820 1.780 -2.061 1.00 31.52 H new ATOM 0 HD2 LYS A 54 -5.989 2.637 -3.346 1.00 12.33 H new ATOM 0 HD3 LYS A 54 -7.009 2.981 -4.729 1.00 12.33 H new ATOM 0 HE2 LYS A 54 -7.825 4.344 -2.194 1.00 53.12 H new ATOM 0 HE3 LYS A 54 -6.275 4.850 -2.836 1.00 53.12 H new ATOM 0 HZ1 LYS A 54 -7.986 6.216 -3.733 1.00 3.01 H new ATOM 0 HZ2 LYS A 54 -7.377 5.245 -4.986 1.00 3.01 H new ATOM 0 HZ3 LYS A 54 -8.871 4.870 -4.271 1.00 3.01 H new ATOM 838 N LEU A 55 -9.696 -1.313 -6.358 1.00 2.41 N ATOM 839 CA LEU A 55 -9.763 -2.712 -6.805 1.00 74.23 C ATOM 840 C LEU A 55 -8.914 -2.989 -8.056 1.00 44.24 C ATOM 841 O LEU A 55 -8.709 -4.143 -8.419 1.00 5.21 O ATOM 842 CB LEU A 55 -11.238 -3.096 -7.035 1.00 45.04 C ATOM 843 CG LEU A 55 -11.548 -4.604 -7.109 1.00 70.51 C ATOM 844 CD1 LEU A 55 -11.161 -5.348 -5.823 1.00 5.22 C ATOM 845 CD2 LEU A 55 -13.061 -4.750 -7.275 1.00 50.40 C ATOM 0 H LEU A 55 -10.592 -0.828 -6.409 1.00 2.41 H new ATOM 0 HA LEU A 55 -9.335 -3.335 -6.019 1.00 74.23 H new ATOM 0 HB2 LEU A 55 -11.833 -2.663 -6.231 1.00 45.04 H new ATOM 0 HB3 LEU A 55 -11.571 -2.632 -7.963 1.00 45.04 H new ATOM 0 HG LEU A 55 -10.978 -5.028 -7.936 1.00 70.51 H new ATOM 0 HD11 LEU A 55 -11.400 -6.406 -5.929 1.00 5.22 H new ATOM 0 HD12 LEU A 55 -10.092 -5.234 -5.644 1.00 5.22 H new ATOM 0 HD13 LEU A 55 -11.716 -4.933 -4.982 1.00 5.22 H new ATOM 0 HD21 LEU A 55 -13.321 -5.807 -7.331 1.00 50.40 H new ATOM 0 HD22 LEU A 55 -13.566 -4.297 -6.422 1.00 50.40 H new ATOM 0 HD23 LEU A 55 -13.377 -4.250 -8.191 1.00 50.40 H new ATOM 857 N ASN A 56 -8.400 -1.950 -8.717 1.00 33.24 N ATOM 858 CA ASN A 56 -7.581 -2.035 -9.919 1.00 21.35 C ATOM 859 C ASN A 56 -6.471 -0.978 -9.921 1.00 1.02 C ATOM 860 O ASN A 56 -5.986 -0.612 -10.997 1.00 43.21 O ATOM 861 CB ASN A 56 -8.475 -1.956 -11.165 1.00 51.30 C ATOM 862 CG ASN A 56 -9.386 -0.741 -11.141 1.00 5.01 C ATOM 863 OD1 ASN A 56 -8.934 0.400 -11.220 1.00 71.40 O ATOM 864 ND2 ASN A 56 -10.670 -0.954 -10.923 1.00 1.21 N ATOM 0 H ASN A 56 -8.552 -0.988 -8.413 1.00 33.24 H new ATOM 0 HA ASN A 56 -7.074 -3.000 -9.934 1.00 21.35 H new ATOM 0 HB2 ASN A 56 -7.850 -1.922 -12.057 1.00 51.30 H new ATOM 0 HB3 ASN A 56 -9.080 -2.860 -11.234 1.00 51.30 H new ATOM 0 HD21 ASN A 56 -11.307 -0.165 -10.817 1.00 1.21 H new ATOM 0 HD22 ASN A 56 -11.025 -1.908 -10.861 1.00 1.21 H new ATOM 871 N VAL A 57 -6.027 -0.507 -8.742 1.00 2.25 N ATOM 872 CA VAL A 57 -4.786 0.270 -8.654 1.00 10.15 C ATOM 873 C VAL A 57 -3.689 -0.508 -9.375 1.00 71.43 C ATOM 874 O VAL A 57 -3.615 -1.737 -9.291 1.00 41.02 O ATOM 875 CB VAL A 57 -4.355 0.549 -7.192 1.00 74.40 C ATOM 876 CG1 VAL A 57 -3.050 1.361 -7.098 1.00 34.31 C ATOM 877 CG2 VAL A 57 -5.402 1.306 -6.388 1.00 62.40 C ATOM 0 H VAL A 57 -6.503 -0.650 -7.851 1.00 2.25 H new ATOM 0 HA VAL A 57 -4.957 1.241 -9.118 1.00 10.15 H new ATOM 0 HB VAL A 57 -4.215 -0.448 -6.774 1.00 74.40 H new ATOM 0 HG11 VAL A 57 -2.798 1.525 -6.050 1.00 34.31 H new ATOM 0 HG12 VAL A 57 -2.243 0.811 -7.583 1.00 34.31 H new ATOM 0 HG13 VAL A 57 -3.183 2.322 -7.594 1.00 34.31 H new ATOM 0 HG21 VAL A 57 -5.036 1.468 -5.374 1.00 62.40 H new ATOM 0 HG22 VAL A 57 -5.598 2.268 -6.861 1.00 62.40 H new ATOM 0 HG23 VAL A 57 -6.324 0.725 -6.352 1.00 62.40 H new ATOM 887 N GLY A 58 -2.794 0.219 -10.032 1.00 42.14 N ATOM 888 CA GLY A 58 -1.541 -0.321 -10.493 1.00 33.24 C ATOM 889 C GLY A 58 -0.379 0.573 -10.126 1.00 5.23 C ATOM 890 O GLY A 58 -0.578 1.652 -9.567 1.00 64.51 O ATOM 0 H GLY A 58 -2.927 1.205 -10.257 1.00 42.14 H new ATOM 0 HA2 GLY A 58 -1.390 -1.310 -10.061 1.00 33.24 H new ATOM 0 HA3 GLY A 58 -1.575 -0.448 -11.575 1.00 33.24 H new ATOM 894 N LEU A 59 0.839 0.120 -10.423 1.00 70.11 N ATOM 895 CA LEU A 59 2.047 0.792 -10.018 1.00 52.42 C ATOM 896 C LEU A 59 2.823 1.255 -11.232 1.00 74.31 C ATOM 897 O LEU A 59 3.224 0.457 -12.085 1.00 72.14 O ATOM 898 CB LEU A 59 2.852 -0.157 -9.140 1.00 2.10 C ATOM 899 CG LEU A 59 3.359 0.501 -7.868 1.00 24.24 C ATOM 900 CD1 LEU A 59 4.424 1.553 -8.151 1.00 32.10 C ATOM 901 CD2 LEU A 59 2.250 1.069 -6.975 1.00 50.13 C ATOM 0 H LEU A 59 1.003 -0.733 -10.957 1.00 70.11 H new ATOM 0 HA LEU A 59 1.816 1.686 -9.440 1.00 52.42 H new ATOM 0 HB2 LEU A 59 2.232 -1.015 -8.877 1.00 2.10 H new ATOM 0 HB3 LEU A 59 3.700 -0.539 -9.709 1.00 2.10 H new ATOM 0 HG LEU A 59 3.820 -0.308 -7.301 1.00 24.24 H new ATOM 0 HD11 LEU A 59 4.756 1.996 -7.212 1.00 32.10 H new ATOM 0 HD12 LEU A 59 5.272 1.087 -8.652 1.00 32.10 H new ATOM 0 HD13 LEU A 59 4.007 2.330 -8.791 1.00 32.10 H new ATOM 0 HD21 LEU A 59 2.693 1.521 -6.088 1.00 50.13 H new ATOM 0 HD22 LEU A 59 1.690 1.824 -7.526 1.00 50.13 H new ATOM 0 HD23 LEU A 59 1.577 0.266 -6.675 1.00 50.13 H new ATOM 913 N VAL A 60 3.011 2.561 -11.302 1.00 52.32 N ATOM 914 CA VAL A 60 3.516 3.270 -12.468 1.00 74.32 C ATOM 915 C VAL A 60 5.002 3.602 -12.343 1.00 74.31 C ATOM 916 O VAL A 60 5.674 3.821 -13.351 1.00 43.11 O ATOM 917 CB VAL A 60 2.693 4.536 -12.735 1.00 51.34 C ATOM 918 CG1 VAL A 60 1.530 4.210 -13.677 1.00 43.03 C ATOM 919 CG2 VAL A 60 2.102 5.217 -11.507 1.00 41.32 C ATOM 0 H VAL A 60 2.809 3.182 -10.519 1.00 52.32 H new ATOM 0 HA VAL A 60 3.409 2.601 -13.322 1.00 74.32 H new ATOM 0 HB VAL A 60 3.412 5.233 -13.165 1.00 51.34 H new ATOM 0 HG11 VAL A 60 0.949 5.113 -13.863 1.00 43.03 H new ATOM 0 HG12 VAL A 60 1.922 3.829 -14.620 1.00 43.03 H new ATOM 0 HG13 VAL A 60 0.891 3.455 -13.219 1.00 43.03 H new ATOM 0 HG21 VAL A 60 1.541 6.100 -11.815 1.00 41.32 H new ATOM 0 HG22 VAL A 60 1.435 4.525 -10.993 1.00 41.32 H new ATOM 0 HG23 VAL A 60 2.906 5.514 -10.834 1.00 41.32 H new ATOM 929 N GLY A 61 5.539 3.585 -11.136 1.00 34.53 N ATOM 930 CA GLY A 61 6.977 3.638 -10.901 1.00 2.02 C ATOM 931 C GLY A 61 7.374 3.608 -9.434 1.00 25.33 C ATOM 932 O GLY A 61 6.537 3.767 -8.544 1.00 32.42 O ATOM 0 H GLY A 61 4.986 3.534 -10.280 1.00 34.53 H new ATOM 0 HA2 GLY A 61 7.447 2.797 -11.410 1.00 2.02 H new ATOM 0 HA3 GLY A 61 7.374 4.547 -11.354 1.00 2.02 H new ATOM 936 N VAL A 62 8.664 3.339 -9.209 1.00 14.04 N ATOM 937 CA VAL A 62 9.218 2.925 -7.929 1.00 11.01 C ATOM 938 C VAL A 62 10.743 2.872 -8.056 1.00 2.23 C ATOM 939 O VAL A 62 11.309 2.007 -8.728 1.00 10.21 O ATOM 940 CB VAL A 62 8.565 1.596 -7.489 1.00 2.42 C ATOM 941 CG1 VAL A 62 8.507 0.503 -8.580 1.00 45.24 C ATOM 942 CG2 VAL A 62 9.125 1.002 -6.192 1.00 41.15 C ATOM 0 H VAL A 62 9.370 3.408 -9.942 1.00 14.04 H new ATOM 0 HA VAL A 62 8.993 3.639 -7.136 1.00 11.01 H new ATOM 0 HB VAL A 62 7.542 1.916 -7.292 1.00 2.42 H new ATOM 0 HG11 VAL A 62 8.032 -0.391 -8.175 1.00 45.24 H new ATOM 0 HG12 VAL A 62 7.930 0.867 -9.430 1.00 45.24 H new ATOM 0 HG13 VAL A 62 9.518 0.260 -8.906 1.00 45.24 H new ATOM 0 HG21 VAL A 62 8.606 0.071 -5.964 1.00 41.15 H new ATOM 0 HG22 VAL A 62 10.190 0.803 -6.313 1.00 41.15 H new ATOM 0 HG23 VAL A 62 8.978 1.709 -5.375 1.00 41.15 H new ATOM 952 N GLU A 63 11.392 3.841 -7.419 1.00 62.23 N ATOM 953 CA GLU A 63 12.834 4.054 -7.333 1.00 34.13 C ATOM 954 C GLU A 63 13.270 4.670 -5.996 1.00 42.33 C ATOM 955 O GLU A 63 12.491 5.386 -5.372 1.00 43.12 O ATOM 956 CB GLU A 63 13.226 5.049 -8.419 1.00 5.04 C ATOM 957 CG GLU A 63 13.499 4.414 -9.782 1.00 12.23 C ATOM 958 CD GLU A 63 15.002 4.422 -10.074 1.00 4.14 C ATOM 959 OE1 GLU A 63 15.599 5.521 -10.170 1.00 53.01 O ATOM 960 OE2 GLU A 63 15.582 3.309 -10.131 1.00 14.33 O ATOM 0 H GLU A 63 10.880 4.559 -6.906 1.00 62.23 H new ATOM 0 HA GLU A 63 13.313 3.080 -7.440 1.00 34.13 H new ATOM 0 HB2 GLU A 63 12.429 5.785 -8.527 1.00 5.04 H new ATOM 0 HB3 GLU A 63 14.117 5.589 -8.097 1.00 5.04 H new ATOM 0 HG2 GLU A 63 13.123 3.391 -9.797 1.00 12.23 H new ATOM 0 HG3 GLU A 63 12.966 4.961 -10.560 1.00 12.23 H new ATOM 967 N PRO A 64 14.542 4.522 -5.598 1.00 73.52 N ATOM 968 CA PRO A 64 15.073 5.115 -4.378 1.00 24.22 C ATOM 969 C PRO A 64 14.900 6.640 -4.401 1.00 31.52 C ATOM 970 O PRO A 64 15.426 7.293 -5.298 1.00 50.22 O ATOM 971 CB PRO A 64 16.537 4.669 -4.341 1.00 14.40 C ATOM 972 CG PRO A 64 16.901 4.379 -5.796 1.00 12.02 C ATOM 973 CD PRO A 64 15.585 3.897 -6.395 1.00 32.22 C ATOM 0 HA PRO A 64 14.552 4.794 -3.476 1.00 24.22 H new ATOM 0 HB2 PRO A 64 17.176 5.447 -3.922 1.00 14.40 H new ATOM 0 HB3 PRO A 64 16.664 3.783 -3.719 1.00 14.40 H new ATOM 0 HG2 PRO A 64 17.272 5.269 -6.303 1.00 12.02 H new ATOM 0 HG3 PRO A 64 17.680 3.621 -5.873 1.00 12.02 H new ATOM 0 HD2 PRO A 64 15.503 4.184 -7.443 1.00 32.22 H new ATOM 0 HD3 PRO A 64 15.511 2.810 -6.355 1.00 32.22 H new ATOM 981 N ALA A 65 14.196 7.231 -3.427 1.00 2.00 N ATOM 982 CA ALA A 65 14.019 8.691 -3.300 1.00 31.31 C ATOM 983 C ALA A 65 15.200 9.391 -2.617 1.00 4.11 C ATOM 984 O ALA A 65 15.029 10.412 -1.940 1.00 31.32 O ATOM 985 CB ALA A 65 12.718 9.009 -2.539 1.00 2.03 C ATOM 0 H ALA A 65 13.725 6.704 -2.692 1.00 2.00 H new ATOM 0 HA ALA A 65 13.965 9.080 -4.317 1.00 31.31 H new ATOM 0 HB1 ALA A 65 12.601 10.089 -2.453 1.00 2.03 H new ATOM 0 HB2 ALA A 65 11.868 8.594 -3.082 1.00 2.03 H new ATOM 0 HB3 ALA A 65 12.762 8.569 -1.543 1.00 2.03 H new ATOM 991 N GLY A 66 16.382 8.805 -2.744 1.00 3.14 N ATOM 992 CA GLY A 66 17.558 9.109 -1.950 1.00 13.40 C ATOM 993 C GLY A 66 18.121 7.797 -1.419 1.00 5.42 C ATOM 994 O GLY A 66 18.087 6.787 -2.123 1.00 31.33 O ATOM 0 H GLY A 66 16.552 8.073 -3.434 1.00 3.14 H new ATOM 0 HA2 GLY A 66 18.303 9.626 -2.555 1.00 13.40 H new ATOM 0 HA3 GLY A 66 17.300 9.774 -1.126 1.00 13.40 H new ATOM 998 N GLN A 67 18.635 7.785 -0.187 1.00 4.30 N ATOM 999 CA GLN A 67 19.345 6.632 0.377 1.00 13.51 C ATOM 1000 C GLN A 67 18.647 6.057 1.622 1.00 11.32 C ATOM 1001 O GLN A 67 19.134 5.080 2.193 1.00 71.42 O ATOM 1002 CB GLN A 67 20.810 7.018 0.654 1.00 74.11 C ATOM 1003 CG GLN A 67 21.519 7.579 -0.592 1.00 50.43 C ATOM 1004 CD GLN A 67 22.994 7.870 -0.329 1.00 31.42 C ATOM 1005 OE1 GLN A 67 23.895 7.223 -0.865 1.00 14.54 O ATOM 1006 NE2 GLN A 67 23.293 8.881 0.467 1.00 25.11 N ATOM 0 H GLN A 67 18.571 8.578 0.451 1.00 4.30 H new ATOM 0 HA GLN A 67 19.328 5.827 -0.357 1.00 13.51 H new ATOM 0 HB2 GLN A 67 20.842 7.761 1.451 1.00 74.11 H new ATOM 0 HB3 GLN A 67 21.351 6.142 1.012 1.00 74.11 H new ATOM 0 HG2 GLN A 67 21.431 6.865 -1.411 1.00 50.43 H new ATOM 0 HG3 GLN A 67 21.020 8.494 -0.911 1.00 50.43 H new ATOM 0 HE21 GLN A 67 22.548 9.418 0.912 1.00 25.11 H new ATOM 0 HE22 GLN A 67 24.269 9.125 0.637 1.00 25.11 H new ATOM 1015 N TYR A 68 17.516 6.622 2.052 1.00 54.45 N ATOM 1016 CA TYR A 68 16.855 6.341 3.329 1.00 64.31 C ATOM 1017 C TYR A 68 15.346 6.088 3.180 1.00 23.14 C ATOM 1018 O TYR A 68 14.678 5.854 4.188 1.00 52.21 O ATOM 1019 CB TYR A 68 17.144 7.476 4.331 1.00 45.32 C ATOM 1020 CG TYR A 68 17.206 8.871 3.734 1.00 72.15 C ATOM 1021 CD1 TYR A 68 18.381 9.321 3.101 1.00 50.05 C ATOM 1022 CD2 TYR A 68 16.073 9.702 3.772 1.00 5.40 C ATOM 1023 CE1 TYR A 68 18.413 10.573 2.464 1.00 11.04 C ATOM 1024 CE2 TYR A 68 16.113 10.977 3.184 1.00 10.03 C ATOM 1025 CZ TYR A 68 17.273 11.412 2.504 1.00 72.15 C ATOM 1026 OH TYR A 68 17.272 12.620 1.874 1.00 74.34 O ATOM 0 H TYR A 68 17.015 7.316 1.497 1.00 54.45 H new ATOM 0 HA TYR A 68 17.272 5.412 3.717 1.00 64.31 H new ATOM 0 HB2 TYR A 68 16.373 7.463 5.101 1.00 45.32 H new ATOM 0 HB3 TYR A 68 18.093 7.268 4.826 1.00 45.32 H new ATOM 0 HD1 TYR A 68 19.264 8.699 3.105 1.00 50.05 H new ATOM 0 HD2 TYR A 68 15.170 9.359 4.254 1.00 5.40 H new ATOM 0 HE1 TYR A 68 19.304 10.894 1.946 1.00 11.04 H new ATOM 0 HE2 TYR A 68 15.254 11.628 3.252 1.00 10.03 H new ATOM 0 HH TYR A 68 16.405 13.058 2.007 1.00 74.34 H new ATOM 1036 N ALA A 69 14.808 6.142 1.961 1.00 62.32 N ATOM 1037 CA ALA A 69 13.397 6.095 1.626 1.00 21.12 C ATOM 1038 C ALA A 69 13.244 5.825 0.135 1.00 54.05 C ATOM 1039 O ALA A 69 13.775 6.586 -0.677 1.00 22.42 O ATOM 1040 CB ALA A 69 12.712 7.429 1.965 1.00 52.25 C ATOM 0 H ALA A 69 15.393 6.225 1.129 1.00 62.32 H new ATOM 0 HA ALA A 69 12.928 5.300 2.206 1.00 21.12 H new ATOM 0 HB1 ALA A 69 11.655 7.371 1.706 1.00 52.25 H new ATOM 0 HB2 ALA A 69 12.814 7.629 3.032 1.00 52.25 H new ATOM 0 HB3 ALA A 69 13.181 8.233 1.398 1.00 52.25 H new ATOM 1046 N LEU A 70 12.495 4.789 -0.240 1.00 14.33 N ATOM 1047 CA LEU A 70 12.114 4.537 -1.630 1.00 25.40 C ATOM 1048 C LEU A 70 10.857 5.381 -1.939 1.00 51.44 C ATOM 1049 O LEU A 70 9.985 5.509 -1.078 1.00 44.45 O ATOM 1050 CB LEU A 70 11.933 3.012 -1.810 1.00 62.15 C ATOM 1051 CG LEU A 70 12.253 2.467 -3.216 1.00 53.15 C ATOM 1052 CD1 LEU A 70 12.373 0.941 -3.253 1.00 72.52 C ATOM 1053 CD2 LEU A 70 11.147 2.827 -4.186 1.00 62.34 C ATOM 0 H LEU A 70 12.133 4.096 0.416 1.00 14.33 H new ATOM 0 HA LEU A 70 12.875 4.841 -2.349 1.00 25.40 H new ATOM 0 HB2 LEU A 70 12.569 2.500 -1.088 1.00 62.15 H new ATOM 0 HB3 LEU A 70 10.902 2.755 -1.566 1.00 62.15 H new ATOM 0 HG LEU A 70 13.207 2.917 -3.491 1.00 53.15 H new ATOM 0 HD11 LEU A 70 12.599 0.618 -4.269 1.00 72.52 H new ATOM 0 HD12 LEU A 70 13.173 0.623 -2.585 1.00 72.52 H new ATOM 0 HD13 LEU A 70 11.432 0.494 -2.931 1.00 72.52 H new ATOM 0 HD21 LEU A 70 11.388 2.435 -5.174 1.00 62.34 H new ATOM 0 HD22 LEU A 70 10.207 2.394 -3.843 1.00 62.34 H new ATOM 0 HD23 LEU A 70 11.049 3.911 -4.240 1.00 62.34 H new ATOM 1065 N LYS A 71 10.741 5.973 -3.134 1.00 42.41 N ATOM 1066 CA LYS A 71 9.530 6.639 -3.647 1.00 22.40 C ATOM 1067 C LYS A 71 8.426 5.636 -4.006 1.00 41.15 C ATOM 1068 O LYS A 71 8.695 4.442 -4.020 1.00 63.55 O ATOM 1069 CB LYS A 71 9.926 7.495 -4.863 1.00 33.22 C ATOM 1070 CG LYS A 71 9.858 6.852 -6.256 1.00 23.21 C ATOM 1071 CD LYS A 71 10.484 7.737 -7.346 1.00 71.13 C ATOM 1072 CE LYS A 71 11.918 8.210 -7.069 1.00 32.43 C ATOM 1073 NZ LYS A 71 12.454 9.019 -8.180 1.00 40.11 N ATOM 0 H LYS A 71 11.515 6.004 -3.798 1.00 42.41 H new ATOM 0 HA LYS A 71 9.115 7.274 -2.865 1.00 22.40 H new ATOM 0 HB2 LYS A 71 9.286 8.377 -4.872 1.00 33.22 H new ATOM 0 HB3 LYS A 71 10.947 7.844 -4.707 1.00 33.22 H new ATOM 0 HG2 LYS A 71 10.372 5.891 -6.234 1.00 23.21 H new ATOM 0 HG3 LYS A 71 8.817 6.651 -6.509 1.00 23.21 H new ATOM 0 HD2 LYS A 71 10.477 7.185 -8.286 1.00 71.13 H new ATOM 0 HD3 LYS A 71 9.851 8.613 -7.486 1.00 71.13 H new ATOM 0 HE2 LYS A 71 11.936 8.797 -6.151 1.00 32.43 H new ATOM 0 HE3 LYS A 71 12.561 7.345 -6.907 1.00 32.43 H new ATOM 0 HZ1 LYS A 71 13.424 9.319 -7.955 1.00 40.11 H new ATOM 0 HZ2 LYS A 71 12.461 8.451 -9.051 1.00 40.11 H new ATOM 0 HZ3 LYS A 71 11.855 9.858 -8.319 1.00 40.11 H new ATOM 1087 N LEU A 72 7.213 6.077 -4.348 1.00 1.32 N ATOM 1088 CA LEU A 72 6.185 5.260 -5.018 1.00 44.01 C ATOM 1089 C LEU A 72 5.386 6.171 -5.952 1.00 64.41 C ATOM 1090 O LEU A 72 5.376 7.385 -5.749 1.00 63.14 O ATOM 1091 CB LEU A 72 5.247 4.593 -3.987 1.00 53.04 C ATOM 1092 CG LEU A 72 5.731 3.200 -3.532 1.00 12.23 C ATOM 1093 CD1 LEU A 72 5.305 2.885 -2.105 1.00 53.32 C ATOM 1094 CD2 LEU A 72 5.281 2.078 -4.462 1.00 74.31 C ATOM 0 H LEU A 72 6.906 7.032 -4.165 1.00 1.32 H new ATOM 0 HA LEU A 72 6.665 4.463 -5.586 1.00 44.01 H new ATOM 0 HB2 LEU A 72 5.157 5.241 -3.115 1.00 53.04 H new ATOM 0 HB3 LEU A 72 4.251 4.500 -4.419 1.00 53.04 H new ATOM 0 HG LEU A 72 6.819 3.249 -3.572 1.00 12.23 H new ATOM 0 HD11 LEU A 72 5.667 1.895 -1.827 1.00 53.32 H new ATOM 0 HD12 LEU A 72 5.725 3.628 -1.427 1.00 53.32 H new ATOM 0 HD13 LEU A 72 4.217 2.905 -2.037 1.00 53.32 H new ATOM 0 HD21 LEU A 72 5.653 1.124 -4.088 1.00 74.31 H new ATOM 0 HD22 LEU A 72 4.192 2.053 -4.501 1.00 74.31 H new ATOM 0 HD23 LEU A 72 5.676 2.254 -5.462 1.00 74.31 H new ATOM 1106 N SER A 73 4.700 5.602 -6.942 1.00 70.45 N ATOM 1107 CA SER A 73 3.786 6.305 -7.833 1.00 43.32 C ATOM 1108 C SER A 73 2.644 5.340 -8.164 1.00 33.42 C ATOM 1109 O SER A 73 2.904 4.256 -8.698 1.00 64.51 O ATOM 1110 CB SER A 73 4.531 6.730 -9.109 1.00 21.22 C ATOM 1111 OG SER A 73 5.707 7.477 -8.861 1.00 70.13 O ATOM 0 H SER A 73 4.769 4.606 -7.151 1.00 70.45 H new ATOM 0 HA SER A 73 3.391 7.207 -7.364 1.00 43.32 H new ATOM 0 HB2 SER A 73 4.791 5.839 -9.680 1.00 21.22 H new ATOM 0 HB3 SER A 73 3.860 7.322 -9.730 1.00 21.22 H new ATOM 0 HG SER A 73 6.131 7.713 -9.713 1.00 70.13 H new ATOM 1117 N PHE A 74 1.395 5.700 -7.866 1.00 71.55 N ATOM 1118 CA PHE A 74 0.236 4.827 -8.048 1.00 43.01 C ATOM 1119 C PHE A 74 -0.606 5.314 -9.223 1.00 73.23 C ATOM 1120 O PHE A 74 -0.811 6.512 -9.402 1.00 71.34 O ATOM 1121 CB PHE A 74 -0.612 4.795 -6.768 1.00 2.02 C ATOM 1122 CG PHE A 74 0.161 4.557 -5.483 1.00 70.21 C ATOM 1123 CD1 PHE A 74 0.515 3.252 -5.094 1.00 41.43 C ATOM 1124 CD2 PHE A 74 0.528 5.645 -4.671 1.00 2.42 C ATOM 1125 CE1 PHE A 74 1.222 3.038 -3.899 1.00 1.24 C ATOM 1126 CE2 PHE A 74 1.233 5.436 -3.472 1.00 72.23 C ATOM 1127 CZ PHE A 74 1.576 4.128 -3.084 1.00 12.42 C ATOM 0 H PHE A 74 1.158 6.617 -7.487 1.00 71.55 H new ATOM 0 HA PHE A 74 0.587 3.817 -8.260 1.00 43.01 H new ATOM 0 HB2 PHE A 74 -1.145 5.742 -6.682 1.00 2.02 H new ATOM 0 HB3 PHE A 74 -1.365 4.013 -6.870 1.00 2.02 H new ATOM 0 HD1 PHE A 74 0.242 2.412 -5.716 1.00 41.43 H new ATOM 0 HD2 PHE A 74 0.266 6.649 -4.970 1.00 2.42 H new ATOM 0 HE1 PHE A 74 1.494 2.035 -3.606 1.00 1.24 H new ATOM 0 HE2 PHE A 74 1.510 6.276 -2.852 1.00 72.23 H new ATOM 0 HZ PHE A 74 2.111 3.961 -2.161 1.00 12.42 H new ATOM 1137 N ASP A 75 -1.107 4.378 -10.023 1.00 43.34 N ATOM 1138 CA ASP A 75 -1.943 4.643 -11.200 1.00 10.35 C ATOM 1139 C ASP A 75 -3.297 5.263 -10.834 1.00 24.21 C ATOM 1140 O ASP A 75 -3.858 6.043 -11.608 1.00 14.31 O ATOM 1141 CB ASP A 75 -2.173 3.327 -11.942 1.00 11.14 C ATOM 1142 CG ASP A 75 -3.298 3.433 -12.966 1.00 63.52 C ATOM 1143 OD1 ASP A 75 -3.056 3.955 -14.076 1.00 30.55 O ATOM 1144 OD2 ASP A 75 -4.411 2.932 -12.707 1.00 33.15 O ATOM 0 H ASP A 75 -0.940 3.383 -9.870 1.00 43.34 H new ATOM 0 HA ASP A 75 -1.419 5.364 -11.827 1.00 10.35 H new ATOM 0 HB2 ASP A 75 -1.253 3.030 -12.445 1.00 11.14 H new ATOM 0 HB3 ASP A 75 -2.411 2.543 -11.223 1.00 11.14 H new ATOM 1149 N ASP A 76 -3.824 4.932 -9.652 1.00 30.23 N ATOM 1150 CA ASP A 76 -5.032 5.566 -9.126 1.00 61.12 C ATOM 1151 C ASP A 76 -4.758 6.989 -8.625 1.00 4.42 C ATOM 1152 O ASP A 76 -5.706 7.754 -8.439 1.00 70.21 O ATOM 1153 CB ASP A 76 -5.677 4.695 -8.040 1.00 51.00 C ATOM 1154 CG ASP A 76 -5.030 4.857 -6.669 1.00 1.23 C ATOM 1155 OD1 ASP A 76 -3.842 4.508 -6.554 1.00 43.20 O ATOM 1156 OD2 ASP A 76 -5.735 5.302 -5.733 1.00 3.24 O ATOM 0 H ASP A 76 -3.427 4.221 -9.037 1.00 30.23 H new ATOM 0 HA ASP A 76 -5.743 5.655 -9.947 1.00 61.12 H new ATOM 0 HB2 ASP A 76 -6.735 4.945 -7.966 1.00 51.00 H new ATOM 0 HB3 ASP A 76 -5.617 3.649 -8.340 1.00 51.00 H new ATOM 1161 N GLY A 77 -3.483 7.359 -8.483 1.00 50.44 N ATOM 1162 CA GLY A 77 -3.011 8.703 -8.212 1.00 63.21 C ATOM 1163 C GLY A 77 -2.619 8.900 -6.754 1.00 50.23 C ATOM 1164 O GLY A 77 -2.711 7.977 -5.943 1.00 25.34 O ATOM 0 H GLY A 77 -2.719 6.688 -8.559 1.00 50.44 H new ATOM 0 HA2 GLY A 77 -2.152 8.918 -8.848 1.00 63.21 H new ATOM 0 HA3 GLY A 77 -3.790 9.418 -8.475 1.00 63.21 H new ATOM 1168 N HIS A 78 -2.245 10.136 -6.428 1.00 0.34 N ATOM 1169 CA HIS A 78 -1.663 10.569 -5.168 1.00 24.35 C ATOM 1170 C HIS A 78 -0.401 9.760 -4.877 1.00 23.30 C ATOM 1171 O HIS A 78 -0.395 8.842 -4.061 1.00 5.31 O ATOM 1172 CB HIS A 78 -2.720 10.571 -4.052 1.00 4.35 C ATOM 1173 CG HIS A 78 -2.290 11.121 -2.711 1.00 42.34 C ATOM 1174 ND1 HIS A 78 -2.958 10.901 -1.529 1.00 71.43 N ATOM 1175 CD2 HIS A 78 -1.210 11.919 -2.433 1.00 2.12 C ATOM 1176 CE1 HIS A 78 -2.273 11.512 -0.551 1.00 54.31 C ATOM 1177 NE2 HIS A 78 -1.211 12.163 -1.054 1.00 31.53 N ATOM 0 H HIS A 78 -2.349 10.910 -7.084 1.00 0.34 H new ATOM 0 HA HIS A 78 -1.335 11.606 -5.231 1.00 24.35 H new ATOM 0 HB2 HIS A 78 -3.578 11.148 -4.397 1.00 4.35 H new ATOM 0 HB3 HIS A 78 -3.062 9.547 -3.906 1.00 4.35 H new ATOM 0 HD1 HIS A 78 -3.820 10.368 -1.416 1.00 71.43 H new ATOM 0 HD2 HIS A 78 -0.490 12.291 -3.147 1.00 2.12 H new ATOM 0 HE1 HIS A 78 -2.538 11.484 0.496 1.00 54.31 H new ATOM 1185 N ASP A 79 0.690 10.120 -5.550 1.00 32.14 N ATOM 1186 CA ASP A 79 2.016 9.563 -5.310 1.00 25.32 C ATOM 1187 C ASP A 79 2.460 9.876 -3.884 1.00 50.23 C ATOM 1188 O ASP A 79 2.698 8.949 -3.107 1.00 74.22 O ATOM 1189 CB ASP A 79 3.041 10.057 -6.345 1.00 51.44 C ATOM 1190 CG ASP A 79 3.057 11.574 -6.523 1.00 54.43 C ATOM 1191 OD1 ASP A 79 2.093 12.099 -7.121 1.00 34.52 O ATOM 1192 OD2 ASP A 79 4.041 12.235 -6.117 1.00 51.12 O ATOM 0 H ASP A 79 0.675 10.821 -6.291 1.00 32.14 H new ATOM 0 HA ASP A 79 1.959 8.481 -5.426 1.00 25.32 H new ATOM 0 HB2 ASP A 79 4.035 9.726 -6.045 1.00 51.44 H new ATOM 0 HB3 ASP A 79 2.826 9.590 -7.306 1.00 51.44 H new ATOM 1197 N SER A 80 2.498 11.153 -3.475 1.00 61.53 N ATOM 1198 CA SER A 80 3.120 11.571 -2.219 1.00 11.20 C ATOM 1199 C SER A 80 4.533 10.972 -2.098 1.00 61.52 C ATOM 1200 O SER A 80 5.213 10.788 -3.113 1.00 21.54 O ATOM 1201 CB SER A 80 2.155 11.362 -1.042 1.00 10.34 C ATOM 1202 OG SER A 80 1.732 10.023 -0.890 1.00 21.43 O ATOM 0 H SER A 80 2.096 11.923 -4.010 1.00 61.53 H new ATOM 0 HA SER A 80 3.300 12.646 -2.200 1.00 11.20 H new ATOM 0 HB2 SER A 80 2.641 11.688 -0.122 1.00 10.34 H new ATOM 0 HB3 SER A 80 1.280 11.997 -1.183 1.00 10.34 H new ATOM 0 HG SER A 80 2.295 9.438 -1.439 1.00 21.43 H new ATOM 1208 N GLY A 81 5.061 10.776 -0.893 1.00 74.34 N ATOM 1209 CA GLY A 81 6.381 10.199 -0.719 1.00 44.23 C ATOM 1210 C GLY A 81 6.660 9.909 0.743 1.00 65.41 C ATOM 1211 O GLY A 81 5.737 9.862 1.562 1.00 12.30 O ATOM 0 H GLY A 81 4.588 11.012 -0.021 1.00 74.34 H new ATOM 0 HA2 GLY A 81 6.458 9.278 -1.297 1.00 44.23 H new ATOM 0 HA3 GLY A 81 7.135 10.883 -1.108 1.00 44.23 H new ATOM 1215 N LEU A 82 7.950 9.750 1.052 1.00 54.25 N ATOM 1216 CA LEU A 82 8.480 9.536 2.395 1.00 4.00 C ATOM 1217 C LEU A 82 7.977 8.220 2.998 1.00 74.33 C ATOM 1218 O LEU A 82 7.311 8.205 4.028 1.00 52.31 O ATOM 1219 CB LEU A 82 8.222 10.780 3.277 1.00 70.45 C ATOM 1220 CG LEU A 82 8.921 12.058 2.789 1.00 61.15 C ATOM 1221 CD1 LEU A 82 8.398 13.259 3.584 1.00 44.33 C ATOM 1222 CD2 LEU A 82 10.442 11.948 2.920 1.00 10.30 C ATOM 0 H LEU A 82 8.681 9.768 0.341 1.00 54.25 H new ATOM 0 HA LEU A 82 9.562 9.420 2.340 1.00 4.00 H new ATOM 0 HB2 LEU A 82 7.148 10.962 3.322 1.00 70.45 H new ATOM 0 HB3 LEU A 82 8.552 10.565 4.293 1.00 70.45 H new ATOM 0 HG LEU A 82 8.695 12.196 1.732 1.00 61.15 H new ATOM 0 HD11 LEU A 82 8.893 14.167 3.239 1.00 44.33 H new ATOM 0 HD12 LEU A 82 7.322 13.353 3.435 1.00 44.33 H new ATOM 0 HD13 LEU A 82 8.606 13.112 4.644 1.00 44.33 H new ATOM 0 HD21 LEU A 82 10.905 12.869 2.566 1.00 10.30 H new ATOM 0 HD22 LEU A 82 10.706 11.787 3.965 1.00 10.30 H new ATOM 0 HD23 LEU A 82 10.799 11.109 2.322 1.00 10.30 H new ATOM 1234 N PHE A 83 8.322 7.105 2.343 1.00 24.20 N ATOM 1235 CA PHE A 83 8.056 5.749 2.829 1.00 52.05 C ATOM 1236 C PHE A 83 9.208 5.172 3.661 1.00 22.51 C ATOM 1237 O PHE A 83 9.066 4.075 4.189 1.00 72.34 O ATOM 1238 CB PHE A 83 7.778 4.819 1.638 1.00 24.31 C ATOM 1239 CG PHE A 83 6.374 4.909 1.087 1.00 2.41 C ATOM 1240 CD1 PHE A 83 6.027 5.922 0.175 1.00 52.32 C ATOM 1241 CD2 PHE A 83 5.413 3.961 1.486 1.00 25.24 C ATOM 1242 CE1 PHE A 83 4.716 5.986 -0.328 1.00 64.55 C ATOM 1243 CE2 PHE A 83 4.097 4.047 1.009 1.00 50.14 C ATOM 1244 CZ PHE A 83 3.749 5.063 0.108 1.00 2.21 C ATOM 0 H PHE A 83 8.803 7.122 1.444 1.00 24.20 H new ATOM 0 HA PHE A 83 7.186 5.814 3.482 1.00 52.05 H new ATOM 0 HB2 PHE A 83 8.483 5.051 0.840 1.00 24.31 H new ATOM 0 HB3 PHE A 83 7.969 3.790 1.944 1.00 24.31 H new ATOM 0 HD1 PHE A 83 6.764 6.647 -0.137 1.00 52.32 H new ATOM 0 HD2 PHE A 83 5.690 3.165 2.161 1.00 25.24 H new ATOM 0 HE1 PHE A 83 4.451 6.745 -1.050 1.00 64.55 H new ATOM 0 HE2 PHE A 83 3.355 3.333 1.335 1.00 50.14 H new ATOM 0 HZ PHE A 83 2.734 5.137 -0.253 1.00 2.21 H new ATOM 1254 N THR A 84 10.345 5.858 3.787 1.00 45.01 N ATOM 1255 CA THR A 84 11.496 5.338 4.529 1.00 21.33 C ATOM 1256 C THR A 84 11.891 3.914 4.045 1.00 22.42 C ATOM 1257 O THR A 84 11.551 3.525 2.923 1.00 1.42 O ATOM 1258 CB THR A 84 11.261 5.479 6.051 1.00 21.42 C ATOM 1259 OG1 THR A 84 10.319 6.493 6.373 1.00 53.45 O ATOM 1260 CG2 THR A 84 12.574 5.851 6.751 1.00 52.14 C ATOM 0 H THR A 84 10.494 6.782 3.382 1.00 45.01 H new ATOM 0 HA THR A 84 12.377 5.943 4.315 1.00 21.33 H new ATOM 0 HB THR A 84 10.877 4.516 6.386 1.00 21.42 H new ATOM 0 HG1 THR A 84 10.207 6.538 7.346 1.00 53.45 H new ATOM 0 HG21 THR A 84 12.400 5.948 7.823 1.00 52.14 H new ATOM 0 HG22 THR A 84 13.315 5.071 6.573 1.00 52.14 H new ATOM 0 HG23 THR A 84 12.942 6.798 6.356 1.00 52.14 H new ATOM 1268 N TRP A 85 12.702 3.174 4.810 1.00 61.41 N ATOM 1269 CA TRP A 85 13.045 1.776 4.540 1.00 10.40 C ATOM 1270 C TRP A 85 12.439 0.777 5.531 1.00 52.33 C ATOM 1271 O TRP A 85 11.984 -0.293 5.120 1.00 11.00 O ATOM 1272 CB TRP A 85 14.574 1.635 4.538 1.00 41.22 C ATOM 1273 CG TRP A 85 15.286 2.174 3.340 1.00 4.40 C ATOM 1274 CD1 TRP A 85 16.370 2.977 3.349 1.00 54.05 C ATOM 1275 CD2 TRP A 85 15.050 1.842 1.943 1.00 63.21 C ATOM 1276 NE1 TRP A 85 16.809 3.176 2.052 1.00 2.11 N ATOM 1277 CE2 TRP A 85 16.056 2.460 1.143 1.00 71.12 C ATOM 1278 CE3 TRP A 85 14.112 1.027 1.280 1.00 43.01 C ATOM 1279 CZ2 TRP A 85 16.142 2.244 -0.245 1.00 61.42 C ATOM 1280 CZ3 TRP A 85 14.179 0.824 -0.105 1.00 73.45 C ATOM 1281 CH2 TRP A 85 15.203 1.411 -0.867 1.00 52.43 C ATOM 0 H TRP A 85 13.147 3.540 5.652 1.00 61.41 H new ATOM 0 HA TRP A 85 12.617 1.529 3.569 1.00 10.40 H new ATOM 0 HB2 TRP A 85 14.965 2.137 5.423 1.00 41.22 H new ATOM 0 HB3 TRP A 85 14.820 0.578 4.636 1.00 41.22 H new ATOM 0 HD1 TRP A 85 16.825 3.400 4.233 1.00 54.05 H new ATOM 0 HE1 TRP A 85 17.593 3.778 1.799 1.00 2.11 H new ATOM 0 HE3 TRP A 85 13.327 0.550 1.849 1.00 43.01 H new ATOM 0 HZ2 TRP A 85 16.923 2.715 -0.824 1.00 61.42 H new ATOM 0 HZ3 TRP A 85 13.436 0.210 -0.592 1.00 73.45 H new ATOM 0 HH2 TRP A 85 15.266 1.221 -1.928 1.00 52.43 H new ATOM 1292 N ASP A 86 12.459 1.101 6.824 1.00 74.35 N ATOM 1293 CA ASP A 86 11.917 0.287 7.915 1.00 44.04 C ATOM 1294 C ASP A 86 10.423 0.063 7.718 1.00 44.32 C ATOM 1295 O ASP A 86 10.018 -1.090 7.578 1.00 72.42 O ATOM 1296 CB ASP A 86 12.247 0.915 9.277 1.00 33.22 C ATOM 1297 CG ASP A 86 11.941 2.409 9.307 1.00 24.40 C ATOM 1298 OD1 ASP A 86 12.826 3.182 8.873 1.00 13.03 O ATOM 1299 OD2 ASP A 86 10.821 2.793 9.685 1.00 53.22 O ATOM 0 H ASP A 86 12.870 1.974 7.155 1.00 74.35 H new ATOM 0 HA ASP A 86 12.392 -0.694 7.899 1.00 44.04 H new ATOM 0 HB2 ASP A 86 11.674 0.412 10.056 1.00 33.22 H new ATOM 0 HB3 ASP A 86 13.301 0.756 9.503 1.00 33.22 H new ATOM 1304 N TYR A 87 9.643 1.140 7.632 1.00 11.30 N ATOM 1305 CA TYR A 87 8.217 1.172 7.319 1.00 70.24 C ATOM 1306 C TYR A 87 7.849 0.276 6.127 1.00 63.33 C ATOM 1307 O TYR A 87 6.879 -0.478 6.196 1.00 61.53 O ATOM 1308 CB TYR A 87 7.855 2.632 7.058 1.00 71.22 C ATOM 1309 CG TYR A 87 6.420 2.848 6.638 1.00 64.33 C ATOM 1310 CD1 TYR A 87 5.392 2.533 7.539 1.00 21.54 C ATOM 1311 CD2 TYR A 87 6.110 3.357 5.361 1.00 3.02 C ATOM 1312 CE1 TYR A 87 4.066 2.824 7.190 1.00 11.12 C ATOM 1313 CE2 TYR A 87 4.787 3.655 5.010 1.00 50.41 C ATOM 1314 CZ TYR A 87 3.762 3.437 5.951 1.00 10.22 C ATOM 1315 OH TYR A 87 2.483 3.779 5.649 1.00 31.52 O ATOM 0 H TYR A 87 10.017 2.076 7.790 1.00 11.30 H new ATOM 0 HA TYR A 87 7.646 0.771 8.156 1.00 70.24 H new ATOM 0 HB2 TYR A 87 8.048 3.210 7.962 1.00 71.22 H new ATOM 0 HB3 TYR A 87 8.512 3.025 6.282 1.00 71.22 H new ATOM 0 HD1 TYR A 87 5.619 2.072 8.489 1.00 21.54 H new ATOM 0 HD2 TYR A 87 6.902 3.519 4.645 1.00 3.02 H new ATOM 0 HE1 TYR A 87 3.267 2.578 7.874 1.00 11.12 H new ATOM 0 HE2 TYR A 87 4.556 4.047 4.030 1.00 50.41 H new ATOM 0 HH TYR A 87 2.245 3.412 4.772 1.00 31.52 H new ATOM 1325 N LEU A 88 8.630 0.305 5.041 1.00 5.34 N ATOM 1326 CA LEU A 88 8.371 -0.545 3.883 1.00 4.04 C ATOM 1327 C LEU A 88 8.411 -2.021 4.273 1.00 61.51 C ATOM 1328 O LEU A 88 7.463 -2.761 4.000 1.00 53.12 O ATOM 1329 CB LEU A 88 9.348 -0.255 2.736 1.00 2.03 C ATOM 1330 CG LEU A 88 8.981 0.987 1.913 1.00 12.32 C ATOM 1331 CD1 LEU A 88 10.121 1.293 0.942 1.00 2.30 C ATOM 1332 CD2 LEU A 88 7.675 0.805 1.121 1.00 33.22 C ATOM 0 H LEU A 88 9.446 0.910 4.944 1.00 5.34 H new ATOM 0 HA LEU A 88 7.369 -0.312 3.524 1.00 4.04 H new ATOM 0 HB2 LEU A 88 10.349 -0.125 3.147 1.00 2.03 H new ATOM 0 HB3 LEU A 88 9.385 -1.121 2.074 1.00 2.03 H new ATOM 0 HG LEU A 88 8.827 1.812 2.609 1.00 12.32 H new ATOM 0 HD11 LEU A 88 9.870 2.174 0.352 1.00 2.30 H new ATOM 0 HD12 LEU A 88 11.036 1.481 1.503 1.00 2.30 H new ATOM 0 HD13 LEU A 88 10.271 0.442 0.277 1.00 2.30 H new ATOM 0 HD21 LEU A 88 7.462 1.713 0.557 1.00 33.22 H new ATOM 0 HD22 LEU A 88 7.781 -0.034 0.433 1.00 33.22 H new ATOM 0 HD23 LEU A 88 6.855 0.607 1.812 1.00 33.22 H new ATOM 1344 N TYR A 89 9.496 -2.477 4.899 1.00 31.53 N ATOM 1345 CA TYR A 89 9.604 -3.880 5.300 1.00 14.34 C ATOM 1346 C TYR A 89 8.697 -4.245 6.474 1.00 63.15 C ATOM 1347 O TYR A 89 8.326 -5.409 6.596 1.00 61.11 O ATOM 1348 CB TYR A 89 11.057 -4.230 5.604 1.00 13.20 C ATOM 1349 CG TYR A 89 11.780 -4.876 4.436 1.00 3.31 C ATOM 1350 CD1 TYR A 89 11.246 -5.980 3.742 1.00 4.20 C ATOM 1351 CD2 TYR A 89 13.020 -4.366 4.039 1.00 63.24 C ATOM 1352 CE1 TYR A 89 11.950 -6.540 2.672 1.00 62.23 C ATOM 1353 CE2 TYR A 89 13.744 -4.943 2.991 1.00 3.44 C ATOM 1354 CZ TYR A 89 13.205 -6.034 2.285 1.00 1.32 C ATOM 1355 OH TYR A 89 13.935 -6.639 1.313 1.00 63.52 O ATOM 0 H TYR A 89 10.305 -1.903 5.137 1.00 31.53 H new ATOM 0 HA TYR A 89 9.257 -4.477 4.456 1.00 14.34 H new ATOM 0 HB2 TYR A 89 11.588 -3.323 5.894 1.00 13.20 H new ATOM 0 HB3 TYR A 89 11.089 -4.905 6.459 1.00 13.20 H new ATOM 0 HD1 TYR A 89 10.293 -6.393 4.037 1.00 4.20 H new ATOM 0 HD2 TYR A 89 13.427 -3.508 4.553 1.00 63.24 H new ATOM 0 HE1 TYR A 89 11.524 -7.374 2.134 1.00 62.23 H new ATOM 0 HE2 TYR A 89 14.715 -4.552 2.724 1.00 3.44 H new ATOM 0 HH TYR A 89 14.181 -7.542 1.603 1.00 63.52 H new ATOM 1365 N GLU A 90 8.331 -3.283 7.312 1.00 31.41 N ATOM 1366 CA GLU A 90 7.407 -3.460 8.419 1.00 22.10 C ATOM 1367 C GLU A 90 6.068 -3.959 7.867 1.00 65.21 C ATOM 1368 O GLU A 90 5.606 -5.060 8.185 1.00 11.34 O ATOM 1369 CB GLU A 90 7.290 -2.105 9.147 1.00 44.21 C ATOM 1370 CG GLU A 90 6.013 -1.995 9.983 1.00 2.30 C ATOM 1371 CD GLU A 90 6.129 -0.918 11.053 1.00 50.15 C ATOM 1372 OE1 GLU A 90 6.569 -1.277 12.168 1.00 34.52 O ATOM 1373 OE2 GLU A 90 5.695 0.235 10.807 1.00 34.11 O ATOM 0 H GLU A 90 8.682 -2.328 7.235 1.00 31.41 H new ATOM 0 HA GLU A 90 7.753 -4.204 9.136 1.00 22.10 H new ATOM 0 HB2 GLU A 90 8.156 -1.968 9.794 1.00 44.21 H new ATOM 0 HB3 GLU A 90 7.310 -1.299 8.413 1.00 44.21 H new ATOM 0 HG2 GLU A 90 5.170 -1.770 9.330 1.00 2.30 H new ATOM 0 HG3 GLU A 90 5.803 -2.955 10.455 1.00 2.30 H new ATOM 1380 N LEU A 91 5.472 -3.165 6.977 1.00 50.23 N ATOM 1381 CA LEU A 91 4.187 -3.478 6.370 1.00 72.52 C ATOM 1382 C LEU A 91 4.264 -4.788 5.579 1.00 24.54 C ATOM 1383 O LEU A 91 3.278 -5.522 5.531 1.00 42.11 O ATOM 1384 CB LEU A 91 3.761 -2.321 5.459 1.00 63.53 C ATOM 1385 CG LEU A 91 3.513 -0.970 6.156 1.00 25.54 C ATOM 1386 CD1 LEU A 91 3.236 0.068 5.073 1.00 32.43 C ATOM 1387 CD2 LEU A 91 2.316 -0.975 7.100 1.00 14.11 C ATOM 0 H LEU A 91 5.873 -2.283 6.658 1.00 50.23 H new ATOM 0 HA LEU A 91 3.444 -3.608 7.156 1.00 72.52 H new ATOM 0 HB2 LEU A 91 4.530 -2.180 4.700 1.00 63.53 H new ATOM 0 HB3 LEU A 91 2.849 -2.612 4.938 1.00 63.53 H new ATOM 0 HG LEU A 91 4.398 -0.750 6.753 1.00 25.54 H new ATOM 0 HD11 LEU A 91 3.056 1.038 5.536 1.00 32.43 H new ATOM 0 HD12 LEU A 91 4.096 0.138 4.407 1.00 32.43 H new ATOM 0 HD13 LEU A 91 2.357 -0.229 4.500 1.00 32.43 H new ATOM 0 HD21 LEU A 91 2.206 0.010 7.553 1.00 14.11 H new ATOM 0 HD22 LEU A 91 1.413 -1.221 6.541 1.00 14.11 H new ATOM 0 HD23 LEU A 91 2.472 -1.718 7.882 1.00 14.11 H new ATOM 1399 N ALA A 92 5.439 -5.116 5.022 1.00 74.43 N ATOM 1400 CA ALA A 92 5.676 -6.335 4.256 1.00 41.22 C ATOM 1401 C ALA A 92 5.280 -7.563 5.085 1.00 30.53 C ATOM 1402 O ALA A 92 4.602 -8.450 4.565 1.00 43.21 O ATOM 1403 CB ALA A 92 7.135 -6.404 3.777 1.00 21.52 C ATOM 0 H ALA A 92 6.266 -4.523 5.097 1.00 74.43 H new ATOM 0 HA ALA A 92 5.050 -6.323 3.364 1.00 41.22 H new ATOM 0 HB1 ALA A 92 7.288 -7.321 3.208 1.00 21.52 H new ATOM 0 HB2 ALA A 92 7.351 -5.544 3.143 1.00 21.52 H new ATOM 0 HB3 ALA A 92 7.802 -6.396 4.639 1.00 21.52 H new ATOM 1409 N THR A 93 5.689 -7.622 6.358 1.00 3.33 N ATOM 1410 CA THR A 93 5.419 -8.758 7.236 1.00 33.54 C ATOM 1411 C THR A 93 4.061 -8.610 7.942 1.00 31.11 C ATOM 1412 O THR A 93 3.308 -9.581 8.052 1.00 30.53 O ATOM 1413 CB THR A 93 6.625 -9.005 8.166 1.00 41.41 C ATOM 1414 OG1 THR A 93 6.425 -10.124 8.996 1.00 12.40 O ATOM 1415 CG2 THR A 93 7.021 -7.812 9.023 1.00 74.34 C ATOM 0 H THR A 93 6.220 -6.876 6.807 1.00 3.33 H new ATOM 0 HA THR A 93 5.313 -9.669 6.648 1.00 33.54 H new ATOM 0 HB THR A 93 7.452 -9.191 7.480 1.00 41.41 H new ATOM 0 HG1 THR A 93 7.210 -10.250 9.570 1.00 12.40 H new ATOM 0 HG21 THR A 93 7.877 -8.078 9.644 1.00 74.34 H new ATOM 0 HG22 THR A 93 7.286 -6.974 8.379 1.00 74.34 H new ATOM 0 HG23 THR A 93 6.184 -7.529 9.661 1.00 74.34 H new ATOM 1423 N ARG A 94 3.670 -7.398 8.363 1.00 22.40 N ATOM 1424 CA ARG A 94 2.401 -7.188 9.074 1.00 13.23 C ATOM 1425 C ARG A 94 1.181 -7.408 8.183 1.00 33.44 C ATOM 1426 O ARG A 94 0.083 -7.556 8.719 1.00 14.03 O ATOM 1427 CB ARG A 94 2.387 -5.794 9.717 1.00 45.11 C ATOM 1428 CG ARG A 94 3.343 -5.710 10.915 1.00 4.01 C ATOM 1429 CD ARG A 94 2.653 -5.478 12.275 1.00 32.12 C ATOM 1430 NE ARG A 94 1.620 -6.464 12.656 1.00 14.33 N ATOM 1431 CZ ARG A 94 1.760 -7.768 12.933 1.00 41.10 C ATOM 1432 NH1 ARG A 94 2.901 -8.412 12.717 1.00 70.33 N ATOM 1433 NH2 ARG A 94 0.732 -8.436 13.442 1.00 43.34 N ATOM 0 H ARG A 94 4.216 -6.548 8.223 1.00 22.40 H new ATOM 0 HA ARG A 94 2.334 -7.940 9.860 1.00 13.23 H new ATOM 0 HB2 ARG A 94 2.669 -5.048 8.974 1.00 45.11 H new ATOM 0 HB3 ARG A 94 1.375 -5.554 10.042 1.00 45.11 H new ATOM 0 HG2 ARG A 94 3.919 -6.634 10.968 1.00 4.01 H new ATOM 0 HG3 ARG A 94 4.053 -4.901 10.740 1.00 4.01 H new ATOM 0 HD2 ARG A 94 3.419 -5.466 13.051 1.00 32.12 H new ATOM 0 HD3 ARG A 94 2.196 -4.489 12.263 1.00 32.12 H new ATOM 0 HE ARG A 94 0.668 -6.102 12.717 1.00 14.33 H new ATOM 0 HH11 ARG A 94 3.702 -7.914 12.330 1.00 70.33 H new ATOM 0 HH12 ARG A 94 2.976 -9.405 12.938 1.00 70.33 H new ATOM 0 HH21 ARG A 94 -0.151 -7.957 13.618 1.00 43.34 H new ATOM 0 HH22 ARG A 94 0.825 -9.429 13.657 1.00 43.34 H new ATOM 1447 N LYS A 95 1.349 -7.480 6.854 1.00 50.01 N ATOM 1448 CA LYS A 95 0.279 -7.348 5.865 1.00 43.14 C ATOM 1449 C LYS A 95 -0.982 -8.125 6.215 1.00 11.42 C ATOM 1450 O LYS A 95 -2.061 -7.551 6.123 1.00 10.41 O ATOM 1451 CB LYS A 95 0.796 -7.764 4.476 1.00 74.21 C ATOM 1452 CG LYS A 95 -0.320 -8.011 3.437 1.00 42.40 C ATOM 1453 CD LYS A 95 0.253 -8.142 2.021 1.00 50.40 C ATOM 1454 CE LYS A 95 -0.333 -9.297 1.212 1.00 25.44 C ATOM 1455 NZ LYS A 95 -1.785 -9.198 0.982 1.00 21.53 N ATOM 0 H LYS A 95 2.263 -7.637 6.429 1.00 50.01 H new ATOM 0 HA LYS A 95 -0.009 -6.297 5.861 1.00 43.14 H new ATOM 0 HB2 LYS A 95 1.462 -6.987 4.100 1.00 74.21 H new ATOM 0 HB3 LYS A 95 1.390 -8.672 4.578 1.00 74.21 H new ATOM 0 HG2 LYS A 95 -0.866 -8.918 3.696 1.00 42.40 H new ATOM 0 HG3 LYS A 95 -1.036 -7.189 3.467 1.00 42.40 H new ATOM 0 HD2 LYS A 95 0.077 -7.211 1.483 1.00 50.40 H new ATOM 0 HD3 LYS A 95 1.333 -8.272 2.089 1.00 50.40 H new ATOM 0 HE2 LYS A 95 0.174 -9.345 0.248 1.00 25.44 H new ATOM 0 HE3 LYS A 95 -0.121 -10.233 1.730 1.00 25.44 H new ATOM 0 HZ1 LYS A 95 -2.105 -10.017 0.427 1.00 21.53 H new ATOM 0 HZ2 LYS A 95 -2.281 -9.184 1.896 1.00 21.53 H new ATOM 0 HZ3 LYS A 95 -1.995 -8.323 0.460 1.00 21.53 H new ATOM 1469 N ASP A 96 -0.845 -9.398 6.574 1.00 64.22 N ATOM 1470 CA ASP A 96 -1.945 -10.297 6.936 1.00 10.01 C ATOM 1471 C ASP A 96 -2.929 -9.649 7.918 1.00 62.22 C ATOM 1472 O ASP A 96 -4.134 -9.639 7.681 1.00 42.20 O ATOM 1473 CB ASP A 96 -1.315 -11.571 7.518 1.00 63.21 C ATOM 1474 CG ASP A 96 -2.314 -12.636 7.962 1.00 14.24 C ATOM 1475 OD1 ASP A 96 -3.279 -12.933 7.222 1.00 5.42 O ATOM 1476 OD2 ASP A 96 -2.070 -13.245 9.037 1.00 43.22 O ATOM 0 H ASP A 96 0.067 -9.852 6.624 1.00 64.22 H new ATOM 0 HA ASP A 96 -2.539 -10.533 6.053 1.00 10.01 H new ATOM 0 HB2 ASP A 96 -0.651 -12.005 6.770 1.00 63.21 H new ATOM 0 HB3 ASP A 96 -0.696 -11.296 8.372 1.00 63.21 H new ATOM 1481 N GLN A 97 -2.408 -9.045 8.987 1.00 71.30 N ATOM 1482 CA GLN A 97 -3.181 -8.381 10.028 1.00 1.42 C ATOM 1483 C GLN A 97 -3.813 -7.087 9.497 1.00 61.52 C ATOM 1484 O GLN A 97 -4.997 -6.808 9.690 1.00 53.14 O ATOM 1485 CB GLN A 97 -2.199 -8.093 11.184 1.00 34.35 C ATOM 1486 CG GLN A 97 -2.871 -7.650 12.481 1.00 25.31 C ATOM 1487 CD GLN A 97 -3.827 -8.714 13.007 1.00 64.31 C ATOM 1488 OE1 GLN A 97 -3.417 -9.771 13.483 1.00 53.11 O ATOM 1489 NE2 GLN A 97 -5.114 -8.508 12.828 1.00 4.11 N ATOM 0 H GLN A 97 -1.403 -9.005 9.154 1.00 71.30 H new ATOM 0 HA GLN A 97 -4.005 -9.008 10.368 1.00 1.42 H new ATOM 0 HB2 GLN A 97 -1.613 -8.991 11.380 1.00 34.35 H new ATOM 0 HB3 GLN A 97 -1.500 -7.319 10.867 1.00 34.35 H new ATOM 0 HG2 GLN A 97 -2.110 -7.440 13.233 1.00 25.31 H new ATOM 0 HG3 GLN A 97 -3.416 -6.722 12.311 1.00 25.31 H new ATOM 0 HE21 GLN A 97 -5.439 -7.626 12.432 1.00 4.11 H new ATOM 0 HE22 GLN A 97 -5.787 -9.230 13.085 1.00 4.11 H new ATOM 1498 N LEU A 98 -2.985 -6.288 8.831 1.00 21.42 N ATOM 1499 CA LEU A 98 -3.299 -4.948 8.340 1.00 64.32 C ATOM 1500 C LEU A 98 -4.400 -4.981 7.294 1.00 12.02 C ATOM 1501 O LEU A 98 -5.271 -4.112 7.263 1.00 50.11 O ATOM 1502 CB LEU A 98 -2.036 -4.344 7.706 1.00 64.13 C ATOM 1503 CG LEU A 98 -0.835 -4.263 8.657 1.00 45.21 C ATOM 1504 CD1 LEU A 98 0.334 -3.549 7.992 1.00 45.01 C ATOM 1505 CD2 LEU A 98 -1.177 -3.565 9.958 1.00 10.01 C ATOM 0 H LEU A 98 -2.031 -6.570 8.608 1.00 21.42 H new ATOM 0 HA LEU A 98 -3.642 -4.347 9.182 1.00 64.32 H new ATOM 0 HB2 LEU A 98 -1.758 -4.940 6.837 1.00 64.13 H new ATOM 0 HB3 LEU A 98 -2.268 -3.342 7.344 1.00 64.13 H new ATOM 0 HG LEU A 98 -0.553 -5.290 8.889 1.00 45.21 H new ATOM 0 HD11 LEU A 98 1.174 -3.503 8.685 1.00 45.01 H new ATOM 0 HD12 LEU A 98 0.632 -4.094 7.096 1.00 45.01 H new ATOM 0 HD13 LEU A 98 0.034 -2.537 7.718 1.00 45.01 H new ATOM 0 HD21 LEU A 98 -0.294 -3.533 10.597 1.00 10.01 H new ATOM 0 HD22 LEU A 98 -1.510 -2.549 9.749 1.00 10.01 H new ATOM 0 HD23 LEU A 98 -1.973 -4.111 10.465 1.00 10.01 H new ATOM 1517 N TRP A 99 -4.343 -5.977 6.413 1.00 51.24 N ATOM 1518 CA TRP A 99 -5.297 -6.158 5.344 1.00 31.11 C ATOM 1519 C TRP A 99 -6.685 -6.372 5.932 1.00 2.11 C ATOM 1520 O TRP A 99 -7.613 -5.659 5.552 1.00 71.51 O ATOM 1521 CB TRP A 99 -4.848 -7.312 4.441 1.00 5.02 C ATOM 1522 CG TRP A 99 -5.673 -7.469 3.208 1.00 32.12 C ATOM 1523 CD1 TRP A 99 -6.347 -8.583 2.844 1.00 10.45 C ATOM 1524 CD2 TRP A 99 -5.994 -6.455 2.211 1.00 52.01 C ATOM 1525 NE1 TRP A 99 -7.023 -8.341 1.667 1.00 65.12 N ATOM 1526 CE2 TRP A 99 -6.907 -7.025 1.280 1.00 72.53 C ATOM 1527 CE3 TRP A 99 -5.633 -5.103 2.016 1.00 4.41 C ATOM 1528 CZ2 TRP A 99 -7.470 -6.283 0.234 1.00 3.41 C ATOM 1529 CZ3 TRP A 99 -6.175 -4.351 0.959 1.00 44.44 C ATOM 1530 CH2 TRP A 99 -7.098 -4.936 0.076 1.00 10.34 C ATOM 0 H TRP A 99 -3.614 -6.690 6.431 1.00 51.24 H new ATOM 0 HA TRP A 99 -5.346 -5.266 4.720 1.00 31.11 H new ATOM 0 HB2 TRP A 99 -3.809 -7.153 4.153 1.00 5.02 H new ATOM 0 HB3 TRP A 99 -4.882 -8.241 5.010 1.00 5.02 H new ATOM 0 HD1 TRP A 99 -6.355 -9.515 3.389 1.00 10.45 H new ATOM 0 HE1 TRP A 99 -7.544 -9.048 1.148 1.00 65.12 H new ATOM 0 HE3 TRP A 99 -4.929 -4.639 2.691 1.00 4.41 H new ATOM 0 HZ2 TRP A 99 -8.179 -6.738 -0.441 1.00 3.41 H new ATOM 0 HZ3 TRP A 99 -5.881 -3.320 0.825 1.00 44.44 H new ATOM 0 HH2 TRP A 99 -7.523 -4.350 -0.726 1.00 10.34 H new ATOM 1541 N ALA A 100 -6.811 -7.287 6.899 1.00 1.33 N ATOM 1542 CA ALA A 100 -8.078 -7.529 7.575 1.00 33.34 C ATOM 1543 C ALA A 100 -8.662 -6.249 8.191 1.00 23.35 C ATOM 1544 O ALA A 100 -9.881 -6.068 8.164 1.00 1.11 O ATOM 1545 CB ALA A 100 -7.881 -8.607 8.648 1.00 74.42 C ATOM 0 H ALA A 100 -6.043 -7.872 7.228 1.00 1.33 H new ATOM 0 HA ALA A 100 -8.798 -7.875 6.833 1.00 33.34 H new ATOM 0 HB1 ALA A 100 -8.827 -8.791 9.157 1.00 74.42 H new ATOM 0 HB2 ALA A 100 -7.536 -9.528 8.179 1.00 74.42 H new ATOM 0 HB3 ALA A 100 -7.140 -8.269 9.372 1.00 74.42 H new ATOM 1551 N ASP A 101 -7.821 -5.355 8.718 1.00 10.41 N ATOM 1552 CA ASP A 101 -8.280 -4.077 9.271 1.00 4.23 C ATOM 1553 C ASP A 101 -8.905 -3.226 8.172 1.00 62.53 C ATOM 1554 O ASP A 101 -10.035 -2.759 8.304 1.00 22.41 O ATOM 1555 CB ASP A 101 -7.136 -3.327 9.988 1.00 13.15 C ATOM 1556 CG ASP A 101 -7.455 -3.137 11.472 1.00 1.01 C ATOM 1557 OD1 ASP A 101 -7.889 -4.137 12.092 1.00 52.20 O ATOM 1558 OD2 ASP A 101 -7.163 -2.064 12.041 1.00 33.22 O ATOM 0 H ASP A 101 -6.812 -5.494 8.774 1.00 10.41 H new ATOM 0 HA ASP A 101 -9.043 -4.281 10.022 1.00 4.23 H new ATOM 0 HB2 ASP A 101 -6.206 -3.885 9.880 1.00 13.15 H new ATOM 0 HB3 ASP A 101 -6.981 -2.356 9.518 1.00 13.15 H new ATOM 1563 N TYR A 102 -8.212 -3.085 7.040 1.00 52.31 N ATOM 1564 CA TYR A 102 -8.713 -2.319 5.915 1.00 2.13 C ATOM 1565 C TYR A 102 -10.010 -2.866 5.320 1.00 50.02 C ATOM 1566 O TYR A 102 -10.801 -2.096 4.768 1.00 70.31 O ATOM 1567 CB TYR A 102 -7.632 -2.252 4.842 1.00 14.02 C ATOM 1568 CG TYR A 102 -6.612 -1.167 5.102 1.00 31.11 C ATOM 1569 CD1 TYR A 102 -7.020 0.167 5.306 1.00 12.15 C ATOM 1570 CD2 TYR A 102 -5.255 -1.505 5.209 1.00 12.22 C ATOM 1571 CE1 TYR A 102 -6.078 1.155 5.637 1.00 72.41 C ATOM 1572 CE2 TYR A 102 -4.313 -0.521 5.531 1.00 3.04 C ATOM 1573 CZ TYR A 102 -4.717 0.812 5.768 1.00 74.51 C ATOM 1574 OH TYR A 102 -3.801 1.747 6.128 1.00 5.05 O ATOM 0 H TYR A 102 -7.293 -3.499 6.885 1.00 52.31 H new ATOM 0 HA TYR A 102 -8.956 -1.325 6.290 1.00 2.13 H new ATOM 0 HB2 TYR A 102 -7.124 -3.215 4.784 1.00 14.02 H new ATOM 0 HB3 TYR A 102 -8.100 -2.080 3.873 1.00 14.02 H new ATOM 0 HD1 TYR A 102 -8.063 0.431 5.207 1.00 12.15 H new ATOM 0 HD2 TYR A 102 -4.937 -2.524 5.043 1.00 12.22 H new ATOM 0 HE1 TYR A 102 -6.396 2.176 5.791 1.00 72.41 H new ATOM 0 HE2 TYR A 102 -3.268 -0.783 5.599 1.00 3.04 H new ATOM 0 HH TYR A 102 -3.764 2.449 5.445 1.00 5.05 H new ATOM 1584 N LEU A 103 -10.240 -4.178 5.354 1.00 65.12 N ATOM 1585 CA LEU A 103 -11.537 -4.742 4.978 1.00 43.44 C ATOM 1586 C LEU A 103 -12.636 -4.217 5.892 1.00 12.04 C ATOM 1587 O LEU A 103 -13.700 -3.855 5.387 1.00 34.53 O ATOM 1588 CB LEU A 103 -11.562 -6.281 5.035 1.00 1.01 C ATOM 1589 CG LEU A 103 -11.068 -7.056 3.803 1.00 63.14 C ATOM 1590 CD1 LEU A 103 -11.665 -6.532 2.497 1.00 70.10 C ATOM 1591 CD2 LEU A 103 -9.553 -7.086 3.661 1.00 12.11 C ATOM 0 H LEU A 103 -9.546 -4.870 5.638 1.00 65.12 H new ATOM 0 HA LEU A 103 -11.708 -4.432 3.947 1.00 43.44 H new ATOM 0 HB2 LEU A 103 -10.961 -6.593 5.889 1.00 1.01 H new ATOM 0 HB3 LEU A 103 -12.587 -6.591 5.236 1.00 1.01 H new ATOM 0 HG LEU A 103 -11.417 -8.073 3.983 1.00 63.14 H new ATOM 0 HD11 LEU A 103 -11.281 -7.117 1.661 1.00 70.10 H new ATOM 0 HD12 LEU A 103 -12.751 -6.620 2.532 1.00 70.10 H new ATOM 0 HD13 LEU A 103 -11.389 -5.486 2.365 1.00 70.10 H new ATOM 0 HD21 LEU A 103 -9.282 -7.651 2.769 1.00 12.11 H new ATOM 0 HD22 LEU A 103 -9.175 -6.067 3.574 1.00 12.11 H new ATOM 0 HD23 LEU A 103 -9.115 -7.562 4.538 1.00 12.11 H new ATOM 1603 N ALA A 104 -12.411 -4.214 7.208 1.00 3.33 N ATOM 1604 CA ALA A 104 -13.411 -3.760 8.163 1.00 71.44 C ATOM 1605 C ALA A 104 -13.697 -2.272 7.949 1.00 32.54 C ATOM 1606 O ALA A 104 -14.863 -1.885 7.892 1.00 53.12 O ATOM 1607 CB ALA A 104 -12.951 -4.047 9.591 1.00 64.52 C ATOM 0 H ALA A 104 -11.537 -4.524 7.633 1.00 3.33 H new ATOM 0 HA ALA A 104 -14.340 -4.308 8.002 1.00 71.44 H new ATOM 0 HB1 ALA A 104 -13.709 -3.702 10.294 1.00 64.52 H new ATOM 0 HB2 ALA A 104 -12.801 -5.119 9.716 1.00 64.52 H new ATOM 0 HB3 ALA A 104 -12.014 -3.525 9.783 1.00 64.52 H new ATOM 1613 N GLU A 105 -12.653 -1.466 7.750 1.00 53.44 N ATOM 1614 CA GLU A 105 -12.738 -0.045 7.427 1.00 71.30 C ATOM 1615 C GLU A 105 -13.681 0.180 6.252 1.00 10.25 C ATOM 1616 O GLU A 105 -14.661 0.914 6.366 1.00 73.34 O ATOM 1617 CB GLU A 105 -11.340 0.488 7.095 1.00 74.53 C ATOM 1618 CG GLU A 105 -10.591 0.982 8.331 1.00 62.42 C ATOM 1619 CD GLU A 105 -10.660 2.502 8.431 1.00 62.51 C ATOM 1620 OE1 GLU A 105 -11.619 3.037 9.021 1.00 13.43 O ATOM 1621 OE2 GLU A 105 -9.748 3.163 7.874 1.00 5.34 O ATOM 0 H GLU A 105 -11.691 -1.799 7.812 1.00 53.44 H new ATOM 0 HA GLU A 105 -13.133 0.492 8.289 1.00 71.30 H new ATOM 0 HB2 GLU A 105 -10.760 -0.299 6.614 1.00 74.53 H new ATOM 0 HB3 GLU A 105 -11.427 1.304 6.377 1.00 74.53 H new ATOM 0 HG2 GLU A 105 -11.021 0.534 9.227 1.00 62.42 H new ATOM 0 HG3 GLU A 105 -9.550 0.663 8.283 1.00 62.42 H new ATOM 1628 N LEU A 106 -13.412 -0.468 5.117 1.00 21.22 N ATOM 1629 CA LEU A 106 -14.237 -0.312 3.925 1.00 50.24 C ATOM 1630 C LEU A 106 -15.671 -0.766 4.170 1.00 22.34 C ATOM 1631 O LEU A 106 -16.603 -0.105 3.712 1.00 64.22 O ATOM 1632 CB LEU A 106 -13.599 -1.058 2.725 1.00 13.24 C ATOM 1633 CG LEU A 106 -13.175 -0.128 1.568 1.00 61.34 C ATOM 1634 CD1 LEU A 106 -14.228 0.925 1.247 1.00 52.03 C ATOM 1635 CD2 LEU A 106 -11.837 0.526 1.891 1.00 70.22 C ATOM 0 H LEU A 106 -12.626 -1.107 5.002 1.00 21.22 H new ATOM 0 HA LEU A 106 -14.281 0.749 3.680 1.00 50.24 H new ATOM 0 HB2 LEU A 106 -12.726 -1.609 3.074 1.00 13.24 H new ATOM 0 HB3 LEU A 106 -14.310 -1.793 2.347 1.00 13.24 H new ATOM 0 HG LEU A 106 -13.070 -0.744 0.675 1.00 61.34 H new ATOM 0 HD11 LEU A 106 -13.878 1.551 0.426 1.00 52.03 H new ATOM 0 HD12 LEU A 106 -15.157 0.434 0.958 1.00 52.03 H new ATOM 0 HD13 LEU A 106 -14.403 1.544 2.127 1.00 52.03 H new ATOM 0 HD21 LEU A 106 -11.544 1.181 1.070 1.00 70.22 H new ATOM 0 HD22 LEU A 106 -11.929 1.111 2.806 1.00 70.22 H new ATOM 0 HD23 LEU A 106 -11.079 -0.245 2.028 1.00 70.22 H new ATOM 1647 N ALA A 107 -15.842 -1.844 4.936 1.00 52.21 N ATOM 1648 CA ALA A 107 -17.147 -2.378 5.290 1.00 70.20 C ATOM 1649 C ALA A 107 -17.892 -1.500 6.305 1.00 74.14 C ATOM 1650 O ALA A 107 -19.077 -1.739 6.545 1.00 74.13 O ATOM 1651 CB ALA A 107 -16.976 -3.797 5.832 1.00 10.43 C ATOM 0 H ALA A 107 -15.065 -2.374 5.330 1.00 52.21 H new ATOM 0 HA ALA A 107 -17.759 -2.391 4.388 1.00 70.20 H new ATOM 0 HB1 ALA A 107 -17.951 -4.204 6.100 1.00 10.43 H new ATOM 0 HB2 ALA A 107 -16.518 -4.425 5.068 1.00 10.43 H new ATOM 0 HB3 ALA A 107 -16.337 -3.775 6.715 1.00 10.43 H new ATOM 1657 N SER A 108 -17.243 -0.494 6.895 1.00 4.25 N ATOM 1658 CA SER A 108 -17.837 0.465 7.819 1.00 51.44 C ATOM 1659 C SER A 108 -18.042 1.826 7.143 1.00 1.12 C ATOM 1660 O SER A 108 -18.994 2.538 7.473 1.00 51.11 O ATOM 1661 CB SER A 108 -16.920 0.587 9.043 1.00 53.30 C ATOM 1662 OG SER A 108 -17.545 1.326 10.080 1.00 41.03 O ATOM 0 H SER A 108 -16.251 -0.321 6.734 1.00 4.25 H new ATOM 0 HA SER A 108 -18.821 0.116 8.132 1.00 51.44 H new ATOM 0 HB2 SER A 108 -16.660 -0.407 9.407 1.00 53.30 H new ATOM 0 HB3 SER A 108 -15.988 1.075 8.756 1.00 53.30 H new ATOM 0 HG SER A 108 -16.940 1.387 10.848 1.00 41.03 H new ATOM 1668 N ALA A 109 -17.168 2.216 6.212 1.00 22.45 N ATOM 1669 CA ALA A 109 -17.186 3.533 5.588 1.00 64.13 C ATOM 1670 C ALA A 109 -18.399 3.753 4.685 1.00 14.03 C ATOM 1671 O ALA A 109 -18.700 4.903 4.340 1.00 13.11 O ATOM 1672 CB ALA A 109 -15.915 3.703 4.755 1.00 53.22 C ATOM 0 H ALA A 109 -16.419 1.615 5.869 1.00 22.45 H new ATOM 0 HA ALA A 109 -17.242 4.268 6.390 1.00 64.13 H new ATOM 0 HB1 ALA A 109 -15.918 4.686 4.283 1.00 53.22 H new ATOM 0 HB2 ALA A 109 -15.042 3.613 5.401 1.00 53.22 H new ATOM 0 HB3 ALA A 109 -15.878 2.931 3.986 1.00 53.22 H new ATOM 1678 N GLY A 110 -19.065 2.676 4.260 1.00 50.41 N ATOM 1679 CA GLY A 110 -20.032 2.707 3.179 1.00 74.20 C ATOM 1680 C GLY A 110 -19.366 3.227 1.913 1.00 13.13 C ATOM 1681 O GLY A 110 -19.913 4.121 1.266 1.00 43.10 O ATOM 0 H GLY A 110 -18.940 1.749 4.668 1.00 50.41 H new ATOM 0 HA2 GLY A 110 -20.433 1.708 3.007 1.00 74.20 H new ATOM 0 HA3 GLY A 110 -20.873 3.346 3.448 1.00 74.20 H new ATOM 1685 N LYS A 111 -18.165 2.734 1.600 1.00 3.04 N ATOM 1686 CA LYS A 111 -17.551 2.887 0.286 1.00 23.32 C ATOM 1687 C LYS A 111 -17.273 1.489 -0.221 1.00 25.12 C ATOM 1688 O LYS A 111 -17.670 0.505 0.412 1.00 11.33 O ATOM 1689 CB LYS A 111 -16.263 3.711 0.380 1.00 63.13 C ATOM 1690 CG LYS A 111 -16.457 5.115 0.952 1.00 32.14 C ATOM 1691 CD LYS A 111 -17.184 5.984 -0.074 1.00 33.52 C ATOM 1692 CE LYS A 111 -17.469 7.342 0.544 1.00 42.03 C ATOM 1693 NZ LYS A 111 -18.515 8.061 -0.208 1.00 72.13 N ATOM 0 H LYS A 111 -17.589 2.213 2.261 1.00 3.04 H new ATOM 0 HA LYS A 111 -18.209 3.423 -0.398 1.00 23.32 H new ATOM 0 HB2 LYS A 111 -15.546 3.174 1.001 1.00 63.13 H new ATOM 0 HB3 LYS A 111 -15.825 3.794 -0.614 1.00 63.13 H new ATOM 0 HG2 LYS A 111 -17.032 5.067 1.877 1.00 32.14 H new ATOM 0 HG3 LYS A 111 -15.491 5.556 1.199 1.00 32.14 H new ATOM 0 HD2 LYS A 111 -16.574 6.098 -0.970 1.00 33.52 H new ATOM 0 HD3 LYS A 111 -18.115 5.507 -0.380 1.00 33.52 H new ATOM 0 HE2 LYS A 111 -17.784 7.214 1.580 1.00 42.03 H new ATOM 0 HE3 LYS A 111 -16.555 7.936 0.560 1.00 42.03 H new ATOM 0 HZ1 LYS A 111 -18.689 8.985 0.236 1.00 72.13 H new ATOM 0 HZ2 LYS A 111 -18.202 8.202 -1.190 1.00 72.13 H new ATOM 0 HZ3 LYS A 111 -19.393 7.503 -0.202 1.00 72.13 H new ATOM 1707 N SER A 112 -16.541 1.345 -1.317 1.00 62.44 N ATOM 1708 CA SER A 112 -15.968 0.055 -1.630 1.00 45.00 C ATOM 1709 C SER A 112 -14.629 0.135 -2.318 1.00 14.03 C ATOM 1710 O SER A 112 -14.187 1.162 -2.822 1.00 54.43 O ATOM 1711 CB SER A 112 -16.993 -0.740 -2.427 1.00 34.34 C ATOM 1712 OG SER A 112 -17.960 -1.277 -1.541 1.00 71.54 O ATOM 0 H SER A 112 -16.337 2.088 -1.986 1.00 62.44 H new ATOM 0 HA SER A 112 -15.746 -0.462 -0.697 1.00 45.00 H new ATOM 0 HB2 SER A 112 -17.475 -0.098 -3.164 1.00 34.34 H new ATOM 0 HB3 SER A 112 -16.501 -1.542 -2.976 1.00 34.34 H new ATOM 0 HG SER A 112 -17.786 -0.954 -0.632 1.00 71.54 H new ATOM 1718 N ARG A 113 -13.956 -1.010 -2.269 1.00 4.34 N ATOM 1719 CA ARG A 113 -12.737 -1.237 -3.016 1.00 53.41 C ATOM 1720 C ARG A 113 -13.015 -1.022 -4.497 1.00 22.34 C ATOM 1721 O ARG A 113 -12.155 -0.487 -5.193 1.00 4.02 O ATOM 1722 CB ARG A 113 -12.247 -2.660 -2.740 1.00 64.41 C ATOM 1723 CG ARG A 113 -11.908 -2.867 -1.247 1.00 53.24 C ATOM 1724 CD ARG A 113 -11.272 -4.235 -1.005 1.00 30.23 C ATOM 1725 NE ARG A 113 -10.018 -4.337 -1.757 1.00 12.42 N ATOM 1726 CZ ARG A 113 -9.593 -5.337 -2.528 1.00 63.53 C ATOM 1727 NH1 ARG A 113 -10.250 -6.487 -2.628 1.00 41.34 N ATOM 1728 NH2 ARG A 113 -8.473 -5.176 -3.217 1.00 24.11 N ATOM 0 H ARG A 113 -14.248 -1.808 -1.704 1.00 4.34 H new ATOM 0 HA ARG A 113 -11.958 -0.538 -2.710 1.00 53.41 H new ATOM 0 HB2 ARG A 113 -13.013 -3.374 -3.042 1.00 64.41 H new ATOM 0 HB3 ARG A 113 -11.364 -2.865 -3.346 1.00 64.41 H new ATOM 0 HG2 ARG A 113 -11.227 -2.083 -0.915 1.00 53.24 H new ATOM 0 HG3 ARG A 113 -12.815 -2.775 -0.650 1.00 53.24 H new ATOM 0 HD2 ARG A 113 -11.082 -4.375 0.059 1.00 30.23 H new ATOM 0 HD3 ARG A 113 -11.957 -5.025 -1.313 1.00 30.23 H new ATOM 0 HE ARG A 113 -9.389 -3.538 -1.680 1.00 12.42 H new ATOM 0 HH11 ARG A 113 -11.113 -6.629 -2.103 1.00 41.34 H new ATOM 0 HH12 ARG A 113 -9.891 -7.229 -3.230 1.00 41.34 H new ATOM 0 HH21 ARG A 113 -7.955 -4.300 -3.151 1.00 24.11 H new ATOM 0 HH22 ARG A 113 -8.129 -5.928 -3.814 1.00 24.11 H new ATOM 1742 N ASP A 114 -14.186 -1.450 -4.964 1.00 4.43 N ATOM 1743 CA ASP A 114 -14.634 -1.259 -6.339 1.00 51.21 C ATOM 1744 C ASP A 114 -14.625 0.233 -6.657 1.00 3.24 C ATOM 1745 O ASP A 114 -14.970 1.028 -5.782 1.00 33.24 O ATOM 1746 CB ASP A 114 -16.070 -1.778 -6.484 1.00 22.41 C ATOM 1747 CG ASP A 114 -16.180 -3.291 -6.376 1.00 42.10 C ATOM 1748 OD1 ASP A 114 -15.937 -3.829 -5.269 1.00 64.11 O ATOM 1749 OD2 ASP A 114 -16.491 -3.937 -7.399 1.00 21.44 O ATOM 0 H ASP A 114 -14.862 -1.949 -4.385 1.00 4.43 H new ATOM 0 HA ASP A 114 -13.973 -1.798 -7.017 1.00 51.21 H new ATOM 0 HB2 ASP A 114 -16.693 -1.320 -5.716 1.00 22.41 H new ATOM 0 HB3 ASP A 114 -16.468 -1.460 -7.448 1.00 22.41 H new ATOM 1754 N PRO A 115 -14.287 0.636 -7.892 1.00 34.44 N ATOM 1755 CA PRO A 115 -14.204 2.045 -8.232 1.00 25.42 C ATOM 1756 C PRO A 115 -15.587 2.680 -8.272 1.00 71.10 C ATOM 1757 O PRO A 115 -15.777 3.800 -7.795 1.00 10.21 O ATOM 1758 CB PRO A 115 -13.489 2.097 -9.585 1.00 12.15 C ATOM 1759 CG PRO A 115 -13.858 0.756 -10.221 1.00 41.20 C ATOM 1760 CD PRO A 115 -13.925 -0.196 -9.029 1.00 65.13 C ATOM 0 HA PRO A 115 -13.654 2.618 -7.486 1.00 25.42 H new ATOM 0 HB2 PRO A 115 -13.830 2.938 -10.189 1.00 12.15 H new ATOM 0 HB3 PRO A 115 -12.411 2.205 -9.468 1.00 12.15 H new ATOM 0 HG2 PRO A 115 -14.812 0.810 -10.746 1.00 41.20 H new ATOM 0 HG3 PRO A 115 -13.111 0.437 -10.948 1.00 41.20 H new ATOM 0 HD2 PRO A 115 -14.664 -0.980 -9.193 1.00 65.13 H new ATOM 0 HD3 PRO A 115 -12.967 -0.690 -8.866 1.00 65.13 H new ATOM 1768 N ASP A 116 -16.570 1.962 -8.801 1.00 71.10 N ATOM 1769 CA ASP A 116 -17.918 2.469 -8.973 1.00 3.22 C ATOM 1770 C ASP A 116 -18.902 1.447 -8.440 1.00 11.23 C ATOM 1771 O ASP A 116 -19.636 0.784 -9.174 1.00 73.30 O ATOM 1772 CB ASP A 116 -18.169 2.881 -10.421 1.00 21.52 C ATOM 1773 CG ASP A 116 -19.337 3.860 -10.506 1.00 24.32 C ATOM 1774 OD1 ASP A 116 -20.264 3.819 -9.668 1.00 74.52 O ATOM 1775 OD2 ASP A 116 -19.285 4.737 -11.397 1.00 13.25 O ATOM 0 H ASP A 116 -16.449 1.002 -9.125 1.00 71.10 H new ATOM 0 HA ASP A 116 -18.058 3.382 -8.394 1.00 3.22 H new ATOM 0 HB2 ASP A 116 -17.271 3.341 -10.835 1.00 21.52 H new ATOM 0 HB3 ASP A 116 -18.382 1.999 -11.024 1.00 21.52 H new ATOM 1780 N GLU A 117 -18.865 1.272 -7.123 1.00 24.13 N ATOM 1781 CA GLU A 117 -19.853 0.518 -6.414 1.00 71.14 C ATOM 1782 C GLU A 117 -21.146 1.332 -6.421 1.00 10.11 C ATOM 1783 O GLU A 117 -21.131 2.524 -6.085 1.00 70.44 O ATOM 1784 CB GLU A 117 -19.306 0.294 -5.002 1.00 70.23 C ATOM 1785 CG GLU A 117 -20.303 -0.400 -4.085 1.00 44.30 C ATOM 1786 CD GLU A 117 -20.547 -1.882 -4.404 1.00 44.20 C ATOM 1787 OE1 GLU A 117 -20.332 -2.327 -5.549 1.00 4.11 O ATOM 1788 OE2 GLU A 117 -20.957 -2.631 -3.488 1.00 32.35 O ATOM 0 H GLU A 117 -18.135 1.660 -6.526 1.00 24.13 H new ATOM 0 HA GLU A 117 -20.067 -0.452 -6.863 1.00 71.14 H new ATOM 0 HB2 GLU A 117 -18.396 -0.304 -5.061 1.00 70.23 H new ATOM 0 HB3 GLU A 117 -19.029 1.255 -4.568 1.00 70.23 H new ATOM 0 HG2 GLU A 117 -19.949 -0.317 -3.057 1.00 44.30 H new ATOM 0 HG3 GLU A 117 -21.254 0.130 -4.138 1.00 44.30 H new ATOM 1795 N SER A 118 -22.252 0.680 -6.773 1.00 1.44 N ATOM 1796 CA SER A 118 -23.620 1.115 -6.541 1.00 4.35 C ATOM 1797 C SER A 118 -24.539 -0.040 -6.921 1.00 42.41 C ATOM 1798 O SER A 118 -25.139 -0.054 -7.996 1.00 45.20 O ATOM 1799 CB SER A 118 -23.945 2.380 -7.337 1.00 11.44 C ATOM 1800 OG SER A 118 -23.551 3.526 -6.600 1.00 52.21 O ATOM 0 H SER A 118 -22.211 -0.218 -7.256 1.00 1.44 H new ATOM 0 HA SER A 118 -23.761 1.375 -5.492 1.00 4.35 H new ATOM 0 HB2 SER A 118 -23.430 2.359 -8.297 1.00 11.44 H new ATOM 0 HB3 SER A 118 -25.013 2.423 -7.550 1.00 11.44 H new ATOM 0 HG SER A 118 -22.605 3.448 -6.355 1.00 52.21 H new ATOM 1806 N VAL A 119 -24.639 -1.029 -6.043 1.00 4.25 N ATOM 1807 CA VAL A 119 -25.564 -2.135 -6.183 1.00 12.33 C ATOM 1808 C VAL A 119 -26.169 -2.360 -4.800 1.00 63.14 C ATOM 1809 O VAL A 119 -25.471 -2.258 -3.790 1.00 23.15 O ATOM 1810 CB VAL A 119 -24.848 -3.336 -6.836 1.00 25.14 C ATOM 1811 CG1 VAL A 119 -23.547 -3.754 -6.136 1.00 32.42 C ATOM 1812 CG2 VAL A 119 -25.783 -4.540 -6.964 1.00 5.42 C ATOM 0 H VAL A 119 -24.067 -1.082 -5.200 1.00 4.25 H new ATOM 0 HA VAL A 119 -26.394 -1.944 -6.864 1.00 12.33 H new ATOM 0 HB VAL A 119 -24.564 -2.985 -7.828 1.00 25.14 H new ATOM 0 HG11 VAL A 119 -23.109 -4.604 -6.659 1.00 32.42 H new ATOM 0 HG12 VAL A 119 -22.844 -2.921 -6.146 1.00 32.42 H new ATOM 0 HG13 VAL A 119 -23.762 -4.034 -5.105 1.00 32.42 H new ATOM 0 HG21 VAL A 119 -25.248 -5.369 -7.428 1.00 5.42 H new ATOM 0 HG22 VAL A 119 -26.128 -4.839 -5.974 1.00 5.42 H new ATOM 0 HG23 VAL A 119 -26.640 -4.271 -7.581 1.00 5.42 H new ATOM 1822 N VAL A 120 -27.478 -2.605 -4.743 1.00 50.12 N ATOM 1823 CA VAL A 120 -28.273 -2.590 -3.517 1.00 4.15 C ATOM 1824 C VAL A 120 -28.107 -3.887 -2.701 1.00 2.13 C ATOM 1825 O VAL A 120 -29.084 -4.492 -2.252 1.00 12.44 O ATOM 1826 CB VAL A 120 -29.735 -2.231 -3.869 1.00 45.44 C ATOM 1827 CG1 VAL A 120 -29.819 -0.791 -4.405 1.00 23.14 C ATOM 1828 CG2 VAL A 120 -30.391 -3.169 -4.899 1.00 2.41 C ATOM 0 H VAL A 120 -28.029 -2.826 -5.572 1.00 50.12 H new ATOM 0 HA VAL A 120 -27.905 -1.815 -2.845 1.00 4.15 H new ATOM 0 HB VAL A 120 -30.285 -2.343 -2.935 1.00 45.44 H new ATOM 0 HG11 VAL A 120 -30.855 -0.553 -4.648 1.00 23.14 H new ATOM 0 HG12 VAL A 120 -29.456 -0.098 -3.645 1.00 23.14 H new ATOM 0 HG13 VAL A 120 -29.206 -0.700 -5.301 1.00 23.14 H new ATOM 0 HG21 VAL A 120 -31.414 -2.844 -5.087 1.00 2.41 H new ATOM 0 HG22 VAL A 120 -29.824 -3.140 -5.830 1.00 2.41 H new ATOM 0 HG23 VAL A 120 -30.399 -4.187 -4.510 1.00 2.41 H new ATOM 1838 N LYS A 121 -26.868 -4.354 -2.540 1.00 45.04 N ATOM 1839 CA LYS A 121 -26.523 -5.523 -1.740 1.00 61.43 C ATOM 1840 C LYS A 121 -26.713 -5.255 -0.247 1.00 44.32 C ATOM 1841 O LYS A 121 -26.845 -4.097 0.181 1.00 51.21 O ATOM 1842 CB LYS A 121 -25.075 -5.957 -2.035 1.00 14.44 C ATOM 1843 CG LYS A 121 -24.033 -4.854 -1.776 1.00 41.43 C ATOM 1844 CD LYS A 121 -22.624 -5.414 -1.573 1.00 11.21 C ATOM 1845 CE LYS A 121 -22.189 -6.265 -2.765 1.00 2.32 C ATOM 1846 NZ LYS A 121 -20.801 -6.735 -2.623 1.00 62.13 N ATOM 0 H LYS A 121 -26.057 -3.915 -2.976 1.00 45.04 H new ATOM 0 HA LYS A 121 -27.198 -6.333 -2.015 1.00 61.43 H new ATOM 0 HB2 LYS A 121 -24.833 -6.824 -1.421 1.00 14.44 H new ATOM 0 HB3 LYS A 121 -25.005 -6.274 -3.076 1.00 14.44 H new ATOM 0 HG2 LYS A 121 -24.027 -4.160 -2.617 1.00 41.43 H new ATOM 0 HG3 LYS A 121 -24.324 -4.284 -0.894 1.00 41.43 H new ATOM 0 HD2 LYS A 121 -21.921 -4.593 -1.433 1.00 11.21 H new ATOM 0 HD3 LYS A 121 -22.597 -6.016 -0.664 1.00 11.21 H new ATOM 0 HE2 LYS A 121 -22.855 -7.122 -2.862 1.00 2.32 H new ATOM 0 HE3 LYS A 121 -22.284 -5.683 -3.681 1.00 2.32 H new ATOM 0 HZ1 LYS A 121 -20.542 -7.309 -3.451 1.00 62.13 H new ATOM 0 HZ2 LYS A 121 -20.163 -5.917 -2.556 1.00 62.13 H new ATOM 0 HZ3 LYS A 121 -20.716 -7.312 -1.762 1.00 62.13 H new ATOM 1860 N LEU A 122 -26.656 -6.325 0.545 1.00 34.23 N ATOM 1861 CA LEU A 122 -26.507 -6.247 1.995 1.00 2.04 C ATOM 1862 C LEU A 122 -25.111 -5.701 2.312 1.00 62.50 C ATOM 1863 O LEU A 122 -24.151 -5.971 1.584 1.00 72.14 O ATOM 1864 CB LEU A 122 -26.677 -7.638 2.639 1.00 70.12 C ATOM 1865 CG LEU A 122 -28.117 -8.145 2.856 1.00 72.54 C ATOM 1866 CD1 LEU A 122 -28.894 -7.276 3.852 1.00 64.24 C ATOM 1867 CD2 LEU A 122 -28.923 -8.286 1.558 1.00 10.02 C ATOM 0 H LEU A 122 -26.713 -7.280 0.192 1.00 34.23 H new ATOM 0 HA LEU A 122 -27.275 -5.589 2.400 1.00 2.04 H new ATOM 0 HB2 LEU A 122 -26.154 -8.364 2.017 1.00 70.12 H new ATOM 0 HB3 LEU A 122 -26.174 -7.626 3.606 1.00 70.12 H new ATOM 0 HG LEU A 122 -27.995 -9.144 3.275 1.00 72.54 H new ATOM 0 HD11 LEU A 122 -29.902 -7.673 3.972 1.00 64.24 H new ATOM 0 HD12 LEU A 122 -28.384 -7.283 4.816 1.00 64.24 H new ATOM 0 HD13 LEU A 122 -28.948 -6.254 3.478 1.00 64.24 H new ATOM 0 HD21 LEU A 122 -29.925 -8.647 1.789 1.00 10.02 H new ATOM 0 HD22 LEU A 122 -28.991 -7.316 1.065 1.00 10.02 H new ATOM 0 HD23 LEU A 122 -28.426 -8.995 0.896 1.00 10.02 H new ATOM 1879 N MET A 123 -24.989 -4.985 3.428 1.00 72.53 N ATOM 1880 CA MET A 123 -23.786 -4.287 3.870 1.00 10.45 C ATOM 1881 C MET A 123 -23.498 -4.606 5.334 1.00 5.23 C ATOM 1882 O MET A 123 -22.362 -4.960 5.676 1.00 10.41 O ATOM 1883 CB MET A 123 -23.986 -2.775 3.662 1.00 70.21 C ATOM 1884 CG MET A 123 -22.761 -1.934 4.051 1.00 33.15 C ATOM 1885 SD MET A 123 -22.601 -1.547 5.822 1.00 53.32 S ATOM 1886 CE MET A 123 -23.931 -0.336 6.037 1.00 71.51 C ATOM 0 H MET A 123 -25.765 -4.871 4.080 1.00 72.53 H new ATOM 0 HA MET A 123 -22.928 -4.618 3.285 1.00 10.45 H new ATOM 0 HB2 MET A 123 -24.226 -2.589 2.615 1.00 70.21 H new ATOM 0 HB3 MET A 123 -24.843 -2.446 4.249 1.00 70.21 H new ATOM 0 HG2 MET A 123 -21.863 -2.463 3.731 1.00 33.15 H new ATOM 0 HG3 MET A 123 -22.795 -0.997 3.495 1.00 33.15 H new ATOM 0 HE1 MET A 123 -23.551 0.530 6.579 1.00 71.51 H new ATOM 0 HE2 MET A 123 -24.297 -0.021 5.060 1.00 71.51 H new ATOM 0 HE3 MET A 123 -24.747 -0.788 6.602 1.00 71.51 H new ATOM 1896 N LEU A 124 -24.504 -4.420 6.193 1.00 1.45 N ATOM 1897 CA LEU A 124 -24.473 -4.825 7.593 1.00 10.05 C ATOM 1898 C LEU A 124 -24.935 -6.267 7.697 1.00 50.44 C ATOM 1899 O LEU A 124 -25.231 -6.723 8.819 1.00 61.54 O ATOM 1900 CB LEU A 124 -25.325 -3.885 8.466 1.00 44.10 C ATOM 1901 CG LEU A 124 -26.818 -3.837 8.071 1.00 43.04 C ATOM 1902 CD1 LEU A 124 -27.720 -4.120 9.271 1.00 21.43 C ATOM 1903 CD2 LEU A 124 -27.164 -2.459 7.497 1.00 54.14 C ATOM 0 H LEU A 124 -25.381 -3.973 5.924 1.00 1.45 H new ATOM 0 HA LEU A 124 -23.453 -4.753 7.970 1.00 10.05 H new ATOM 0 HB2 LEU A 124 -25.246 -4.201 9.506 1.00 44.10 H new ATOM 0 HB3 LEU A 124 -24.912 -2.878 8.407 1.00 44.10 H new ATOM 0 HG LEU A 124 -26.987 -4.608 7.319 1.00 43.04 H new ATOM 0 HD11 LEU A 124 -28.764 -4.079 8.959 1.00 21.43 H new ATOM 0 HD12 LEU A 124 -27.498 -5.111 9.667 1.00 21.43 H new ATOM 0 HD13 LEU A 124 -27.542 -3.372 10.044 1.00 21.43 H new ATOM 0 HD21 LEU A 124 -28.218 -2.434 7.221 1.00 54.14 H new ATOM 0 HD22 LEU A 124 -26.967 -1.693 8.247 1.00 54.14 H new ATOM 0 HD23 LEU A 124 -26.553 -2.269 6.614 1.00 54.14 H new TER 1915 LEU A 124