USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1100 hydrogens (3 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 107 MET CE :methyl 154:sc= -2.45! (180deg=-3.02!) USER MOD Set 1.2: A 139 CYS SG : rot 77:sc= -0.0344 USER MOD Set 2.1: A 100 TYR OH : rot -91:sc= 1.09 USER MOD Set 2.2: A 135 LYS NZ :NH3+ 165:sc= 2.48 (180deg=1.03) USER MOD Set 3.1: A 75 THR OG1 : rot 141:sc= 2.02 USER MOD Set 3.2: A 77 CYS SG : rot 174:sc= 1.07 USER MOD Set 4.1: A 51 TYR OH : rot -96:sc= 0.0171 USER MOD Set 4.2: A 67 ASN : amide:sc= -2.56 X(o=-2.5,f=-2.3!) USER MOD Set 5.1: A 46 ASN : amide:sc= 0.328! C(o=1.6!,f=-6.6!) USER MOD Set 5.2: A 49 LYS NZ :NH3+ 140:sc= 1.23 (180deg=0) USER MOD Set 6.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 44 TYR OH : rot 30:sc=-0.00206 USER MOD Single : A 17 THR OG1 : rot 31:sc= 0.202 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.136 (180deg=-0.136) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.15) USER MOD Single : A 33 THR OG1 : rot 68:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Single : A 36 ASN : amide:sc= -1.26 K(o=-1.3,f=-5.4!) USER MOD Single : A 38 TYR OH : rot -129:sc= 0.00302 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 1.1 (180deg=1.03) USER MOD Single : A 52 SER OG : rot 76:sc= 2.24 USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 58 ASN : amide:sc= -5.59! C(o=-5.6!,f=-6.3!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.526 USER MOD Single : A 61 ASN : amide:sc= -3.27! C(o=-3.3!,f=-11!) USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= -0.0471 USER MOD Single : A 69 SER OG : rot -82:sc= 0.603 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.0168 F(o=-1,f=-0.017) USER MOD Single : A 86 THR OG1 : rot 65:sc= 1.28 USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0.798 (180deg=0.733) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 141:sc= -2.26! (180deg=-4.74!) USER MOD Single : A 99 TYR OH : rot 17:sc= -0.677! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0.13 K(o=0.13,f=-3.9!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 124 LYS NZ :NH3+ -159:sc= 1.07 (180deg=0.759) USER MOD Single : A 126 LYS NZ :NH3+ -157:sc= 0.719 (180deg=0.0758) USER MOD Single : A 128 HIS : no HD1:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 MET CE :methyl -159:sc= -0.217 (180deg=-0.861) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN :FLIP amide:sc= -0.519 F(o=-1.6,f=-0.52) USER MOD Single : A 140 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -160:sc= -1 (180deg=-1.8) USER MOD Single : A 145 GLN : amide:sc= -0.36 K(o=-0.36,f=-4.2!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 136:sc= -0.125 (180deg=-0.649) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 17 -20.377 -14.724 11.449 1.00 1.33 N ATOM 2 CA THR A 17 -20.892 -14.361 10.140 1.00 1.20 C ATOM 3 C THR A 17 -19.980 -14.907 9.045 1.00 1.09 C ATOM 4 O THR A 17 -18.765 -15.005 9.228 1.00 1.11 O ATOM 5 CB THR A 17 -21.008 -12.825 9.994 1.00 1.41 C ATOM 6 OG1 THR A 17 -21.694 -12.285 11.135 1.00 2.22 O ATOM 7 CG2 THR A 17 -21.756 -12.432 8.720 1.00 0.92 C ATOM 0 HA THR A 17 -21.886 -14.797 10.039 1.00 1.20 H new ATOM 0 HB THR A 17 -19.999 -12.418 9.932 1.00 1.41 H new ATOM 0 HG1 THR A 17 -21.512 -12.842 11.920 1.00 2.22 H new ATOM 0 HG21 THR A 17 -21.816 -11.346 8.654 1.00 0.92 H new ATOM 0 HG22 THR A 17 -21.224 -12.819 7.851 1.00 0.92 H new ATOM 0 HG23 THR A 17 -22.762 -12.850 8.745 1.00 0.92 H new ATOM 15 N ASP A 18 -20.575 -15.286 7.926 1.00 1.03 N ATOM 16 CA ASP A 18 -19.825 -15.716 6.755 1.00 0.95 C ATOM 17 C ASP A 18 -19.221 -14.496 6.079 1.00 0.84 C ATOM 18 O ASP A 18 -19.457 -13.372 6.524 1.00 0.84 O ATOM 19 CB ASP A 18 -20.749 -16.434 5.764 1.00 0.95 C ATOM 20 CG ASP A 18 -21.398 -17.665 6.358 1.00 1.08 C ATOM 21 OD1 ASP A 18 -22.403 -17.527 7.085 1.00 1.16 O ATOM 22 OD2 ASP A 18 -20.905 -18.782 6.100 1.00 1.18 O ATOM 0 H ASP A 18 -21.587 -15.305 7.803 1.00 1.03 H new ATOM 0 HA ASP A 18 -19.039 -16.403 7.068 1.00 0.95 H new ATOM 0 HB2 ASP A 18 -21.524 -15.744 5.431 1.00 0.95 H new ATOM 0 HB3 ASP A 18 -20.177 -16.720 4.882 1.00 0.95 H new ATOM 27 N PRO A 19 -18.415 -14.682 5.021 1.00 0.78 N ATOM 28 CA PRO A 19 -18.033 -13.576 4.163 1.00 0.70 C ATOM 29 C PRO A 19 -19.260 -12.778 3.763 1.00 0.65 C ATOM 30 O PRO A 19 -20.264 -13.355 3.329 1.00 0.70 O ATOM 31 CB PRO A 19 -17.423 -14.248 2.943 1.00 0.71 C ATOM 32 CG PRO A 19 -16.936 -15.573 3.426 1.00 0.75 C ATOM 33 CD PRO A 19 -17.798 -15.953 4.603 1.00 0.84 C ATOM 0 HA PRO A 19 -17.347 -12.882 4.649 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -18.160 -14.366 2.149 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -16.606 -13.654 2.534 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.007 -16.322 2.637 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.887 -15.516 3.718 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -18.552 -16.689 4.324 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -17.206 -16.392 5.406 1.00 0.84 H new ATOM 41 N PRO A 20 -19.208 -11.456 3.920 1.00 0.58 N ATOM 42 CA PRO A 20 -20.352 -10.589 3.666 1.00 0.54 C ATOM 43 C PRO A 20 -20.908 -10.808 2.268 1.00 0.55 C ATOM 44 O PRO A 20 -20.164 -11.129 1.343 1.00 0.58 O ATOM 45 CB PRO A 20 -19.776 -9.179 3.827 1.00 0.49 C ATOM 46 CG PRO A 20 -18.591 -9.364 4.711 1.00 0.50 C ATOM 47 CD PRO A 20 -18.021 -10.702 4.340 1.00 0.56 C ATOM 0 HA PRO A 20 -21.188 -10.780 4.339 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.492 -8.753 2.865 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.503 -8.501 4.273 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.860 -8.570 4.559 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.877 -9.337 5.762 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -17.288 -10.621 3.537 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.519 -11.176 5.183 1.00 0.56 H new ATOM 55 N ALA A 21 -22.214 -10.673 2.131 1.00 0.56 N ATOM 56 CA ALA A 21 -22.872 -10.892 0.858 1.00 0.63 C ATOM 57 C ALA A 21 -22.235 -10.036 -0.225 1.00 0.60 C ATOM 58 O ALA A 21 -21.786 -8.923 0.051 1.00 0.60 O ATOM 59 CB ALA A 21 -24.353 -10.608 0.999 1.00 0.72 C ATOM 0 H ALA A 21 -22.842 -10.411 2.891 1.00 0.56 H new ATOM 0 HA ALA A 21 -22.751 -11.933 0.559 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -24.848 -10.773 0.042 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -24.781 -11.274 1.748 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -24.497 -9.573 1.309 1.00 0.72 H new ATOM 65 N ASP A 22 -22.193 -10.542 -1.455 1.00 0.64 N ATOM 66 CA ASP A 22 -21.441 -9.880 -2.517 1.00 0.70 C ATOM 67 C ASP A 22 -22.233 -8.717 -3.108 1.00 0.67 C ATOM 68 O ASP A 22 -22.035 -8.313 -4.242 1.00 1.01 O ATOM 69 CB ASP A 22 -21.106 -10.903 -3.603 1.00 1.01 C ATOM 70 CG ASP A 22 -20.185 -10.357 -4.680 1.00 1.54 C ATOM 71 OD1 ASP A 22 -19.081 -9.887 -4.337 1.00 1.66 O ATOM 72 OD2 ASP A 22 -20.564 -10.397 -5.874 1.00 2.34 O ATOM 0 H ASP A 22 -22.666 -11.400 -1.739 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.520 -9.473 -2.099 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -20.638 -11.772 -3.141 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -22.031 -11.247 -4.066 1.00 1.01 H new ATOM 77 N GLY A 23 -23.048 -8.121 -2.274 1.00 0.72 N ATOM 78 CA GLY A 23 -23.578 -6.813 -2.549 1.00 0.69 C ATOM 79 C GLY A 23 -22.817 -5.835 -1.706 1.00 0.61 C ATOM 80 O GLY A 23 -22.473 -4.745 -2.138 1.00 0.60 O ATOM 0 H GLY A 23 -23.360 -8.527 -1.392 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -23.473 -6.571 -3.607 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -24.642 -6.773 -2.317 1.00 0.69 H new ATOM 84 N ALA A 24 -22.524 -6.290 -0.494 1.00 0.59 N ATOM 85 CA ALA A 24 -21.639 -5.600 0.419 1.00 0.55 C ATOM 86 C ALA A 24 -20.196 -5.794 -0.021 1.00 0.48 C ATOM 87 O ALA A 24 -19.392 -4.880 0.070 1.00 0.44 O ATOM 88 CB ALA A 24 -21.832 -6.140 1.831 1.00 0.56 C ATOM 0 H ALA A 24 -22.902 -7.160 -0.119 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.873 -4.535 0.412 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.163 -5.617 2.515 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.865 -5.983 2.142 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.606 -7.206 1.847 1.00 0.56 H new ATOM 94 N LEU A 25 -19.873 -6.994 -0.501 1.00 0.49 N ATOM 95 CA LEU A 25 -18.515 -7.283 -0.948 1.00 0.48 C ATOM 96 C LEU A 25 -18.241 -6.706 -2.321 1.00 0.51 C ATOM 97 O LEU A 25 -17.154 -6.177 -2.554 1.00 0.53 O ATOM 98 CB LEU A 25 -18.205 -8.779 -0.930 1.00 0.47 C ATOM 99 CG LEU A 25 -17.970 -9.361 0.462 1.00 0.48 C ATOM 100 CD1 LEU A 25 -17.167 -10.647 0.373 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.262 -8.351 1.349 1.00 0.49 C ATOM 0 H LEU A 25 -20.526 -7.773 -0.589 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.850 -6.797 -0.233 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -19.031 -9.314 -1.399 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -17.320 -8.961 -1.540 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.938 -9.590 0.907 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -17.009 -11.047 1.374 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -17.712 -11.375 -0.227 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -16.203 -10.442 -0.092 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -17.103 -8.783 2.337 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.300 -8.090 0.908 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -17.874 -7.454 1.440 1.00 0.49 H new ATOM 113 N LYS A 26 -19.207 -6.785 -3.237 1.00 0.55 N ATOM 114 CA LYS A 26 -19.043 -6.105 -4.509 1.00 0.59 C ATOM 115 C LYS A 26 -18.902 -4.613 -4.253 1.00 0.52 C ATOM 116 O LYS A 26 -18.159 -3.930 -4.936 1.00 0.53 O ATOM 117 CB LYS A 26 -20.238 -6.357 -5.428 1.00 0.68 C ATOM 118 CG LYS A 26 -21.052 -5.108 -5.696 1.00 0.73 C ATOM 119 CD LYS A 26 -22.481 -5.439 -6.072 1.00 0.82 C ATOM 120 CE LYS A 26 -23.266 -4.179 -6.394 1.00 0.93 C ATOM 121 NZ LYS A 26 -22.805 -3.550 -7.655 1.00 1.53 N ATOM 0 H LYS A 26 -20.082 -7.297 -3.123 1.00 0.55 H new ATOM 0 HA LYS A 26 -18.151 -6.492 -5.002 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -19.882 -6.762 -6.375 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -20.881 -7.114 -4.979 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -21.047 -4.473 -4.810 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -20.588 -4.537 -6.500 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -22.489 -6.106 -6.934 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -22.962 -5.972 -5.252 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -24.326 -4.422 -6.475 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -23.164 -3.468 -5.574 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -23.365 -2.693 -7.840 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -21.800 -3.295 -7.569 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -22.926 -4.220 -8.441 1.00 1.53 H new ATOM 135 N ARG A 27 -19.629 -4.123 -3.251 1.00 0.49 N ATOM 136 CA ARG A 27 -19.619 -2.713 -2.916 1.00 0.45 C ATOM 137 C ARG A 27 -18.380 -2.349 -2.104 1.00 0.39 C ATOM 138 O ARG A 27 -17.952 -1.205 -2.109 1.00 0.37 O ATOM 139 CB ARG A 27 -20.900 -2.359 -2.171 1.00 0.49 C ATOM 140 CG ARG A 27 -20.907 -1.014 -1.457 1.00 0.45 C ATOM 141 CD ARG A 27 -20.823 0.169 -2.403 1.00 0.51 C ATOM 142 NE ARG A 27 -21.854 0.137 -3.439 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.582 1.193 -3.809 1.00 1.29 C ATOM 144 NH1 ARG A 27 -22.457 2.352 -3.174 1.00 1.01 N ATOM 145 NH2 ARG A 27 -23.449 1.080 -4.807 1.00 2.11 N ATOM 0 H ARG A 27 -20.234 -4.691 -2.658 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.578 -2.129 -3.835 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.726 -2.375 -2.882 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -21.097 -3.139 -1.436 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.817 -0.931 -0.863 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -20.068 -0.975 -0.762 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.916 1.093 -1.832 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -19.840 0.183 -2.874 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.029 -0.751 -3.910 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -21.801 2.440 -2.398 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -23.017 3.155 -3.462 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -23.558 0.188 -5.289 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -24.007 1.885 -5.092 1.00 2.11 H new ATOM 159 N ALA A 28 -17.809 -3.316 -1.402 1.00 0.39 N ATOM 160 CA ALA A 28 -16.504 -3.120 -0.793 1.00 0.37 C ATOM 161 C ALA A 28 -15.500 -2.867 -1.910 1.00 0.37 C ATOM 162 O ALA A 28 -14.632 -1.996 -1.821 1.00 0.36 O ATOM 163 CB ALA A 28 -16.116 -4.330 0.056 1.00 0.42 C ATOM 0 H ALA A 28 -18.224 -4.234 -1.241 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.521 -2.263 -0.120 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -15.136 -4.162 0.502 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.854 -4.473 0.845 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -16.081 -5.219 -0.573 1.00 0.42 H new ATOM 169 N GLU A 29 -15.671 -3.624 -2.986 1.00 0.43 N ATOM 170 CA GLU A 29 -14.947 -3.406 -4.228 1.00 0.47 C ATOM 171 C GLU A 29 -15.386 -2.105 -4.901 1.00 0.45 C ATOM 172 O GLU A 29 -14.584 -1.425 -5.547 1.00 0.48 O ATOM 173 CB GLU A 29 -15.185 -4.589 -5.160 1.00 0.55 C ATOM 174 CG GLU A 29 -14.305 -5.786 -4.834 1.00 0.84 C ATOM 175 CD GLU A 29 -14.572 -6.984 -5.719 1.00 1.52 C ATOM 176 OE1 GLU A 29 -13.932 -7.093 -6.788 1.00 1.83 O ATOM 177 OE2 GLU A 29 -15.401 -7.836 -5.341 1.00 2.41 O ATOM 0 H GLU A 29 -16.320 -4.410 -3.020 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.883 -3.321 -4.005 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -16.232 -4.887 -5.100 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.000 -4.278 -6.188 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -13.259 -5.496 -4.932 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -14.461 -6.070 -3.793 1.00 0.84 H new ATOM 184 N GLU A 30 -16.659 -1.757 -4.738 1.00 0.43 N ATOM 185 CA GLU A 30 -17.203 -0.545 -5.326 1.00 0.44 C ATOM 186 C GLU A 30 -16.586 0.655 -4.684 1.00 0.41 C ATOM 187 O GLU A 30 -16.160 1.551 -5.364 1.00 0.48 O ATOM 188 CB GLU A 30 -18.719 -0.464 -5.179 1.00 0.47 C ATOM 189 CG GLU A 30 -19.445 -1.422 -6.078 1.00 0.64 C ATOM 190 CD GLU A 30 -20.950 -1.313 -6.016 1.00 1.23 C ATOM 191 OE1 GLU A 30 -21.564 -1.907 -5.115 1.00 1.72 O ATOM 192 OE2 GLU A 30 -21.528 -0.638 -6.894 1.00 1.52 O ATOM 0 H GLU A 30 -17.333 -2.302 -4.200 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.967 -0.570 -6.390 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.990 -0.669 -4.143 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -19.047 0.552 -5.399 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -19.122 -1.254 -7.105 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -19.155 -2.439 -5.815 1.00 0.64 H new ATOM 199 N LEU A 31 -16.535 0.652 -3.371 1.00 0.36 N ATOM 200 CA LEU A 31 -15.958 1.753 -2.632 1.00 0.36 C ATOM 201 C LEU A 31 -14.482 1.894 -2.955 1.00 0.37 C ATOM 202 O LEU A 31 -13.963 3.000 -3.004 1.00 0.41 O ATOM 203 CB LEU A 31 -16.170 1.539 -1.141 1.00 0.35 C ATOM 204 CG LEU A 31 -17.633 1.437 -0.727 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.742 1.065 0.735 1.00 0.37 C ATOM 206 CD2 LEU A 31 -18.365 2.737 -0.987 1.00 0.42 C ATOM 0 H LEU A 31 -16.889 -0.107 -2.789 1.00 0.36 H new ATOM 0 HA LEU A 31 -16.455 2.678 -2.925 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.654 0.628 -0.839 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.707 2.362 -0.598 1.00 0.35 H new ATOM 0 HG LEU A 31 -18.098 0.656 -1.328 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.793 0.996 1.016 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -17.258 0.103 0.903 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -17.254 1.828 1.342 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -19.407 2.635 -0.682 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.897 3.539 -0.416 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -18.319 2.974 -2.050 1.00 0.42 H new ATOM 218 N LYS A 32 -13.816 0.772 -3.204 1.00 0.37 N ATOM 219 CA LYS A 32 -12.425 0.807 -3.629 1.00 0.41 C ATOM 220 C LYS A 32 -12.322 1.448 -5.015 1.00 0.43 C ATOM 221 O LYS A 32 -11.364 2.161 -5.319 1.00 0.47 O ATOM 222 CB LYS A 32 -11.826 -0.602 -3.657 1.00 0.44 C ATOM 223 CG LYS A 32 -10.309 -0.602 -3.638 1.00 0.76 C ATOM 224 CD LYS A 32 -9.727 -1.994 -3.829 1.00 0.70 C ATOM 225 CE LYS A 32 -9.767 -2.429 -5.286 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.896 -3.607 -5.530 1.00 1.15 N ATOM 0 H LYS A 32 -14.213 -0.164 -3.120 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.860 1.403 -2.912 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -12.195 -1.165 -2.799 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -12.173 -1.120 -4.551 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.938 0.055 -4.425 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.960 -0.192 -2.690 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -8.697 -2.009 -3.474 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -10.284 -2.707 -3.221 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.792 -2.670 -5.566 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.449 -1.603 -5.922 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -9.025 -3.938 -6.507 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -7.902 -3.340 -5.384 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -9.150 -4.369 -4.870 1.00 1.15 H new ATOM 240 N THR A 33 -13.333 1.200 -5.836 1.00 0.43 N ATOM 241 CA THR A 33 -13.403 1.753 -7.179 1.00 0.47 C ATOM 242 C THR A 33 -13.812 3.230 -7.132 1.00 0.47 C ATOM 243 O THR A 33 -13.168 4.080 -7.746 1.00 0.52 O ATOM 244 CB THR A 33 -14.402 0.947 -8.039 1.00 0.49 C ATOM 245 OG1 THR A 33 -14.024 -0.439 -8.053 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.456 1.470 -9.466 1.00 0.57 C ATOM 0 H THR A 33 -14.127 0.610 -5.589 1.00 0.43 H new ATOM 0 HA THR A 33 -12.415 1.683 -7.633 1.00 0.47 H new ATOM 0 HB THR A 33 -15.392 1.059 -7.596 1.00 0.49 H new ATOM 0 HG1 THR A 33 -14.144 -0.820 -7.158 1.00 0.50 H new ATOM 0 HG21 THR A 33 -15.168 0.880 -10.043 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.770 2.514 -9.459 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.468 1.391 -9.920 1.00 0.57 H new ATOM 254 N GLN A 34 -14.882 3.521 -6.393 1.00 0.44 N ATOM 255 CA GLN A 34 -15.322 4.897 -6.157 1.00 0.46 C ATOM 256 C GLN A 34 -14.192 5.731 -5.575 1.00 0.46 C ATOM 257 O GLN A 34 -13.938 6.845 -6.013 1.00 0.51 O ATOM 258 CB GLN A 34 -16.512 4.930 -5.192 1.00 0.48 C ATOM 259 CG GLN A 34 -17.676 4.069 -5.627 1.00 0.50 C ATOM 260 CD GLN A 34 -18.890 4.225 -4.731 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.765 4.514 -3.546 1.00 1.50 O ATOM 262 NE2 GLN A 34 -20.075 4.028 -5.290 1.00 1.31 N ATOM 0 H GLN A 34 -15.465 2.815 -5.943 1.00 0.44 H new ATOM 0 HA GLN A 34 -15.624 5.314 -7.118 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -16.178 4.602 -4.207 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -16.854 5.960 -5.087 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.950 4.326 -6.650 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -17.367 3.024 -5.633 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -20.139 3.789 -6.280 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -20.924 4.116 -4.731 1.00 1.31 H new ATOM 271 N ALA A 35 -13.507 5.180 -4.585 1.00 0.43 N ATOM 272 CA ALA A 35 -12.402 5.877 -3.952 1.00 0.44 C ATOM 273 C ALA A 35 -11.227 6.018 -4.910 1.00 0.48 C ATOM 274 O ALA A 35 -10.434 6.943 -4.791 1.00 0.50 O ATOM 275 CB ALA A 35 -11.982 5.164 -2.685 1.00 0.42 C ATOM 0 H ALA A 35 -13.698 4.253 -4.204 1.00 0.43 H new ATOM 0 HA ALA A 35 -12.738 6.879 -3.686 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -11.153 5.700 -2.224 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -12.822 5.129 -1.992 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -11.668 4.148 -2.926 1.00 0.42 H new ATOM 281 N ASN A 36 -11.123 5.101 -5.868 1.00 0.53 N ATOM 282 CA ASN A 36 -10.126 5.218 -6.930 1.00 0.61 C ATOM 283 C ASN A 36 -10.510 6.373 -7.854 1.00 0.63 C ATOM 284 O ASN A 36 -9.655 7.029 -8.448 1.00 0.67 O ATOM 285 CB ASN A 36 -10.028 3.912 -7.725 1.00 0.69 C ATOM 286 CG ASN A 36 -8.942 3.930 -8.793 1.00 1.28 C ATOM 287 OD1 ASN A 36 -9.113 3.357 -9.865 1.00 1.88 O ATOM 288 ND2 ASN A 36 -7.807 4.554 -8.495 1.00 2.01 N ATOM 0 H ASN A 36 -11.714 4.272 -5.932 1.00 0.53 H new ATOM 0 HA ASN A 36 -9.151 5.416 -6.485 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.835 3.090 -7.036 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.989 3.711 -8.199 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -7.041 4.568 -9.168 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -7.702 5.019 -7.593 1.00 2.01 H new ATOM 295 N ASP A 37 -11.810 6.621 -7.950 1.00 0.63 N ATOM 296 CA ASP A 37 -12.326 7.767 -8.685 1.00 0.68 C ATOM 297 C ASP A 37 -11.961 9.045 -7.949 1.00 0.65 C ATOM 298 O ASP A 37 -11.530 10.015 -8.560 1.00 0.68 O ATOM 299 CB ASP A 37 -13.848 7.666 -8.851 1.00 0.73 C ATOM 300 CG ASP A 37 -14.400 8.763 -9.735 1.00 0.90 C ATOM 301 OD1 ASP A 37 -14.726 9.849 -9.218 1.00 1.04 O ATOM 302 OD2 ASP A 37 -14.502 8.545 -10.960 1.00 1.05 O ATOM 0 H ASP A 37 -12.531 6.038 -7.524 1.00 0.63 H new ATOM 0 HA ASP A 37 -11.878 7.780 -9.679 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -14.102 6.696 -9.278 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -14.323 7.718 -7.871 1.00 0.73 H new ATOM 307 N TYR A 38 -12.111 9.025 -6.630 1.00 0.60 N ATOM 308 CA TYR A 38 -11.686 10.139 -5.790 1.00 0.58 C ATOM 309 C TYR A 38 -10.167 10.292 -5.840 1.00 0.57 C ATOM 310 O TYR A 38 -9.641 11.404 -5.797 1.00 0.57 O ATOM 311 CB TYR A 38 -12.154 9.934 -4.346 1.00 0.54 C ATOM 312 CG TYR A 38 -13.639 10.153 -4.150 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.138 11.416 -3.860 1.00 0.59 C ATOM 314 CD2 TYR A 38 -14.542 9.103 -4.255 1.00 0.63 C ATOM 315 CE1 TYR A 38 -15.492 11.624 -3.681 1.00 0.63 C ATOM 316 CE2 TYR A 38 -15.898 9.304 -4.079 1.00 0.67 C ATOM 317 CZ TYR A 38 -16.366 10.565 -3.792 1.00 0.65 C ATOM 318 OH TYR A 38 -17.718 10.768 -3.612 1.00 0.71 O ATOM 0 H TYR A 38 -12.525 8.247 -6.117 1.00 0.60 H new ATOM 0 HA TYR A 38 -12.141 11.052 -6.173 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.901 8.922 -4.032 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.606 10.616 -3.696 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.456 12.249 -3.773 1.00 0.59 H new ATOM 0 HD2 TYR A 38 -14.178 8.111 -4.478 1.00 0.63 H new ATOM 0 HE1 TYR A 38 -15.864 12.613 -3.455 1.00 0.63 H new ATOM 0 HE2 TYR A 38 -16.586 8.476 -4.166 1.00 0.67 H new ATOM 0 HH TYR A 38 -18.064 10.116 -2.967 1.00 0.71 H new ATOM 328 N PHE A 39 -9.476 9.164 -5.938 1.00 0.57 N ATOM 329 CA PHE A 39 -8.035 9.138 -6.108 1.00 0.57 C ATOM 330 C PHE A 39 -7.632 9.932 -7.346 1.00 0.63 C ATOM 331 O PHE A 39 -6.737 10.779 -7.291 1.00 0.67 O ATOM 332 CB PHE A 39 -7.580 7.678 -6.217 1.00 0.58 C ATOM 333 CG PHE A 39 -6.131 7.492 -6.534 1.00 0.58 C ATOM 334 CD1 PHE A 39 -5.196 7.409 -5.521 1.00 0.55 C ATOM 335 CD2 PHE A 39 -5.704 7.389 -7.847 1.00 0.70 C ATOM 336 CE1 PHE A 39 -3.861 7.226 -5.810 1.00 0.59 C ATOM 337 CE2 PHE A 39 -4.373 7.209 -8.143 1.00 0.73 C ATOM 338 CZ PHE A 39 -3.446 7.127 -7.124 1.00 0.65 C ATOM 0 H PHE A 39 -9.904 8.239 -5.901 1.00 0.57 H new ATOM 0 HA PHE A 39 -7.550 9.602 -5.249 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -7.799 7.173 -5.276 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -8.172 7.185 -6.988 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.514 7.488 -4.492 1.00 0.55 H new ATOM 0 HD2 PHE A 39 -6.425 7.451 -8.649 1.00 0.70 H new ATOM 0 HE1 PHE A 39 -3.139 7.160 -5.009 1.00 0.59 H new ATOM 0 HE2 PHE A 39 -4.054 7.132 -9.172 1.00 0.73 H new ATOM 0 HZ PHE A 39 -2.400 6.986 -7.353 1.00 0.65 H new ATOM 348 N LYS A 40 -8.314 9.676 -8.458 1.00 0.66 N ATOM 349 CA LYS A 40 -8.028 10.386 -9.695 1.00 0.74 C ATOM 350 C LYS A 40 -8.642 11.783 -9.648 1.00 0.73 C ATOM 351 O LYS A 40 -8.251 12.670 -10.404 1.00 0.79 O ATOM 352 CB LYS A 40 -8.548 9.597 -10.907 1.00 0.82 C ATOM 353 CG LYS A 40 -9.992 9.894 -11.293 1.00 1.18 C ATOM 354 CD LYS A 40 -10.466 8.975 -12.408 1.00 1.09 C ATOM 355 CE LYS A 40 -11.581 9.606 -13.232 1.00 1.56 C ATOM 356 NZ LYS A 40 -12.775 9.953 -12.415 1.00 2.26 N ATOM 0 H LYS A 40 -9.063 8.987 -8.526 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.948 10.486 -9.802 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -7.907 9.809 -11.763 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -8.455 8.532 -10.696 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -10.636 9.774 -10.422 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -10.079 10.932 -11.613 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.626 8.732 -13.059 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -10.818 8.037 -11.979 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -11.204 10.506 -13.717 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -11.876 8.918 -14.024 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -13.474 10.440 -13.011 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -13.195 9.084 -12.028 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -12.491 10.578 -11.634 1.00 2.26 H new ATOM 370 N ALA A 41 -9.598 11.973 -8.742 1.00 0.68 N ATOM 371 CA ALA A 41 -10.251 13.261 -8.572 1.00 0.70 C ATOM 372 C ALA A 41 -9.460 14.152 -7.618 1.00 0.71 C ATOM 373 O ALA A 41 -9.843 15.295 -7.367 1.00 0.78 O ATOM 374 CB ALA A 41 -11.672 13.082 -8.062 1.00 0.68 C ATOM 0 H ALA A 41 -9.937 11.245 -8.113 1.00 0.68 H new ATOM 0 HA ALA A 41 -10.289 13.746 -9.547 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -12.141 14.058 -7.942 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -12.243 12.490 -8.777 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -11.652 12.569 -7.101 1.00 0.68 H new ATOM 380 N LYS A 42 -8.382 13.589 -7.066 1.00 0.68 N ATOM 381 CA LYS A 42 -7.453 14.318 -6.195 1.00 0.70 C ATOM 382 C LYS A 42 -8.028 14.533 -4.799 1.00 0.66 C ATOM 383 O LYS A 42 -7.560 15.393 -4.053 1.00 0.70 O ATOM 384 CB LYS A 42 -7.038 15.657 -6.819 1.00 0.82 C ATOM 385 CG LYS A 42 -5.963 15.518 -7.883 1.00 0.96 C ATOM 386 CD LYS A 42 -4.625 15.148 -7.263 1.00 1.41 C ATOM 387 CE LYS A 42 -3.555 14.934 -8.319 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.198 14.819 -7.717 1.00 2.30 N ATOM 0 H LYS A 42 -8.127 12.612 -7.210 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.563 13.696 -6.093 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.915 16.132 -7.259 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -6.677 16.320 -6.033 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.257 14.755 -8.604 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.867 16.455 -8.432 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -4.310 15.937 -6.581 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.738 14.240 -6.670 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -3.779 14.030 -8.885 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -3.570 15.764 -9.025 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -1.495 14.674 -8.470 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -1.974 15.692 -7.198 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.176 14.011 -7.062 1.00 2.30 H new ATOM 402 N ASP A 43 -9.019 13.734 -4.434 1.00 0.61 N ATOM 403 CA ASP A 43 -9.551 13.768 -3.079 1.00 0.58 C ATOM 404 C ASP A 43 -9.231 12.456 -2.378 1.00 0.52 C ATOM 405 O ASP A 43 -10.030 11.517 -2.386 1.00 0.54 O ATOM 406 CB ASP A 43 -11.064 13.999 -3.068 1.00 0.61 C ATOM 407 CG ASP A 43 -11.567 14.438 -1.701 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.236 13.779 -0.692 1.00 0.60 O ATOM 409 OD2 ASP A 43 -12.298 15.445 -1.623 1.00 0.73 O ATOM 0 H ASP A 43 -9.469 13.058 -5.052 1.00 0.61 H new ATOM 0 HA ASP A 43 -9.083 14.601 -2.554 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -11.320 14.757 -3.808 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.572 13.081 -3.363 1.00 0.61 H new ATOM 414 N TYR A 44 -8.044 12.380 -1.799 1.00 0.48 N ATOM 415 CA TYR A 44 -7.596 11.161 -1.159 1.00 0.45 C ATOM 416 C TYR A 44 -8.244 10.978 0.203 1.00 0.44 C ATOM 417 O TYR A 44 -8.263 9.874 0.732 1.00 0.43 O ATOM 418 CB TYR A 44 -6.076 11.167 -1.040 1.00 0.45 C ATOM 419 CG TYR A 44 -5.389 11.413 -2.362 1.00 0.48 C ATOM 420 CD1 TYR A 44 -5.418 10.456 -3.367 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.718 12.603 -2.608 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.797 10.679 -4.580 1.00 0.57 C ATOM 423 CE2 TYR A 44 -4.094 12.832 -3.819 1.00 0.65 C ATOM 424 CZ TYR A 44 -4.137 11.868 -4.801 1.00 0.64 C ATOM 425 OH TYR A 44 -3.512 12.090 -6.006 1.00 0.75 O ATOM 0 H TYR A 44 -7.376 13.150 -1.761 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.900 10.317 -1.778 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.774 11.937 -0.330 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.744 10.211 -0.635 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.934 9.523 -3.198 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.683 13.362 -1.840 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.829 9.925 -5.352 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.575 13.763 -3.995 1.00 0.65 H new ATOM 0 HH TYR A 44 -3.985 11.605 -6.714 1.00 0.75 H new ATOM 435 N GLU A 45 -8.789 12.051 0.759 1.00 0.48 N ATOM 436 CA GLU A 45 -9.441 11.975 2.061 1.00 0.50 C ATOM 437 C GLU A 45 -10.760 11.273 1.962 1.00 0.46 C ATOM 438 O GLU A 45 -11.070 10.395 2.771 1.00 0.43 O ATOM 439 CB GLU A 45 -9.644 13.356 2.639 1.00 0.61 C ATOM 440 CG GLU A 45 -8.332 14.009 2.908 1.00 0.76 C ATOM 441 CD GLU A 45 -8.456 15.347 3.600 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.773 15.375 4.805 1.00 1.47 O ATOM 443 OE2 GLU A 45 -8.239 16.384 2.936 1.00 1.17 O ATOM 0 H GLU A 45 -8.794 12.978 0.334 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.789 11.404 2.722 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.224 13.965 1.946 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -10.219 13.289 3.562 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -7.724 13.346 3.523 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -7.802 14.144 1.965 1.00 0.76 H new ATOM 450 N ASN A 46 -11.547 11.660 0.981 1.00 0.48 N ATOM 451 CA ASN A 46 -12.785 10.983 0.757 1.00 0.48 C ATOM 452 C ASN A 46 -12.502 9.550 0.339 1.00 0.43 C ATOM 453 O ASN A 46 -13.232 8.631 0.701 1.00 0.43 O ATOM 454 CB ASN A 46 -13.651 11.683 -0.293 1.00 0.53 C ATOM 455 CG ASN A 46 -14.514 12.789 0.284 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.651 12.553 0.681 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.991 14.000 0.318 1.00 0.63 N ATOM 0 H ASN A 46 -11.348 12.428 0.341 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.349 10.997 1.689 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -13.006 12.100 -1.066 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.292 10.946 -0.776 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.536 14.781 0.684 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -13.042 14.155 -0.022 1.00 0.63 H new ATOM 464 N ALA A 47 -11.422 9.371 -0.412 1.00 0.41 N ATOM 465 CA ALA A 47 -10.955 8.042 -0.777 1.00 0.38 C ATOM 466 C ALA A 47 -10.676 7.218 0.481 1.00 0.34 C ATOM 467 O ALA A 47 -11.188 6.109 0.627 1.00 0.32 O ATOM 468 CB ALA A 47 -9.715 8.148 -1.651 1.00 0.40 C ATOM 0 H ALA A 47 -10.853 10.133 -0.780 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.731 7.533 -1.349 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.372 7.149 -1.919 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.955 8.705 -2.557 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.928 8.667 -1.104 1.00 0.40 H new ATOM 474 N ILE A 48 -9.885 7.791 1.393 1.00 0.34 N ATOM 475 CA ILE A 48 -9.617 7.196 2.706 1.00 0.32 C ATOM 476 C ILE A 48 -10.920 6.753 3.370 1.00 0.29 C ATOM 477 O ILE A 48 -11.019 5.648 3.912 1.00 0.28 O ATOM 478 CB ILE A 48 -8.894 8.215 3.627 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.450 8.430 3.170 1.00 0.37 C ATOM 480 CG2 ILE A 48 -8.922 7.773 5.082 1.00 0.39 C ATOM 481 CD1 ILE A 48 -6.767 9.599 3.847 1.00 0.42 C ATOM 0 H ILE A 48 -9.412 8.682 1.242 1.00 0.34 H new ATOM 0 HA ILE A 48 -8.976 6.327 2.557 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.432 9.160 3.551 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -6.877 7.523 3.365 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.439 8.589 2.092 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -8.406 8.511 5.696 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -9.956 7.682 5.415 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -8.424 6.808 5.179 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -5.747 9.690 3.474 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.316 10.516 3.631 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -6.746 9.434 4.924 1.00 0.42 H new ATOM 493 N LYS A 49 -11.916 7.623 3.302 1.00 0.31 N ATOM 494 CA LYS A 49 -13.232 7.353 3.857 1.00 0.32 C ATOM 495 C LYS A 49 -13.874 6.136 3.194 1.00 0.27 C ATOM 496 O LYS A 49 -14.319 5.215 3.874 1.00 0.27 O ATOM 497 CB LYS A 49 -14.117 8.588 3.685 1.00 0.39 C ATOM 498 CG LYS A 49 -15.581 8.358 4.006 1.00 0.44 C ATOM 499 CD LYS A 49 -16.363 9.658 3.922 1.00 0.63 C ATOM 500 CE LYS A 49 -16.495 10.147 2.492 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.321 11.377 2.412 1.00 1.50 N ATOM 0 H LYS A 49 -11.834 8.538 2.859 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.125 7.128 4.918 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -13.738 9.384 4.326 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -14.034 8.939 2.657 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -16.000 7.631 3.311 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -15.676 7.935 5.006 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.355 9.513 4.349 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -15.866 10.420 4.522 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.505 10.345 2.081 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.944 9.365 1.879 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -16.902 12.032 1.721 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -18.286 11.129 2.113 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -17.355 11.834 3.346 1.00 1.50 H new ATOM 515 N PHE A 50 -13.906 6.126 1.869 1.00 0.27 N ATOM 516 CA PHE A 50 -14.537 5.037 1.129 1.00 0.27 C ATOM 517 C PHE A 50 -13.793 3.716 1.322 1.00 0.23 C ATOM 518 O PHE A 50 -14.417 2.659 1.382 1.00 0.25 O ATOM 519 CB PHE A 50 -14.664 5.388 -0.356 1.00 0.35 C ATOM 520 CG PHE A 50 -15.799 6.333 -0.651 1.00 0.43 C ATOM 521 CD1 PHE A 50 -15.637 7.703 -0.535 1.00 0.71 C ATOM 522 CD2 PHE A 50 -17.034 5.847 -1.035 1.00 0.56 C ATOM 523 CE1 PHE A 50 -16.682 8.568 -0.795 1.00 0.81 C ATOM 524 CE2 PHE A 50 -18.085 6.704 -1.299 1.00 0.65 C ATOM 525 CZ PHE A 50 -17.909 8.067 -1.177 1.00 0.66 C ATOM 0 H PHE A 50 -13.504 6.858 1.283 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.541 4.904 1.533 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -13.730 5.835 -0.697 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.806 4.471 -0.928 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -14.679 8.102 -0.237 1.00 0.71 H new ATOM 0 HD2 PHE A 50 -17.180 4.781 -1.130 1.00 0.56 H new ATOM 0 HE1 PHE A 50 -16.539 9.634 -0.699 1.00 0.81 H new ATOM 0 HE2 PHE A 50 -19.043 6.307 -1.601 1.00 0.65 H new ATOM 0 HZ PHE A 50 -18.729 8.739 -1.380 1.00 0.66 H new ATOM 535 N TYR A 51 -12.471 3.772 1.441 1.00 0.23 N ATOM 536 CA TYR A 51 -11.698 2.570 1.731 1.00 0.25 C ATOM 537 C TYR A 51 -12.042 2.048 3.125 1.00 0.21 C ATOM 538 O TYR A 51 -12.192 0.844 3.330 1.00 0.23 O ATOM 539 CB TYR A 51 -10.192 2.829 1.611 1.00 0.31 C ATOM 540 CG TYR A 51 -9.740 3.136 0.199 1.00 0.43 C ATOM 541 CD1 TYR A 51 -10.085 2.299 -0.854 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.985 4.267 -0.085 1.00 0.51 C ATOM 543 CE1 TYR A 51 -9.690 2.578 -2.148 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.590 4.556 -1.378 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.945 3.707 -2.405 1.00 0.72 C ATOM 546 OH TYR A 51 -8.564 3.993 -3.696 1.00 0.88 O ATOM 0 H TYR A 51 -11.919 4.624 1.343 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.962 1.813 0.993 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.923 3.663 2.259 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.651 1.955 1.975 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.673 1.414 -0.658 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.702 4.932 0.718 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.964 1.914 -2.954 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -8.007 5.442 -1.583 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.658 3.654 -3.853 1.00 0.88 H new ATOM 556 N SER A 52 -12.202 2.963 4.072 1.00 0.20 N ATOM 557 CA SER A 52 -12.596 2.594 5.422 1.00 0.22 C ATOM 558 C SER A 52 -13.991 1.989 5.405 1.00 0.22 C ATOM 559 O SER A 52 -14.255 0.989 6.067 1.00 0.23 O ATOM 560 CB SER A 52 -12.558 3.814 6.341 1.00 0.25 C ATOM 561 OG SER A 52 -11.267 4.399 6.349 1.00 0.56 O ATOM 0 H SER A 52 -12.065 3.964 3.929 1.00 0.20 H new ATOM 0 HA SER A 52 -11.893 1.854 5.804 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.292 4.548 6.009 1.00 0.25 H new ATOM 0 HB3 SER A 52 -12.835 3.521 7.354 1.00 0.25 H new ATOM 0 HG SER A 52 -11.131 4.903 5.520 1.00 0.56 H new ATOM 567 N GLN A 53 -14.869 2.585 4.607 1.00 0.24 N ATOM 568 CA GLN A 53 -16.231 2.096 4.462 1.00 0.27 C ATOM 569 C GLN A 53 -16.247 0.680 3.886 1.00 0.26 C ATOM 570 O GLN A 53 -17.120 -0.122 4.209 1.00 0.30 O ATOM 571 CB GLN A 53 -17.044 3.044 3.582 1.00 0.31 C ATOM 572 CG GLN A 53 -17.329 4.389 4.226 1.00 0.37 C ATOM 573 CD GLN A 53 -18.342 5.199 3.444 1.00 0.49 C ATOM 574 OE1 GLN A 53 -17.872 6.006 2.506 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -19.545 5.099 3.682 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.658 3.412 4.048 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.688 2.061 5.451 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.507 3.206 2.647 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.990 2.566 3.328 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.697 4.233 5.240 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.400 4.954 4.307 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -19.869 4.466 4.413 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -20.218 5.649 3.148 1.00 0.94 H new ATOM 584 N ALA A 54 -15.268 0.366 3.046 1.00 0.23 N ATOM 585 CA ALA A 54 -15.129 -0.983 2.511 1.00 0.24 C ATOM 586 C ALA A 54 -14.764 -1.961 3.625 1.00 0.23 C ATOM 587 O ALA A 54 -15.123 -3.136 3.581 1.00 0.25 O ATOM 588 CB ALA A 54 -14.086 -1.011 1.404 1.00 0.25 C ATOM 0 H ALA A 54 -14.560 1.025 2.721 1.00 0.23 H new ATOM 0 HA ALA A 54 -16.085 -1.290 2.086 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.995 -2.025 1.016 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.391 -0.341 0.600 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -13.124 -0.687 1.802 1.00 0.25 H new ATOM 594 N ILE A 55 -14.067 -1.447 4.632 1.00 0.22 N ATOM 595 CA ILE A 55 -13.699 -2.224 5.820 1.00 0.22 C ATOM 596 C ILE A 55 -14.860 -2.251 6.814 1.00 0.24 C ATOM 597 O ILE A 55 -14.826 -2.937 7.837 1.00 0.27 O ATOM 598 CB ILE A 55 -12.460 -1.612 6.494 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.369 -1.383 5.457 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.950 -2.514 7.608 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.303 -0.426 5.918 1.00 0.28 C ATOM 0 H ILE A 55 -13.739 -0.481 4.652 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.470 -3.243 5.508 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.740 -0.655 6.935 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.907 -2.338 5.208 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.821 -1.000 4.542 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -11.073 -2.061 8.070 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.730 -2.642 8.358 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.681 -3.486 7.195 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.557 -0.307 5.133 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.754 0.541 6.140 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.826 -0.818 6.816 1.00 0.28 H new ATOM 613 N GLU A 56 -15.882 -1.479 6.518 1.00 0.27 N ATOM 614 CA GLU A 56 -17.114 -1.529 7.284 1.00 0.31 C ATOM 615 C GLU A 56 -18.045 -2.570 6.674 1.00 0.31 C ATOM 616 O GLU A 56 -18.947 -3.084 7.335 1.00 0.34 O ATOM 617 CB GLU A 56 -17.769 -0.152 7.287 1.00 0.34 C ATOM 618 CG GLU A 56 -16.793 0.961 7.632 1.00 0.36 C ATOM 619 CD GLU A 56 -16.458 1.025 9.107 1.00 0.45 C ATOM 620 OE1 GLU A 56 -15.785 0.103 9.614 1.00 0.81 O ATOM 621 OE2 GLU A 56 -16.864 1.998 9.771 1.00 0.78 O ATOM 0 H GLU A 56 -15.887 -0.807 5.751 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.901 -1.812 8.315 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.203 0.042 6.306 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.589 -0.146 8.005 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.874 0.819 7.063 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.216 1.916 7.320 1.00 0.36 H new ATOM 628 N LEU A 57 -17.804 -2.872 5.403 1.00 0.31 N ATOM 629 CA LEU A 57 -18.554 -3.900 4.693 1.00 0.33 C ATOM 630 C LEU A 57 -17.859 -5.250 4.839 1.00 0.33 C ATOM 631 O LEU A 57 -18.433 -6.199 5.368 1.00 0.40 O ATOM 632 CB LEU A 57 -18.677 -3.528 3.218 1.00 0.34 C ATOM 633 CG LEU A 57 -19.176 -2.109 2.956 1.00 0.35 C ATOM 634 CD1 LEU A 57 -19.150 -1.806 1.477 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.575 -1.913 3.510 1.00 0.40 C ATOM 0 H LEU A 57 -17.088 -2.414 4.839 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.553 -3.972 5.124 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.703 -3.649 2.745 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -19.355 -4.232 2.735 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.508 -1.416 3.468 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.509 -0.791 1.307 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -18.130 -1.897 1.105 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.793 -2.511 0.950 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.906 -0.894 3.310 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -21.257 -2.617 3.033 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.568 -2.087 4.586 1.00 0.40 H new ATOM 647 N ASN A 58 -16.615 -5.328 4.377 1.00 0.29 N ATOM 648 CA ASN A 58 -15.796 -6.499 4.619 1.00 0.30 C ATOM 649 C ASN A 58 -14.977 -6.178 5.860 1.00 0.30 C ATOM 650 O ASN A 58 -14.983 -5.038 6.287 1.00 0.34 O ATOM 651 CB ASN A 58 -14.899 -6.702 3.374 1.00 0.35 C ATOM 652 CG ASN A 58 -13.936 -7.878 3.455 1.00 0.59 C ATOM 653 OD1 ASN A 58 -12.814 -7.749 3.938 1.00 1.53 O ATOM 654 ND2 ASN A 58 -14.354 -9.025 2.947 1.00 0.57 N ATOM 0 H ASN A 58 -16.158 -4.594 3.835 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.366 -7.414 4.779 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.539 -6.837 2.502 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -14.323 -5.792 3.209 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -13.738 -9.838 2.948 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -15.292 -9.097 2.554 1.00 0.57 H new ATOM 661 N PRO A 59 -14.272 -7.122 6.473 1.00 0.31 N ATOM 662 CA PRO A 59 -13.322 -6.801 7.518 1.00 0.35 C ATOM 663 C PRO A 59 -11.847 -6.959 7.138 1.00 0.35 C ATOM 664 O PRO A 59 -11.186 -5.995 6.745 1.00 0.35 O ATOM 665 CB PRO A 59 -13.741 -7.791 8.584 1.00 0.41 C ATOM 666 CG PRO A 59 -14.244 -9.000 7.829 1.00 0.41 C ATOM 667 CD PRO A 59 -14.478 -8.565 6.394 1.00 0.34 C ATOM 0 HA PRO A 59 -13.355 -5.750 7.803 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.903 -8.051 9.230 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -14.519 -7.375 9.224 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.517 -9.811 7.872 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -15.166 -9.375 8.273 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.779 -9.039 5.705 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.482 -8.815 6.051 1.00 0.34 H new ATOM 675 N SER A 60 -11.343 -8.181 7.271 1.00 0.44 N ATOM 676 CA SER A 60 -9.934 -8.465 7.080 1.00 0.49 C ATOM 677 C SER A 60 -9.588 -8.517 5.599 1.00 0.49 C ATOM 678 O SER A 60 -9.481 -9.591 5.004 1.00 0.68 O ATOM 679 CB SER A 60 -9.567 -9.788 7.764 1.00 0.63 C ATOM 680 OG SER A 60 -8.181 -10.060 7.664 1.00 1.52 O ATOM 0 H SER A 60 -11.903 -8.998 7.514 1.00 0.44 H new ATOM 0 HA SER A 60 -9.355 -7.661 7.534 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.855 -9.747 8.814 1.00 0.63 H new ATOM 0 HB3 SER A 60 -10.132 -10.602 7.310 1.00 0.63 H new ATOM 0 HG SER A 60 -7.981 -10.909 8.111 1.00 1.52 H new ATOM 686 N ASN A 61 -9.455 -7.351 5.001 1.00 0.43 N ATOM 687 CA ASN A 61 -9.035 -7.258 3.622 1.00 0.45 C ATOM 688 C ASN A 61 -7.796 -6.391 3.533 1.00 0.38 C ATOM 689 O ASN A 61 -7.879 -5.161 3.576 1.00 0.34 O ATOM 690 CB ASN A 61 -10.147 -6.683 2.749 1.00 0.48 C ATOM 691 CG ASN A 61 -9.851 -6.847 1.274 1.00 0.79 C ATOM 692 OD1 ASN A 61 -9.186 -6.013 0.668 1.00 1.76 O ATOM 693 ND2 ASN A 61 -10.354 -7.918 0.683 1.00 1.07 N ATOM 0 H ASN A 61 -9.633 -6.453 5.452 1.00 0.43 H new ATOM 0 HA ASN A 61 -8.807 -8.259 3.256 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -11.088 -7.179 2.987 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -10.277 -5.625 2.977 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -10.194 -8.074 -0.312 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -10.902 -8.588 1.223 1.00 1.07 H new ATOM 700 N ALA A 62 -6.646 -7.045 3.431 1.00 0.42 N ATOM 701 CA ALA A 62 -5.360 -6.356 3.377 1.00 0.42 C ATOM 702 C ALA A 62 -5.290 -5.399 2.196 1.00 0.37 C ATOM 703 O ALA A 62 -4.538 -4.431 2.211 1.00 0.38 O ATOM 704 CB ALA A 62 -4.233 -7.367 3.297 1.00 0.52 C ATOM 0 H ALA A 62 -6.577 -8.062 3.384 1.00 0.42 H new ATOM 0 HA ALA A 62 -5.255 -5.769 4.289 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -3.277 -6.844 3.257 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -4.258 -8.010 4.177 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -4.352 -7.974 2.400 1.00 0.52 H new ATOM 710 N ILE A 63 -6.089 -5.673 1.179 1.00 0.36 N ATOM 711 CA ILE A 63 -6.139 -4.834 -0.005 1.00 0.35 C ATOM 712 C ILE A 63 -6.741 -3.468 0.320 1.00 0.31 C ATOM 713 O ILE A 63 -6.224 -2.440 -0.102 1.00 0.34 O ATOM 714 CB ILE A 63 -6.944 -5.522 -1.129 1.00 0.43 C ATOM 715 CG1 ILE A 63 -6.211 -6.780 -1.596 1.00 0.57 C ATOM 716 CG2 ILE A 63 -7.190 -4.578 -2.295 1.00 0.49 C ATOM 717 CD1 ILE A 63 -4.819 -6.509 -2.104 1.00 0.74 C ATOM 0 H ILE A 63 -6.716 -6.477 1.151 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.117 -4.684 -0.353 1.00 0.35 H new ATOM 0 HB ILE A 63 -7.918 -5.805 -0.729 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.156 -7.488 -0.769 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -6.791 -7.257 -2.386 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -7.759 -5.095 -3.068 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -7.753 -3.711 -1.949 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -6.235 -4.250 -2.706 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -4.358 -7.445 -2.418 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -4.868 -5.826 -2.952 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -4.223 -6.060 -1.310 1.00 0.74 H new ATOM 729 N TYR A 64 -7.816 -3.460 1.097 1.00 0.29 N ATOM 730 CA TYR A 64 -8.472 -2.213 1.465 1.00 0.28 C ATOM 731 C TYR A 64 -7.600 -1.419 2.429 1.00 0.30 C ATOM 732 O TYR A 64 -7.473 -0.202 2.308 1.00 0.34 O ATOM 733 CB TYR A 64 -9.840 -2.484 2.092 1.00 0.26 C ATOM 734 CG TYR A 64 -10.800 -3.215 1.181 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.663 -3.167 -0.202 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.838 -3.968 1.709 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.533 -3.848 -1.029 1.00 0.30 C ATOM 738 CE2 TYR A 64 -12.710 -4.655 0.889 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.554 -4.593 -0.479 1.00 0.35 C ATOM 740 OH TYR A 64 -13.415 -5.283 -1.299 1.00 0.42 O ATOM 0 H TYR A 64 -8.250 -4.298 1.483 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.619 -1.626 0.559 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.702 -3.069 3.002 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.287 -1.535 2.388 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -9.862 -2.587 -0.636 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -11.966 -4.018 2.780 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.415 -3.797 -2.101 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -13.511 -5.239 1.317 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.917 -5.938 -0.770 1.00 0.42 H new ATOM 750 N TYR A 65 -6.989 -2.122 3.374 1.00 0.30 N ATOM 751 CA TYR A 65 -6.071 -1.498 4.320 1.00 0.32 C ATOM 752 C TYR A 65 -4.811 -0.996 3.607 1.00 0.33 C ATOM 753 O TYR A 65 -4.313 0.094 3.891 1.00 0.37 O ATOM 754 CB TYR A 65 -5.702 -2.488 5.432 1.00 0.34 C ATOM 755 CG TYR A 65 -6.704 -2.553 6.572 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.840 -3.359 6.508 1.00 0.37 C ATOM 757 CD2 TYR A 65 -6.495 -1.818 7.729 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.728 -3.423 7.568 1.00 0.40 C ATOM 759 CE2 TYR A 65 -7.380 -1.875 8.787 1.00 0.58 C ATOM 760 CZ TYR A 65 -8.492 -2.679 8.704 1.00 0.47 C ATOM 761 OH TYR A 65 -9.368 -2.743 9.764 1.00 0.55 O ATOM 0 H TYR A 65 -7.112 -3.126 3.506 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.570 -0.639 4.768 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.600 -3.482 4.997 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.727 -2.215 5.836 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -8.030 -3.942 5.619 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -5.621 -1.188 7.804 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.603 -4.054 7.505 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -7.199 -1.290 9.677 1.00 0.58 H new ATOM 0 HH TYR A 65 -9.053 -2.158 10.485 1.00 0.55 H new ATOM 771 N GLY A 66 -4.313 -1.785 2.663 1.00 0.35 N ATOM 772 CA GLY A 66 -3.134 -1.396 1.909 1.00 0.41 C ATOM 773 C GLY A 66 -3.413 -0.255 0.951 1.00 0.43 C ATOM 774 O GLY A 66 -2.517 0.515 0.609 1.00 0.51 O ATOM 0 H GLY A 66 -4.705 -2.690 2.405 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -2.344 -1.102 2.600 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.764 -2.255 1.349 1.00 0.41 H new ATOM 778 N ASN A 67 -4.661 -0.138 0.526 1.00 0.44 N ATOM 779 CA ASN A 67 -5.051 0.919 -0.392 1.00 0.57 C ATOM 780 C ASN A 67 -5.342 2.205 0.378 1.00 0.41 C ATOM 781 O ASN A 67 -5.069 3.306 -0.098 1.00 0.38 O ATOM 782 CB ASN A 67 -6.274 0.483 -1.201 1.00 0.84 C ATOM 783 CG ASN A 67 -6.461 1.288 -2.473 1.00 1.28 C ATOM 784 OD1 ASN A 67 -6.144 2.470 -2.534 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.967 0.638 -3.511 1.00 1.35 N ATOM 0 H ASN A 67 -5.420 -0.761 0.802 1.00 0.44 H new ATOM 0 HA ASN A 67 -4.230 1.112 -1.083 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -6.176 -0.572 -1.456 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -7.166 0.580 -0.582 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -7.104 1.122 -4.398 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -7.219 -0.346 -3.423 1.00 1.35 H new ATOM 792 N ARG A 68 -5.876 2.072 1.587 1.00 0.39 N ATOM 793 CA ARG A 68 -6.123 3.241 2.417 1.00 0.39 C ATOM 794 C ARG A 68 -4.803 3.841 2.885 1.00 0.31 C ATOM 795 O ARG A 68 -4.653 5.065 2.945 1.00 0.32 O ATOM 796 CB ARG A 68 -7.006 2.911 3.618 1.00 0.53 C ATOM 797 CG ARG A 68 -7.344 4.141 4.443 1.00 0.80 C ATOM 798 CD ARG A 68 -8.273 3.820 5.596 1.00 0.48 C ATOM 799 NE ARG A 68 -7.695 2.861 6.532 1.00 0.94 N ATOM 800 CZ ARG A 68 -8.327 2.397 7.610 1.00 1.16 C ATOM 801 NH1 ARG A 68 -9.570 2.780 7.876 1.00 1.42 N ATOM 802 NH2 ARG A 68 -7.717 1.547 8.421 1.00 1.87 N ATOM 0 H ARG A 68 -6.142 1.181 2.007 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.656 3.970 1.807 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -7.928 2.445 3.271 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -6.499 2.182 4.249 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -6.425 4.580 4.831 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.809 4.890 3.802 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -8.517 4.740 6.128 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -9.208 3.421 5.204 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.749 2.525 6.350 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -10.047 3.433 7.254 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -10.048 2.421 8.702 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.763 1.247 8.221 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -8.201 1.192 9.246 1.00 1.87 H new ATOM 816 N SER A 69 -3.844 2.981 3.209 1.00 0.31 N ATOM 817 CA SER A 69 -2.502 3.437 3.537 1.00 0.32 C ATOM 818 C SER A 69 -1.871 4.121 2.331 1.00 0.27 C ATOM 819 O SER A 69 -1.140 5.094 2.475 1.00 0.27 O ATOM 820 CB SER A 69 -1.639 2.276 4.036 1.00 0.43 C ATOM 821 OG SER A 69 -1.836 1.115 3.258 1.00 1.16 O ATOM 0 H SER A 69 -3.971 1.970 3.251 1.00 0.31 H new ATOM 0 HA SER A 69 -2.567 4.166 4.345 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.588 2.563 4.005 1.00 0.43 H new ATOM 0 HB3 SER A 69 -1.880 2.063 5.077 1.00 0.43 H new ATOM 0 HG SER A 69 -2.642 0.649 3.564 1.00 1.16 H new ATOM 827 N LEU A 70 -2.186 3.620 1.143 1.00 0.28 N ATOM 828 CA LEU A 70 -1.777 4.253 -0.101 1.00 0.31 C ATOM 829 C LEU A 70 -2.391 5.655 -0.213 1.00 0.31 C ATOM 830 O LEU A 70 -1.741 6.583 -0.685 1.00 0.38 O ATOM 831 CB LEU A 70 -2.170 3.350 -1.288 1.00 0.36 C ATOM 832 CG LEU A 70 -1.730 3.801 -2.691 1.00 0.46 C ATOM 833 CD1 LEU A 70 -2.744 4.757 -3.299 1.00 1.25 C ATOM 834 CD2 LEU A 70 -0.344 4.437 -2.649 1.00 1.16 C ATOM 0 H LEU A 70 -2.730 2.767 1.017 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.694 4.377 -0.116 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.758 2.357 -1.108 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -3.255 3.249 -1.291 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.678 2.916 -3.326 1.00 0.46 H new ATOM 0 HD11 LEU A 70 -2.409 5.061 -4.291 1.00 1.25 H new ATOM 0 HD12 LEU A 70 -3.711 4.260 -3.379 1.00 1.25 H new ATOM 0 HD13 LEU A 70 -2.841 5.637 -2.664 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -0.056 4.747 -3.653 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -0.362 5.306 -1.992 1.00 1.16 H new ATOM 0 HD23 LEU A 70 0.378 3.712 -2.272 1.00 1.16 H new ATOM 846 N ALA A 71 -3.625 5.818 0.255 1.00 0.26 N ATOM 847 CA ALA A 71 -4.282 7.116 0.259 1.00 0.30 C ATOM 848 C ALA A 71 -3.585 8.056 1.237 1.00 0.29 C ATOM 849 O ALA A 71 -3.316 9.219 0.919 1.00 0.36 O ATOM 850 CB ALA A 71 -5.751 6.964 0.615 1.00 0.32 C ATOM 0 H ALA A 71 -4.191 5.061 0.638 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.215 7.546 -0.740 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.229 7.944 0.614 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.239 6.322 -0.118 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.841 6.518 1.605 1.00 0.32 H new ATOM 856 N TYR A 72 -3.294 7.542 2.429 1.00 0.25 N ATOM 857 CA TYR A 72 -2.477 8.268 3.394 1.00 0.25 C ATOM 858 C TYR A 72 -1.111 8.599 2.788 1.00 0.26 C ATOM 859 O TYR A 72 -0.532 9.651 3.061 1.00 0.30 O ATOM 860 CB TYR A 72 -2.291 7.450 4.676 1.00 0.25 C ATOM 861 CG TYR A 72 -3.531 7.342 5.542 1.00 0.29 C ATOM 862 CD1 TYR A 72 -4.160 8.477 6.040 1.00 0.34 C ATOM 863 CD2 TYR A 72 -4.066 6.103 5.874 1.00 0.41 C ATOM 864 CE1 TYR A 72 -5.285 8.379 6.838 1.00 0.41 C ATOM 865 CE2 TYR A 72 -5.187 5.997 6.670 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.792 7.135 7.149 1.00 0.43 C ATOM 867 OH TYR A 72 -6.905 7.026 7.947 1.00 0.52 O ATOM 0 H TYR A 72 -3.612 6.627 2.748 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.992 9.195 3.645 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.964 6.446 4.406 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.491 7.899 5.265 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.763 9.452 5.800 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -3.595 5.206 5.501 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.763 9.271 7.215 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -5.588 5.025 6.916 1.00 0.47 H new ATOM 0 HH TYR A 72 -7.130 6.080 8.067 1.00 0.52 H new ATOM 877 N LEU A 73 -0.614 7.687 1.959 1.00 0.26 N ATOM 878 CA LEU A 73 0.660 7.857 1.268 1.00 0.30 C ATOM 879 C LEU A 73 0.592 8.960 0.214 1.00 0.37 C ATOM 880 O LEU A 73 1.589 9.626 -0.055 1.00 0.50 O ATOM 881 CB LEU A 73 1.085 6.534 0.617 1.00 0.31 C ATOM 882 CG LEU A 73 1.773 5.535 1.549 1.00 0.31 C ATOM 883 CD1 LEU A 73 1.984 4.205 0.842 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.102 6.088 2.036 1.00 0.43 C ATOM 0 H LEU A 73 -1.084 6.807 1.747 1.00 0.26 H new ATOM 0 HA LEU A 73 1.401 8.154 2.010 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.202 6.058 0.191 1.00 0.31 H new ATOM 0 HB3 LEU A 73 1.758 6.756 -0.211 1.00 0.31 H new ATOM 0 HG LEU A 73 1.128 5.372 2.412 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.475 3.506 1.520 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.020 3.798 0.537 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.609 4.356 -0.038 1.00 0.33 H new ATOM 0 HD21 LEU A 73 3.577 5.364 2.698 1.00 0.43 H new ATOM 0 HD22 LEU A 73 3.751 6.279 1.182 1.00 0.43 H new ATOM 0 HD23 LEU A 73 2.932 7.018 2.578 1.00 0.43 H new ATOM 896 N ARG A 74 -0.581 9.152 -0.381 1.00 0.38 N ATOM 897 CA ARG A 74 -0.750 10.182 -1.402 1.00 0.48 C ATOM 898 C ARG A 74 -0.665 11.563 -0.777 1.00 0.53 C ATOM 899 O ARG A 74 -0.032 12.470 -1.318 1.00 0.67 O ATOM 900 CB ARG A 74 -2.106 10.067 -2.107 1.00 0.51 C ATOM 901 CG ARG A 74 -2.454 8.683 -2.623 1.00 0.48 C ATOM 902 CD ARG A 74 -1.356 8.109 -3.507 1.00 1.19 C ATOM 903 NE ARG A 74 -1.124 8.905 -4.710 1.00 1.95 N ATOM 904 CZ ARG A 74 0.085 9.128 -5.224 1.00 2.78 C ATOM 905 NH1 ARG A 74 1.163 8.659 -4.607 1.00 3.07 N ATOM 906 NH2 ARG A 74 0.211 9.817 -6.348 1.00 3.53 N ATOM 0 H ARG A 74 -1.423 8.613 -0.177 1.00 0.38 H new ATOM 0 HA ARG A 74 0.048 10.037 -2.130 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -2.885 10.385 -1.414 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.121 10.764 -2.945 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -2.626 8.015 -1.779 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -3.385 8.730 -3.187 1.00 0.48 H new ATOM 0 HD2 ARG A 74 -0.431 8.046 -2.934 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -1.622 7.092 -3.795 1.00 1.19 H new ATOM 0 HE ARG A 74 -1.931 9.312 -5.182 1.00 1.95 H new ATOM 0 HH11 ARG A 74 1.065 8.129 -3.741 1.00 3.07 H new ATOM 0 HH12 ARG A 74 2.089 8.829 -4.999 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -0.618 10.177 -6.821 1.00 3.53 H new ATOM 0 HH22 ARG A 74 1.137 9.987 -6.741 1.00 3.53 H new ATOM 920 N THR A 75 -1.315 11.707 0.364 1.00 0.48 N ATOM 921 CA THR A 75 -1.465 13.001 0.996 1.00 0.57 C ATOM 922 C THR A 75 -0.174 13.448 1.692 1.00 0.70 C ATOM 923 O THR A 75 0.648 14.156 1.105 1.00 1.53 O ATOM 924 CB THR A 75 -2.640 12.961 2.002 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.440 11.914 2.969 1.00 0.55 O ATOM 926 CG2 THR A 75 -3.955 12.708 1.279 1.00 0.49 C ATOM 0 H THR A 75 -1.749 10.937 0.873 1.00 0.48 H new ATOM 0 HA THR A 75 -1.682 13.733 0.218 1.00 0.57 H new ATOM 0 HB THR A 75 -2.678 13.927 2.506 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.727 12.226 3.853 1.00 0.55 H new ATOM 0 HG21 THR A 75 -4.769 12.683 2.003 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.134 13.506 0.559 1.00 0.49 H new ATOM 0 HG23 THR A 75 -3.905 11.753 0.756 1.00 0.49 H new ATOM 934 N GLU A 76 0.003 12.997 2.923 1.00 0.57 N ATOM 935 CA GLU A 76 1.163 13.351 3.739 1.00 0.59 C ATOM 936 C GLU A 76 1.116 12.574 5.047 1.00 0.42 C ATOM 937 O GLU A 76 1.734 12.952 6.040 1.00 0.45 O ATOM 938 CB GLU A 76 1.156 14.849 4.041 1.00 0.86 C ATOM 939 CG GLU A 76 -0.166 15.328 4.617 1.00 1.85 C ATOM 940 CD GLU A 76 -0.145 16.783 5.022 1.00 2.38 C ATOM 941 OE1 GLU A 76 0.247 17.628 4.191 1.00 2.77 O ATOM 942 OE2 GLU A 76 -0.492 17.093 6.182 1.00 2.71 O ATOM 0 H GLU A 76 -0.654 12.372 3.390 1.00 0.57 H new ATOM 0 HA GLU A 76 2.072 13.101 3.192 1.00 0.59 H new ATOM 0 HB2 GLU A 76 1.957 15.077 4.744 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.369 15.400 3.125 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -0.954 15.174 3.879 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.419 14.719 5.485 1.00 1.85 H new ATOM 949 N CYS A 77 0.412 11.461 5.016 1.00 0.32 N ATOM 950 CA CYS A 77 0.047 10.744 6.220 1.00 0.32 C ATOM 951 C CYS A 77 0.823 9.450 6.322 1.00 0.32 C ATOM 952 O CYS A 77 0.297 8.440 6.779 1.00 0.35 O ATOM 953 CB CYS A 77 -1.448 10.457 6.216 1.00 0.33 C ATOM 954 SG CYS A 77 -2.486 11.924 6.012 1.00 0.37 S ATOM 0 H CYS A 77 0.077 11.028 4.155 1.00 0.32 H new ATOM 0 HA CYS A 77 0.291 11.363 7.084 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.669 9.755 5.412 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.714 9.965 7.151 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.729 11.563 5.895 1.00 0.37 H new ATOM 960 N TYR A 78 2.064 9.486 5.863 1.00 0.34 N ATOM 961 CA TYR A 78 2.910 8.301 5.813 1.00 0.38 C ATOM 962 C TYR A 78 3.004 7.613 7.177 1.00 0.41 C ATOM 963 O TYR A 78 3.272 6.415 7.251 1.00 0.43 O ATOM 964 CB TYR A 78 4.307 8.664 5.322 1.00 0.44 C ATOM 965 CG TYR A 78 4.335 9.768 4.284 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.553 9.692 3.138 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.146 10.883 4.449 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.578 10.694 2.186 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.179 11.888 3.499 1.00 0.66 C ATOM 970 CZ TYR A 78 4.395 11.788 2.368 1.00 0.66 C ATOM 971 OH TYR A 78 4.431 12.783 1.416 1.00 0.84 O ATOM 0 H TYR A 78 2.513 10.333 5.516 1.00 0.34 H new ATOM 0 HA TYR A 78 2.450 7.603 5.113 1.00 0.38 H new ATOM 0 HB2 TYR A 78 4.912 8.969 6.176 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.775 7.774 4.901 1.00 0.44 H new ATOM 0 HD1 TYR A 78 2.914 8.834 2.988 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.761 10.967 5.333 1.00 0.54 H new ATOM 0 HE1 TYR A 78 2.960 10.619 1.304 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.816 12.748 3.642 1.00 0.66 H new ATOM 0 HH TYR A 78 5.057 13.483 1.698 1.00 0.84 H new ATOM 981 N GLY A 79 2.785 8.370 8.247 1.00 0.43 N ATOM 982 CA GLY A 79 2.728 7.781 9.571 1.00 0.49 C ATOM 983 C GLY A 79 1.542 6.847 9.704 1.00 0.42 C ATOM 984 O GLY A 79 1.696 5.684 10.087 1.00 0.42 O ATOM 0 H GLY A 79 2.646 9.380 8.220 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.650 7.233 9.768 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.659 8.570 10.320 1.00 0.49 H new ATOM 988 N TYR A 80 0.356 7.358 9.377 1.00 0.38 N ATOM 989 CA TYR A 80 -0.849 6.538 9.331 1.00 0.36 C ATOM 990 C TYR A 80 -0.686 5.440 8.296 1.00 0.30 C ATOM 991 O TYR A 80 -1.107 4.309 8.511 1.00 0.32 O ATOM 992 CB TYR A 80 -2.082 7.373 8.972 1.00 0.40 C ATOM 993 CG TYR A 80 -2.500 8.375 10.026 1.00 0.56 C ATOM 994 CD1 TYR A 80 -2.468 8.055 11.379 1.00 0.96 C ATOM 995 CD2 TYR A 80 -2.952 9.636 9.663 1.00 1.06 C ATOM 996 CE1 TYR A 80 -2.874 8.967 12.335 1.00 1.28 C ATOM 997 CE2 TYR A 80 -3.353 10.551 10.611 1.00 1.34 C ATOM 998 CZ TYR A 80 -3.314 10.214 11.944 1.00 1.29 C ATOM 999 OH TYR A 80 -3.731 11.126 12.885 1.00 1.70 O ATOM 0 H TYR A 80 0.206 8.339 9.140 1.00 0.38 H new ATOM 0 HA TYR A 80 -0.993 6.108 10.322 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.884 7.906 8.042 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.917 6.699 8.781 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -2.121 7.080 11.687 1.00 0.96 H new ATOM 0 HD2 TYR A 80 -2.990 9.905 8.618 1.00 1.06 H new ATOM 0 HE1 TYR A 80 -2.847 8.704 13.382 1.00 1.28 H new ATOM 0 HE2 TYR A 80 -3.697 11.529 10.309 1.00 1.34 H new ATOM 0 HH TYR A 80 -4.007 11.954 12.439 1.00 1.70 H new ATOM 1009 N ALA A 81 -0.067 5.793 7.177 1.00 0.28 N ATOM 1010 CA ALA A 81 0.176 4.854 6.095 1.00 0.28 C ATOM 1011 C ALA A 81 0.964 3.651 6.588 1.00 0.29 C ATOM 1012 O ALA A 81 0.579 2.513 6.349 1.00 0.33 O ATOM 1013 CB ALA A 81 0.911 5.540 4.959 1.00 0.31 C ATOM 0 H ALA A 81 0.279 6.735 6.996 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.787 4.500 5.726 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.087 4.825 4.155 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.309 6.368 4.584 1.00 0.31 H new ATOM 0 HB3 ALA A 81 1.866 5.921 5.321 1.00 0.31 H new ATOM 1019 N LEU A 82 2.056 3.915 7.293 1.00 0.30 N ATOM 1020 CA LEU A 82 2.889 2.854 7.839 1.00 0.34 C ATOM 1021 C LEU A 82 2.064 1.977 8.781 1.00 0.32 C ATOM 1022 O LEU A 82 2.139 0.749 8.722 1.00 0.37 O ATOM 1023 CB LEU A 82 4.108 3.468 8.555 1.00 0.42 C ATOM 1024 CG LEU A 82 5.212 2.495 9.008 1.00 0.49 C ATOM 1025 CD1 LEU A 82 4.803 1.728 10.251 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.574 1.527 7.892 1.00 0.52 C ATOM 0 H LEU A 82 2.386 4.858 7.500 1.00 0.30 H new ATOM 0 HA LEU A 82 3.256 2.220 7.032 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.557 4.205 7.889 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.750 4.007 9.432 1.00 0.42 H new ATOM 0 HG LEU A 82 6.090 3.093 9.252 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.606 1.051 10.542 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.607 2.429 11.063 1.00 0.49 H new ATOM 0 HD13 LEU A 82 3.901 1.152 10.043 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.356 0.850 8.237 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.693 0.950 7.611 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.933 2.086 7.028 1.00 0.52 H new ATOM 1038 N ASN A 83 1.263 2.612 9.626 1.00 0.32 N ATOM 1039 CA ASN A 83 0.414 1.887 10.572 1.00 0.39 C ATOM 1040 C ASN A 83 -0.607 1.031 9.840 1.00 0.38 C ATOM 1041 O ASN A 83 -0.743 -0.165 10.106 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.319 2.857 11.506 1.00 0.47 C ATOM 1043 CG ASN A 83 0.605 3.605 12.451 1.00 1.25 C ATOM 1044 OD1 ASN A 83 1.674 2.956 12.888 1.00 1.86 O flip ATOM 1045 ND2 ASN A 83 0.343 4.757 12.803 1.00 2.09 N flip ATOM 0 H ASN A 83 1.181 3.627 9.679 1.00 0.32 H new ATOM 0 HA ASN A 83 1.064 1.242 11.164 1.00 0.39 H new ATOM 0 HB2 ASN A 83 -0.872 3.579 10.905 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -1.051 2.301 12.091 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -0.490 5.223 12.444 1.00 2.09 H new ATOM 0 HD22 ASN A 83 0.959 5.244 13.453 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.302 1.653 8.902 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.388 1.009 8.181 1.00 0.45 C ATOM 1054 C ASP A 84 -1.856 -0.097 7.269 1.00 0.42 C ATOM 1055 O ASP A 84 -2.458 -1.167 7.157 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.150 2.060 7.372 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.595 1.677 7.125 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -5.201 1.044 8.013 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.142 2.050 6.069 1.00 1.19 O ATOM 0 H ASP A 84 -1.130 2.618 8.619 1.00 0.39 H new ATOM 0 HA ASP A 84 -3.067 0.546 8.897 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -3.117 3.013 7.900 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -2.650 2.208 6.415 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.710 0.152 6.641 1.00 0.41 N ATOM 1065 CA ALA A 85 -0.061 -0.850 5.799 1.00 0.43 C ATOM 1066 C ALA A 85 0.446 -2.014 6.643 1.00 0.42 C ATOM 1067 O ALA A 85 0.417 -3.164 6.214 1.00 0.42 O ATOM 1068 CB ALA A 85 1.078 -0.233 5.005 1.00 0.48 C ATOM 0 H ALA A 85 -0.211 1.040 6.699 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.801 -1.231 5.095 1.00 0.43 H new ATOM 0 HB1 ALA A 85 1.546 -0.998 4.386 1.00 0.48 H new ATOM 0 HB2 ALA A 85 0.689 0.562 4.368 1.00 0.48 H new ATOM 0 HB3 ALA A 85 1.817 0.181 5.691 1.00 0.48 H new ATOM 1074 N THR A 86 0.912 -1.711 7.847 1.00 0.42 N ATOM 1075 CA THR A 86 1.310 -2.749 8.785 1.00 0.44 C ATOM 1076 C THR A 86 0.098 -3.575 9.192 1.00 0.43 C ATOM 1077 O THR A 86 0.183 -4.794 9.345 1.00 0.44 O ATOM 1078 CB THR A 86 1.980 -2.150 10.039 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.191 -1.484 9.662 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.286 -3.228 11.072 1.00 0.55 C ATOM 0 H THR A 86 1.023 -0.759 8.195 1.00 0.42 H new ATOM 0 HA THR A 86 2.038 -3.389 8.287 1.00 0.44 H new ATOM 0 HB THR A 86 1.289 -1.437 10.489 1.00 0.47 H new ATOM 0 HG1 THR A 86 2.979 -0.721 9.084 1.00 0.47 H new ATOM 0 HG21 THR A 86 2.758 -2.774 11.943 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.359 -3.716 11.374 1.00 0.55 H new ATOM 0 HG23 THR A 86 2.960 -3.967 10.638 1.00 0.55 H new ATOM 1088 N ARG A 87 -1.037 -2.904 9.336 1.00 0.43 N ATOM 1089 CA ARG A 87 -2.277 -3.578 9.670 1.00 0.43 C ATOM 1090 C ARG A 87 -2.645 -4.567 8.571 1.00 0.39 C ATOM 1091 O ARG A 87 -3.216 -5.621 8.841 1.00 0.38 O ATOM 1092 CB ARG A 87 -3.403 -2.572 9.882 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.608 -3.176 10.575 1.00 0.58 C ATOM 1094 CD ARG A 87 -4.208 -3.789 11.905 1.00 0.71 C ATOM 1095 NE ARG A 87 -3.711 -2.782 12.841 1.00 1.63 N ATOM 1096 CZ ARG A 87 -2.611 -2.927 13.579 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -1.927 -4.063 13.541 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -2.200 -1.938 14.362 1.00 3.28 N ATOM 0 H ARG A 87 -1.121 -1.893 9.226 1.00 0.43 H new ATOM 0 HA ARG A 87 -2.133 -4.124 10.603 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -3.030 -1.736 10.474 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.709 -2.168 8.917 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -5.365 -2.408 10.735 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -5.057 -3.938 9.938 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -5.066 -4.299 12.342 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.438 -4.543 11.741 1.00 0.71 H new ATOM 0 HE ARG A 87 -4.239 -1.914 12.935 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -2.243 -4.829 12.946 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -1.085 -4.171 14.107 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -2.726 -1.065 14.400 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -1.358 -2.051 14.926 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.309 -4.219 7.335 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.453 -5.146 6.222 1.00 0.38 C ATOM 1114 C ALA A 88 -1.553 -6.355 6.429 1.00 0.39 C ATOM 1115 O ALA A 88 -2.014 -7.480 6.346 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.135 -4.476 4.897 1.00 0.42 C ATOM 0 H ALA A 88 -1.936 -3.305 7.080 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.492 -5.473 6.190 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.252 -5.196 4.088 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.816 -3.639 4.740 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.108 -4.111 4.911 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.278 -6.107 6.744 1.00 0.42 N ATOM 1123 CA ILE A 89 0.681 -7.183 7.030 1.00 0.47 C ATOM 1124 C ILE A 89 0.249 -8.013 8.260 1.00 0.47 C ATOM 1125 O ILE A 89 0.864 -9.028 8.600 1.00 0.59 O ATOM 1126 CB ILE A 89 2.109 -6.625 7.269 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.515 -5.635 6.168 1.00 0.73 C ATOM 1128 CG2 ILE A 89 3.122 -7.761 7.330 1.00 0.66 C ATOM 1129 CD1 ILE A 89 2.628 -6.245 4.794 1.00 1.15 C ATOM 0 H ILE A 89 0.116 -5.169 6.808 1.00 0.42 H new ATOM 0 HA ILE A 89 0.695 -7.828 6.152 1.00 0.47 H new ATOM 0 HB ILE A 89 2.098 -6.097 8.222 1.00 0.60 H new ATOM 0 HG12 ILE A 89 1.784 -4.827 6.135 1.00 0.73 H new ATOM 0 HG13 ILE A 89 3.473 -5.187 6.434 1.00 0.73 H new ATOM 0 HG21 ILE A 89 4.118 -7.352 7.498 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.864 -8.435 8.147 1.00 0.66 H new ATOM 0 HG23 ILE A 89 3.110 -8.310 6.389 1.00 0.66 H new ATOM 0 HD11 ILE A 89 2.919 -5.477 4.078 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.381 -7.033 4.807 1.00 1.15 H new ATOM 0 HD13 ILE A 89 1.666 -6.667 4.503 1.00 1.15 H new ATOM 1141 N GLU A 90 -0.793 -7.569 8.944 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.383 -8.350 10.024 1.00 0.43 C ATOM 1143 C GLU A 90 -2.559 -9.189 9.514 1.00 0.40 C ATOM 1144 O GLU A 90 -2.822 -10.280 10.023 1.00 0.47 O ATOM 1145 CB GLU A 90 -1.857 -7.424 11.141 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.740 -6.611 11.774 1.00 0.50 C ATOM 1147 CD GLU A 90 0.169 -7.439 12.657 1.00 0.58 C ATOM 1148 OE1 GLU A 90 0.972 -8.224 12.106 1.00 0.73 O ATOM 1149 OE2 GLU A 90 0.083 -7.320 13.897 1.00 0.82 O ATOM 0 H GLU A 90 -1.249 -6.673 8.772 1.00 0.42 H new ATOM 0 HA GLU A 90 -0.620 -9.024 10.412 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.609 -6.743 10.742 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.344 -8.020 11.913 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.147 -6.145 10.987 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.175 -5.805 12.365 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.256 -8.670 8.512 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.407 -9.353 7.924 1.00 0.39 C ATOM 1158 C LEU A 91 -3.935 -10.366 6.891 1.00 0.43 C ATOM 1159 O LEU A 91 -4.493 -11.455 6.758 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.330 -8.338 7.256 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.772 -7.172 8.138 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.538 -6.161 7.315 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.628 -7.652 9.297 1.00 0.45 C ATOM 0 H LEU A 91 -3.043 -7.769 8.084 1.00 0.38 H new ATOM 0 HA LEU A 91 -4.952 -9.869 8.714 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -4.824 -7.936 6.378 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.219 -8.860 6.901 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.878 -6.702 8.548 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.849 -5.333 7.953 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.900 -5.784 6.516 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.418 -6.636 6.882 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.927 -6.799 9.906 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.517 -8.151 8.911 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.056 -8.351 9.907 1.00 0.45 H new ATOM 1175 N ASP A 92 -2.898 -9.979 6.172 1.00 0.46 N ATOM 1176 CA ASP A 92 -2.215 -10.837 5.248 1.00 0.53 C ATOM 1177 C ASP A 92 -0.830 -10.960 5.803 1.00 0.56 C ATOM 1178 O ASP A 92 -0.288 -9.992 6.315 1.00 0.82 O ATOM 1179 CB ASP A 92 -2.169 -10.252 3.817 1.00 0.66 C ATOM 1180 CG ASP A 92 -1.015 -9.276 3.591 1.00 1.77 C ATOM 1181 OD1 ASP A 92 0.146 -9.736 3.481 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -1.272 -8.060 3.495 1.00 2.34 O ATOM 0 H ASP A 92 -2.506 -9.039 6.222 1.00 0.46 H new ATOM 0 HA ASP A 92 -2.727 -11.794 5.152 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -2.087 -11.070 3.102 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -3.110 -9.742 3.612 1.00 0.66 H new ATOM 1187 N LYS A 93 -0.263 -12.120 5.778 1.00 0.48 N ATOM 1188 CA LYS A 93 1.045 -12.245 6.342 1.00 0.50 C ATOM 1189 C LYS A 93 2.073 -12.349 5.235 1.00 0.55 C ATOM 1190 O LYS A 93 3.199 -11.879 5.392 1.00 0.64 O ATOM 1191 CB LYS A 93 1.078 -13.415 7.306 1.00 0.55 C ATOM 1192 CG LYS A 93 2.302 -13.436 8.204 1.00 0.73 C ATOM 1193 CD LYS A 93 2.431 -12.140 8.994 1.00 1.22 C ATOM 1194 CE LYS A 93 1.290 -11.978 9.986 1.00 1.76 C ATOM 1195 NZ LYS A 93 1.335 -10.664 10.676 1.00 2.61 N ATOM 0 H LYS A 93 -0.666 -12.972 5.387 1.00 0.48 H new ATOM 0 HA LYS A 93 1.298 -11.356 6.920 1.00 0.50 H new ATOM 0 HB2 LYS A 93 0.183 -13.386 7.928 1.00 0.55 H new ATOM 0 HB3 LYS A 93 1.041 -14.344 6.737 1.00 0.55 H new ATOM 0 HG2 LYS A 93 2.236 -14.279 8.892 1.00 0.73 H new ATOM 0 HG3 LYS A 93 3.197 -13.587 7.600 1.00 0.73 H new ATOM 0 HD2 LYS A 93 3.382 -12.130 9.526 1.00 1.22 H new ATOM 0 HD3 LYS A 93 2.441 -11.293 8.308 1.00 1.22 H new ATOM 0 HE2 LYS A 93 0.339 -12.081 9.464 1.00 1.76 H new ATOM 0 HE3 LYS A 93 1.336 -12.778 10.725 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 0.581 -10.621 11.391 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 2.259 -10.547 11.139 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 1.197 -9.902 9.982 1.00 2.61 H new ATOM 1209 N LYS A 94 1.700 -12.971 4.122 1.00 0.55 N ATOM 1210 CA LYS A 94 2.480 -12.836 2.904 1.00 0.61 C ATOM 1211 C LYS A 94 1.639 -12.232 1.778 1.00 0.60 C ATOM 1212 O LYS A 94 0.821 -12.918 1.162 1.00 0.69 O ATOM 1213 CB LYS A 94 3.050 -14.187 2.462 1.00 0.76 C ATOM 1214 CG LYS A 94 4.071 -14.764 3.430 1.00 0.96 C ATOM 1215 CD LYS A 94 4.738 -16.012 2.871 1.00 1.17 C ATOM 1216 CE LYS A 94 5.540 -15.707 1.613 1.00 1.41 C ATOM 1217 NZ LYS A 94 6.273 -16.903 1.120 1.00 2.11 N ATOM 0 H LYS A 94 0.874 -13.565 4.040 1.00 0.55 H new ATOM 0 HA LYS A 94 3.309 -12.163 3.120 1.00 0.61 H new ATOM 0 HB2 LYS A 94 2.231 -14.897 2.345 1.00 0.76 H new ATOM 0 HB3 LYS A 94 3.515 -14.073 1.483 1.00 0.76 H new ATOM 0 HG2 LYS A 94 4.830 -14.013 3.648 1.00 0.96 H new ATOM 0 HG3 LYS A 94 3.581 -15.005 4.373 1.00 0.96 H new ATOM 0 HD2 LYS A 94 5.396 -16.442 3.626 1.00 1.17 H new ATOM 0 HD3 LYS A 94 3.978 -16.761 2.646 1.00 1.17 H new ATOM 0 HE2 LYS A 94 4.869 -15.345 0.834 1.00 1.41 H new ATOM 0 HE3 LYS A 94 6.250 -14.906 1.820 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 6.807 -16.654 0.263 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 6.932 -17.233 1.854 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 5.594 -17.659 0.898 1.00 2.11 H new ATOM 1231 N TYR A 95 1.843 -10.948 1.526 1.00 0.53 N ATOM 1232 CA TYR A 95 1.364 -10.297 0.315 1.00 0.58 C ATOM 1233 C TYR A 95 2.465 -9.384 -0.188 1.00 0.55 C ATOM 1234 O TYR A 95 2.884 -8.459 0.510 1.00 0.55 O ATOM 1235 CB TYR A 95 0.071 -9.512 0.563 1.00 0.63 C ATOM 1236 CG TYR A 95 -0.541 -8.898 -0.681 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -0.622 -9.614 -1.870 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -1.041 -7.603 -0.662 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -1.181 -9.056 -3.005 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -1.600 -7.037 -1.791 1.00 1.12 C ATOM 1241 CZ TYR A 95 -1.668 -7.767 -2.961 1.00 1.23 C ATOM 1242 OH TYR A 95 -2.225 -7.204 -4.091 1.00 1.46 O ATOM 0 H TYR A 95 2.347 -10.326 2.158 1.00 0.53 H new ATOM 0 HA TYR A 95 1.125 -11.052 -0.434 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -0.660 -10.177 1.022 1.00 0.63 H new ATOM 0 HB3 TYR A 95 0.275 -8.718 1.282 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -0.242 -10.624 -1.908 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -0.992 -7.028 0.251 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -1.236 -9.626 -3.920 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -1.982 -6.027 -1.759 1.00 1.12 H new ATOM 0 HH TYR A 95 -2.520 -6.291 -3.890 1.00 1.46 H new ATOM 1252 N ILE A 96 2.941 -9.651 -1.387 1.00 0.56 N ATOM 1253 CA ILE A 96 4.128 -8.984 -1.898 1.00 0.55 C ATOM 1254 C ILE A 96 3.907 -7.489 -2.069 1.00 0.49 C ATOM 1255 O ILE A 96 4.715 -6.676 -1.612 1.00 0.45 O ATOM 1256 CB ILE A 96 4.574 -9.615 -3.229 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.822 -11.109 -3.031 1.00 0.87 C ATOM 1258 CG2 ILE A 96 5.824 -8.934 -3.754 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.755 -11.414 -1.880 1.00 0.83 C ATOM 0 H ILE A 96 2.526 -10.326 -2.029 1.00 0.56 H new ATOM 0 HA ILE A 96 4.919 -9.119 -1.161 1.00 0.55 H new ATOM 0 HB ILE A 96 3.782 -9.479 -3.966 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.869 -11.609 -2.859 1.00 0.87 H new ATOM 0 HG13 ILE A 96 5.239 -11.525 -3.948 1.00 0.87 H new ATOM 0 HG21 ILE A 96 6.122 -9.396 -4.695 1.00 0.59 H new ATOM 0 HG22 ILE A 96 5.620 -7.876 -3.917 1.00 0.59 H new ATOM 0 HG23 ILE A 96 6.629 -9.041 -3.027 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.888 -12.493 -1.795 1.00 0.83 H new ATOM 0 HD12 ILE A 96 6.721 -10.942 -2.060 1.00 0.83 H new ATOM 0 HD13 ILE A 96 5.329 -11.027 -0.954 1.00 0.83 H new ATOM 1271 N LYS A 97 2.808 -7.129 -2.710 1.00 0.54 N ATOM 1272 CA LYS A 97 2.463 -5.729 -2.898 1.00 0.55 C ATOM 1273 C LYS A 97 2.141 -5.073 -1.554 1.00 0.50 C ATOM 1274 O LYS A 97 2.253 -3.856 -1.402 1.00 0.51 O ATOM 1275 CB LYS A 97 1.268 -5.607 -3.841 1.00 0.71 C ATOM 1276 CG LYS A 97 1.091 -4.218 -4.426 1.00 1.28 C ATOM 1277 CD LYS A 97 -0.219 -4.108 -5.179 1.00 1.65 C ATOM 1278 CE LYS A 97 -0.351 -2.776 -5.893 1.00 1.73 C ATOM 1279 NZ LYS A 97 -1.744 -2.538 -6.339 1.00 1.59 N ATOM 0 H LYS A 97 2.139 -7.787 -3.109 1.00 0.54 H new ATOM 0 HA LYS A 97 3.317 -5.216 -3.339 1.00 0.55 H new ATOM 0 HB2 LYS A 97 1.385 -6.322 -4.655 1.00 0.71 H new ATOM 0 HB3 LYS A 97 0.362 -5.883 -3.302 1.00 0.71 H new ATOM 0 HG2 LYS A 97 1.118 -3.477 -3.627 1.00 1.28 H new ATOM 0 HG3 LYS A 97 1.920 -3.994 -5.097 1.00 1.28 H new ATOM 0 HD2 LYS A 97 -0.289 -4.918 -5.905 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -1.049 -4.231 -4.483 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -0.038 -1.972 -5.227 1.00 1.73 H new ATOM 0 HE3 LYS A 97 0.317 -2.755 -6.754 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -1.986 -1.536 -6.201 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -1.832 -2.780 -7.347 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -2.393 -3.131 -5.783 1.00 1.59 H new ATOM 1293 N GLY A 98 1.770 -5.898 -0.578 1.00 0.51 N ATOM 1294 CA GLY A 98 1.454 -5.398 0.746 1.00 0.52 C ATOM 1295 C GLY A 98 2.702 -4.936 1.462 1.00 0.43 C ATOM 1296 O GLY A 98 2.767 -3.807 1.952 1.00 0.48 O ATOM 0 H GLY A 98 1.683 -6.909 -0.683 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.748 -4.571 0.668 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.965 -6.180 1.327 1.00 0.52 H new ATOM 1300 N TYR A 99 3.699 -5.819 1.512 1.00 0.35 N ATOM 1301 CA TYR A 99 5.021 -5.455 2.011 1.00 0.29 C ATOM 1302 C TYR A 99 5.512 -4.192 1.308 1.00 0.31 C ATOM 1303 O TYR A 99 6.008 -3.265 1.939 1.00 0.32 O ATOM 1304 CB TYR A 99 6.055 -6.547 1.725 1.00 0.30 C ATOM 1305 CG TYR A 99 5.796 -7.914 2.322 1.00 0.38 C ATOM 1306 CD1 TYR A 99 5.378 -8.086 3.638 1.00 0.64 C ATOM 1307 CD2 TYR A 99 6.020 -9.050 1.554 1.00 0.98 C ATOM 1308 CE1 TYR A 99 5.188 -9.350 4.162 1.00 0.71 C ATOM 1309 CE2 TYR A 99 5.840 -10.312 2.074 1.00 1.11 C ATOM 1310 CZ TYR A 99 5.426 -10.457 3.375 1.00 0.72 C ATOM 1311 OH TYR A 99 5.263 -11.714 3.898 1.00 0.92 O ATOM 0 H TYR A 99 3.615 -6.790 1.213 1.00 0.35 H new ATOM 0 HA TYR A 99 4.922 -5.308 3.086 1.00 0.29 H new ATOM 0 HB2 TYR A 99 6.138 -6.660 0.644 1.00 0.30 H new ATOM 0 HB3 TYR A 99 7.023 -6.199 2.084 1.00 0.30 H new ATOM 0 HD1 TYR A 99 5.200 -7.220 4.258 1.00 0.64 H new ATOM 0 HD2 TYR A 99 6.342 -8.941 0.529 1.00 0.98 H new ATOM 0 HE1 TYR A 99 4.855 -9.470 5.182 1.00 0.71 H new ATOM 0 HE2 TYR A 99 6.023 -11.183 1.462 1.00 1.11 H new ATOM 0 HH TYR A 99 4.731 -11.660 4.719 1.00 0.92 H new ATOM 1321 N TYR A 100 5.363 -4.193 -0.017 1.00 0.34 N ATOM 1322 CA TYR A 100 5.839 -3.112 -0.878 1.00 0.37 C ATOM 1323 C TYR A 100 5.223 -1.771 -0.465 1.00 0.39 C ATOM 1324 O TYR A 100 5.920 -0.761 -0.389 1.00 0.42 O ATOM 1325 CB TYR A 100 5.498 -3.449 -2.340 1.00 0.42 C ATOM 1326 CG TYR A 100 6.175 -2.581 -3.384 1.00 0.43 C ATOM 1327 CD1 TYR A 100 5.684 -1.318 -3.684 1.00 0.51 C ATOM 1328 CD2 TYR A 100 7.290 -3.040 -4.088 1.00 0.46 C ATOM 1329 CE1 TYR A 100 6.281 -0.533 -4.648 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.889 -2.258 -5.063 1.00 0.55 C ATOM 1331 CZ TYR A 100 7.376 -1.008 -5.333 1.00 0.60 C ATOM 1332 OH TYR A 100 7.952 -0.236 -6.303 1.00 0.73 O ATOM 0 H TYR A 100 4.905 -4.950 -0.526 1.00 0.34 H new ATOM 0 HA TYR A 100 6.920 -3.017 -0.774 1.00 0.37 H new ATOM 0 HB2 TYR A 100 5.766 -4.489 -2.527 1.00 0.42 H new ATOM 0 HB3 TYR A 100 4.419 -3.370 -2.471 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.821 -0.944 -3.154 1.00 0.51 H new ATOM 0 HD2 TYR A 100 7.691 -4.019 -3.870 1.00 0.46 H new ATOM 0 HE1 TYR A 100 5.891 0.450 -4.864 1.00 0.60 H new ATOM 0 HE2 TYR A 100 8.748 -2.624 -5.605 1.00 0.55 H new ATOM 0 HH TYR A 100 7.539 -0.437 -7.169 1.00 0.73 H new ATOM 1342 N ARG A 101 3.921 -1.768 -0.183 1.00 0.41 N ATOM 1343 CA ARG A 101 3.245 -0.555 0.274 1.00 0.46 C ATOM 1344 C ARG A 101 3.792 -0.105 1.624 1.00 0.43 C ATOM 1345 O ARG A 101 4.057 1.082 1.839 1.00 0.46 O ATOM 1346 CB ARG A 101 1.733 -0.772 0.382 1.00 0.53 C ATOM 1347 CG ARG A 101 1.015 -0.814 -0.957 1.00 0.82 C ATOM 1348 CD ARG A 101 1.250 0.463 -1.747 1.00 1.06 C ATOM 1349 NE ARG A 101 0.350 0.577 -2.891 1.00 1.18 N ATOM 1350 CZ ARG A 101 0.669 1.149 -4.048 1.00 1.58 C ATOM 1351 NH1 ARG A 101 1.902 1.595 -4.268 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -0.254 1.279 -4.985 1.00 1.89 N ATOM 0 H ARG A 101 3.317 -2.586 -0.262 1.00 0.41 H new ATOM 0 HA ARG A 101 3.436 0.222 -0.466 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.548 -1.707 0.911 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.304 0.027 0.987 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.364 -1.671 -1.533 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.054 -0.953 -0.795 1.00 0.82 H new ATOM 0 HD2 ARG A 101 1.113 1.324 -1.092 1.00 1.06 H new ATOM 0 HD3 ARG A 101 2.283 0.488 -2.095 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.589 0.191 -2.796 1.00 1.18 H new ATOM 0 HH11 ARG A 101 2.615 1.500 -3.545 1.00 2.34 H new ATOM 0 HH12 ARG A 101 2.135 2.032 -5.160 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -1.202 0.942 -4.817 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -0.018 1.717 -5.876 1.00 1.89 H new ATOM 1366 N ARG A 102 3.973 -1.064 2.526 1.00 0.41 N ATOM 1367 CA ARG A 102 4.506 -0.781 3.853 1.00 0.43 C ATOM 1368 C ARG A 102 5.923 -0.227 3.740 1.00 0.37 C ATOM 1369 O ARG A 102 6.287 0.739 4.415 1.00 0.38 O ATOM 1370 CB ARG A 102 4.498 -2.054 4.704 1.00 0.52 C ATOM 1371 CG ARG A 102 4.740 -1.806 6.183 1.00 0.87 C ATOM 1372 CD ARG A 102 4.619 -3.089 6.987 1.00 1.12 C ATOM 1373 NE ARG A 102 5.777 -3.964 6.829 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.006 -5.033 7.594 1.00 2.58 C ATOM 1375 NH1 ARG A 102 5.168 -5.342 8.580 1.00 2.78 N ATOM 1376 NH2 ARG A 102 7.076 -5.787 7.377 1.00 3.57 N ATOM 0 H ARG A 102 3.757 -2.047 2.361 1.00 0.41 H new ATOM 0 HA ARG A 102 3.877 -0.034 4.336 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.538 -2.555 4.582 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.263 -2.735 4.330 1.00 0.52 H new ATOM 0 HG2 ARG A 102 5.733 -1.379 6.324 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.022 -1.074 6.553 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.497 -2.842 8.042 1.00 1.12 H new ATOM 0 HD3 ARG A 102 3.720 -3.623 6.678 1.00 1.12 H new ATOM 0 HE ARG A 102 6.448 -3.746 6.093 1.00 1.87 H new ATOM 0 HH11 ARG A 102 4.348 -4.761 8.753 1.00 2.78 H new ATOM 0 HH12 ARG A 102 5.346 -6.160 9.163 1.00 2.78 H new ATOM 0 HH21 ARG A 102 7.723 -5.549 6.625 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.251 -6.604 7.962 1.00 3.57 H new ATOM 1390 N ALA A 103 6.706 -0.836 2.858 1.00 0.34 N ATOM 1391 CA ALA A 103 8.067 -0.399 2.585 1.00 0.32 C ATOM 1392 C ALA A 103 8.092 1.058 2.137 1.00 0.33 C ATOM 1393 O ALA A 103 9.008 1.808 2.478 1.00 0.35 O ATOM 1394 CB ALA A 103 8.692 -1.275 1.515 1.00 0.33 C ATOM 0 H ALA A 103 6.414 -1.647 2.312 1.00 0.34 H new ATOM 0 HA ALA A 103 8.643 -0.488 3.506 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.710 -0.939 1.319 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.711 -2.310 1.857 1.00 0.33 H new ATOM 0 HB3 ALA A 103 8.104 -1.206 0.600 1.00 0.33 H new ATOM 1400 N ALA A 104 7.066 1.457 1.394 1.00 0.33 N ATOM 1401 CA ALA A 104 6.983 2.806 0.862 1.00 0.35 C ATOM 1402 C ALA A 104 6.756 3.803 1.985 1.00 0.35 C ATOM 1403 O ALA A 104 7.275 4.919 1.946 1.00 0.38 O ATOM 1404 CB ALA A 104 5.873 2.907 -0.176 1.00 0.39 C ATOM 0 H ALA A 104 6.277 0.859 1.147 1.00 0.33 H new ATOM 0 HA ALA A 104 7.928 3.043 0.374 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.827 3.925 -0.562 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.077 2.217 -0.995 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.919 2.651 0.285 1.00 0.39 H new ATOM 1410 N SER A 105 5.989 3.396 2.989 1.00 0.34 N ATOM 1411 CA SER A 105 5.750 4.250 4.139 1.00 0.36 C ATOM 1412 C SER A 105 7.032 4.394 4.962 1.00 0.34 C ATOM 1413 O SER A 105 7.368 5.488 5.407 1.00 0.33 O ATOM 1414 CB SER A 105 4.616 3.691 4.992 1.00 0.40 C ATOM 1415 OG SER A 105 3.577 3.173 4.177 1.00 0.64 O ATOM 0 H SER A 105 5.527 2.488 3.028 1.00 0.34 H new ATOM 0 HA SER A 105 5.453 5.238 3.788 1.00 0.36 H new ATOM 0 HB2 SER A 105 4.999 2.905 5.643 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.221 4.475 5.637 1.00 0.40 H new ATOM 0 HG SER A 105 2.862 2.818 4.745 1.00 0.64 H new ATOM 1421 N ASN A 106 7.755 3.284 5.139 1.00 0.36 N ATOM 1422 CA ASN A 106 9.051 3.306 5.825 1.00 0.37 C ATOM 1423 C ASN A 106 10.021 4.230 5.099 1.00 0.36 C ATOM 1424 O ASN A 106 10.699 5.053 5.720 1.00 0.37 O ATOM 1425 CB ASN A 106 9.668 1.900 5.911 1.00 0.40 C ATOM 1426 CG ASN A 106 8.968 0.981 6.897 1.00 0.43 C ATOM 1427 OD1 ASN A 106 9.221 1.038 8.098 1.00 1.09 O ATOM 1428 ND2 ASN A 106 8.117 0.102 6.400 1.00 1.32 N ATOM 0 H ASN A 106 7.466 2.360 4.817 1.00 0.36 H new ATOM 0 HA ASN A 106 8.876 3.673 6.836 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.644 1.442 4.922 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.716 1.991 6.195 1.00 0.40 H new ATOM 0 HD21 ASN A 106 7.646 -0.558 7.019 1.00 1.32 H new ATOM 0 HD22 ASN A 106 7.931 0.083 5.397 1.00 1.32 H new ATOM 1435 N MET A 107 10.067 4.092 3.778 1.00 0.38 N ATOM 1436 CA MET A 107 10.940 4.902 2.937 1.00 0.40 C ATOM 1437 C MET A 107 10.580 6.376 3.076 1.00 0.40 C ATOM 1438 O MET A 107 11.450 7.230 3.245 1.00 0.45 O ATOM 1439 CB MET A 107 10.803 4.463 1.475 1.00 0.46 C ATOM 1440 CG MET A 107 12.126 4.315 0.739 1.00 0.44 C ATOM 1441 SD MET A 107 13.033 5.865 0.582 1.00 1.26 S ATOM 1442 CE MET A 107 14.497 5.284 -0.272 1.00 0.70 C ATOM 0 H MET A 107 9.502 3.418 3.262 1.00 0.38 H new ATOM 0 HA MET A 107 11.973 4.762 3.256 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.274 3.511 1.442 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.186 5.189 0.946 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.747 3.590 1.265 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.937 3.910 -0.255 1.00 0.44 H new ATOM 0 HE1 MET A 107 14.933 6.102 -0.845 1.00 0.70 H new ATOM 0 HE2 MET A 107 15.224 4.924 0.456 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.226 4.472 -0.947 1.00 0.70 H new ATOM 1452 N ALA A 108 9.283 6.657 3.028 1.00 0.36 N ATOM 1453 CA ALA A 108 8.778 8.016 3.148 1.00 0.38 C ATOM 1454 C ALA A 108 9.103 8.614 4.514 1.00 0.39 C ATOM 1455 O ALA A 108 9.460 9.785 4.616 1.00 0.43 O ATOM 1456 CB ALA A 108 7.276 8.034 2.901 1.00 0.38 C ATOM 0 H ALA A 108 8.556 5.952 2.905 1.00 0.36 H new ATOM 0 HA ALA A 108 9.272 8.630 2.395 1.00 0.38 H new ATOM 0 HB1 ALA A 108 6.904 9.055 2.992 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.068 7.660 1.898 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.779 7.400 3.635 1.00 0.38 H new ATOM 1462 N LEU A 109 8.981 7.806 5.563 1.00 0.38 N ATOM 1463 CA LEU A 109 9.258 8.268 6.920 1.00 0.40 C ATOM 1464 C LEU A 109 10.729 8.629 7.087 1.00 0.43 C ATOM 1465 O LEU A 109 11.062 9.656 7.681 1.00 0.65 O ATOM 1466 CB LEU A 109 8.861 7.202 7.945 1.00 0.38 C ATOM 1467 CG LEU A 109 7.361 6.922 8.048 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.096 5.813 9.051 1.00 0.75 C ATOM 1469 CD2 LEU A 109 6.605 8.186 8.436 1.00 0.82 C ATOM 0 H LEU A 109 8.693 6.830 5.500 1.00 0.38 H new ATOM 0 HA LEU A 109 8.662 9.164 7.094 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.371 6.272 7.694 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.225 7.511 8.925 1.00 0.38 H new ATOM 0 HG LEU A 109 7.004 6.596 7.071 1.00 0.48 H new ATOM 0 HD11 LEU A 109 6.024 5.626 9.112 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.605 4.904 8.731 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.469 6.112 10.031 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.540 7.966 8.504 1.00 0.82 H new ATOM 0 HD22 LEU A 109 6.964 8.543 9.401 1.00 0.82 H new ATOM 0 HD23 LEU A 109 6.769 8.955 7.681 1.00 0.82 H new ATOM 1481 N GLY A 110 11.604 7.791 6.550 1.00 0.39 N ATOM 1482 CA GLY A 110 13.025 8.041 6.665 1.00 0.41 C ATOM 1483 C GLY A 110 13.782 6.834 7.173 1.00 0.39 C ATOM 1484 O GLY A 110 15.012 6.845 7.243 1.00 0.47 O ATOM 0 H GLY A 110 11.356 6.945 6.038 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.420 8.332 5.692 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.190 8.881 7.340 1.00 0.41 H new ATOM 1488 N LYS A 111 13.052 5.784 7.523 1.00 0.36 N ATOM 1489 CA LYS A 111 13.673 4.559 7.998 1.00 0.38 C ATOM 1490 C LYS A 111 13.970 3.638 6.818 1.00 0.30 C ATOM 1491 O LYS A 111 13.226 2.698 6.518 1.00 0.32 O ATOM 1492 CB LYS A 111 12.805 3.883 9.071 1.00 0.53 C ATOM 1493 CG LYS A 111 11.332 3.760 8.704 1.00 0.74 C ATOM 1494 CD LYS A 111 10.493 3.333 9.899 1.00 0.54 C ATOM 1495 CE LYS A 111 11.005 2.038 10.509 1.00 1.22 C ATOM 1496 NZ LYS A 111 10.171 1.581 11.649 1.00 1.73 N ATOM 0 H LYS A 111 12.033 5.757 7.487 1.00 0.36 H new ATOM 0 HA LYS A 111 14.623 4.798 8.477 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.202 2.887 9.268 1.00 0.53 H new ATOM 0 HB3 LYS A 111 12.890 4.449 9.999 1.00 0.53 H new ATOM 0 HG2 LYS A 111 10.969 4.716 8.326 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.216 3.034 7.899 1.00 0.74 H new ATOM 0 HD2 LYS A 111 10.505 4.120 10.653 1.00 0.54 H new ATOM 0 HD3 LYS A 111 9.456 3.205 9.589 1.00 0.54 H new ATOM 0 HE2 LYS A 111 11.026 1.262 9.744 1.00 1.22 H new ATOM 0 HE3 LYS A 111 12.032 2.180 10.847 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 10.560 0.695 12.031 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 10.171 2.308 12.393 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 9.197 1.419 11.323 1.00 1.73 H new ATOM 1510 N PHE A 112 15.070 3.944 6.142 1.00 0.30 N ATOM 1511 CA PHE A 112 15.416 3.309 4.880 1.00 0.29 C ATOM 1512 C PHE A 112 15.803 1.846 5.050 1.00 0.30 C ATOM 1513 O PHE A 112 15.560 1.040 4.159 1.00 0.34 O ATOM 1514 CB PHE A 112 16.554 4.071 4.204 1.00 0.35 C ATOM 1515 CG PHE A 112 16.280 5.540 4.059 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.229 5.991 3.277 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.068 6.470 4.717 1.00 0.48 C ATOM 1518 CE1 PHE A 112 14.972 7.342 3.152 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.814 7.821 4.595 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.766 8.257 3.812 1.00 0.53 C ATOM 0 H PHE A 112 15.747 4.640 6.455 1.00 0.30 H new ATOM 0 HA PHE A 112 14.525 3.338 4.252 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.468 3.934 4.782 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.734 3.643 3.218 1.00 0.35 H new ATOM 0 HD1 PHE A 112 14.604 5.278 2.760 1.00 0.41 H new ATOM 0 HD2 PHE A 112 17.890 6.134 5.332 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.151 7.682 2.539 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.436 8.536 5.113 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.567 9.314 3.715 1.00 0.53 H new ATOM 1530 N ARG A 113 16.393 1.493 6.185 1.00 0.34 N ATOM 1531 CA ARG A 113 16.821 0.114 6.397 1.00 0.38 C ATOM 1532 C ARG A 113 15.624 -0.772 6.687 1.00 0.34 C ATOM 1533 O ARG A 113 15.625 -1.958 6.366 1.00 0.34 O ATOM 1534 CB ARG A 113 17.846 0.002 7.526 1.00 0.49 C ATOM 1535 CG ARG A 113 19.155 0.713 7.222 1.00 1.21 C ATOM 1536 CD ARG A 113 20.290 0.208 8.100 1.00 1.58 C ATOM 1537 NE ARG A 113 20.115 0.566 9.506 1.00 2.42 N ATOM 1538 CZ ARG A 113 20.501 -0.203 10.522 1.00 3.14 C ATOM 1539 NH1 ARG A 113 20.977 -1.424 10.295 1.00 3.25 N ATOM 1540 NH2 ARG A 113 20.386 0.243 11.765 1.00 4.15 N ATOM 0 H ARG A 113 16.584 2.128 6.960 1.00 0.34 H new ATOM 0 HA ARG A 113 17.303 -0.223 5.479 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.418 0.417 8.438 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.049 -1.051 7.720 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.414 0.566 6.173 1.00 1.21 H new ATOM 0 HG3 ARG A 113 19.029 1.785 7.372 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.359 -0.876 8.011 1.00 1.58 H new ATOM 0 HD3 ARG A 113 21.233 0.618 7.739 1.00 1.58 H new ATOM 0 HE ARG A 113 19.671 1.458 9.722 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.047 -1.774 9.340 1.00 3.25 H new ATOM 0 HH12 ARG A 113 21.272 -2.010 11.076 1.00 3.25 H new ATOM 0 HH21 ARG A 113 20.003 1.172 11.940 1.00 4.15 H new ATOM 0 HH22 ARG A 113 20.680 -0.343 12.546 1.00 4.15 H new ATOM 1554 N ALA A 114 14.596 -0.189 7.284 1.00 0.34 N ATOM 1555 CA ALA A 114 13.367 -0.917 7.530 1.00 0.34 C ATOM 1556 C ALA A 114 12.604 -1.094 6.225 1.00 0.28 C ATOM 1557 O ALA A 114 12.048 -2.159 5.954 1.00 0.30 O ATOM 1558 CB ALA A 114 12.514 -0.200 8.558 1.00 0.40 C ATOM 0 H ALA A 114 14.590 0.779 7.604 1.00 0.34 H new ATOM 0 HA ALA A 114 13.614 -1.900 7.930 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.597 -0.764 8.727 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.066 -0.116 9.494 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.265 0.796 8.193 1.00 0.40 H new ATOM 1564 N ALA A 115 12.604 -0.039 5.412 1.00 0.26 N ATOM 1565 CA ALA A 115 12.017 -0.094 4.080 1.00 0.23 C ATOM 1566 C ALA A 115 12.764 -1.108 3.235 1.00 0.23 C ATOM 1567 O ALA A 115 12.171 -1.846 2.448 1.00 0.25 O ATOM 1568 CB ALA A 115 12.066 1.275 3.419 1.00 0.23 C ATOM 0 H ALA A 115 13.006 0.866 5.656 1.00 0.26 H new ATOM 0 HA ALA A 115 10.974 -0.397 4.167 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.623 1.215 2.425 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.507 1.991 4.022 1.00 0.23 H new ATOM 0 HB3 ALA A 115 13.102 1.602 3.335 1.00 0.23 H new ATOM 1574 N LEU A 116 14.075 -1.141 3.427 1.00 0.24 N ATOM 1575 CA LEU A 116 14.933 -2.065 2.720 1.00 0.28 C ATOM 1576 C LEU A 116 14.564 -3.500 3.047 1.00 0.29 C ATOM 1577 O LEU A 116 14.601 -4.353 2.181 1.00 0.30 O ATOM 1578 CB LEU A 116 16.396 -1.821 3.076 1.00 0.32 C ATOM 1579 CG LEU A 116 17.393 -2.590 2.217 1.00 0.40 C ATOM 1580 CD1 LEU A 116 17.304 -2.127 0.776 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.803 -2.419 2.748 1.00 0.49 C ATOM 0 H LEU A 116 14.567 -0.528 4.077 1.00 0.24 H new ATOM 0 HA LEU A 116 14.794 -1.898 1.652 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.605 -0.755 2.987 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.552 -2.090 4.121 1.00 0.32 H new ATOM 0 HG LEU A 116 17.144 -3.650 2.259 1.00 0.40 H new ATOM 0 HD11 LEU A 116 18.020 -2.682 0.170 1.00 0.47 H new ATOM 0 HD12 LEU A 116 16.297 -2.303 0.399 1.00 0.47 H new ATOM 0 HD13 LEU A 116 17.531 -1.062 0.721 1.00 0.47 H new ATOM 0 HD21 LEU A 116 19.498 -2.976 2.120 1.00 0.49 H new ATOM 0 HD22 LEU A 116 19.070 -1.362 2.737 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.855 -2.795 3.770 1.00 0.49 H new ATOM 1593 N ARG A 117 14.194 -3.756 4.297 1.00 0.34 N ATOM 1594 CA ARG A 117 13.827 -5.103 4.721 1.00 0.40 C ATOM 1595 C ARG A 117 12.538 -5.541 4.047 1.00 0.34 C ATOM 1596 O ARG A 117 12.398 -6.697 3.637 1.00 0.35 O ATOM 1597 CB ARG A 117 13.675 -5.177 6.242 1.00 0.57 C ATOM 1598 CG ARG A 117 14.984 -4.998 6.993 1.00 0.70 C ATOM 1599 CD ARG A 117 14.792 -5.129 8.493 1.00 1.01 C ATOM 1600 NE ARG A 117 16.065 -5.079 9.211 1.00 1.90 N ATOM 1601 CZ ARG A 117 16.173 -5.096 10.540 1.00 2.55 C ATOM 1602 NH1 ARG A 117 15.086 -5.174 11.298 1.00 2.45 N ATOM 1603 NH2 ARG A 117 17.372 -5.049 11.112 1.00 3.56 N ATOM 0 H ARG A 117 14.140 -3.051 5.033 1.00 0.34 H new ATOM 0 HA ARG A 117 14.629 -5.778 4.422 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.972 -4.410 6.566 1.00 0.57 H new ATOM 0 HB3 ARG A 117 13.241 -6.141 6.509 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.704 -5.742 6.652 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.404 -4.019 6.764 1.00 0.70 H new ATOM 0 HD2 ARG A 117 14.143 -4.328 8.848 1.00 1.01 H new ATOM 0 HD3 ARG A 117 14.287 -6.069 8.714 1.00 1.01 H new ATOM 0 HE ARG A 117 16.923 -5.028 8.662 1.00 1.90 H new ATOM 0 HH11 ARG A 117 14.164 -5.221 10.864 1.00 2.45 H new ATOM 0 HH12 ARG A 117 15.173 -5.187 12.314 1.00 2.45 H new ATOM 0 HH21 ARG A 117 18.211 -5.000 10.534 1.00 3.56 H new ATOM 0 HH22 ARG A 117 17.453 -5.062 12.129 1.00 3.56 H new ATOM 1617 N ASP A 118 11.603 -4.611 3.911 1.00 0.33 N ATOM 1618 CA ASP A 118 10.335 -4.907 3.267 1.00 0.33 C ATOM 1619 C ASP A 118 10.532 -5.099 1.770 1.00 0.28 C ATOM 1620 O ASP A 118 10.083 -6.095 1.204 1.00 0.31 O ATOM 1621 CB ASP A 118 9.301 -3.815 3.542 1.00 0.40 C ATOM 1622 CG ASP A 118 8.599 -4.002 4.871 1.00 0.63 C ATOM 1623 OD1 ASP A 118 8.668 -5.117 5.429 1.00 0.77 O ATOM 1624 OD2 ASP A 118 7.958 -3.046 5.360 1.00 1.06 O ATOM 0 H ASP A 118 11.700 -3.649 4.237 1.00 0.33 H new ATOM 0 HA ASP A 118 9.953 -5.836 3.690 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.792 -2.842 3.528 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.561 -3.810 2.742 1.00 0.40 H new ATOM 1629 N TYR A 119 11.234 -4.162 1.139 1.00 0.24 N ATOM 1630 CA TYR A 119 11.544 -4.269 -0.284 1.00 0.26 C ATOM 1631 C TYR A 119 12.411 -5.491 -0.564 1.00 0.28 C ATOM 1632 O TYR A 119 12.261 -6.145 -1.596 1.00 0.33 O ATOM 1633 CB TYR A 119 12.250 -3.009 -0.787 1.00 0.28 C ATOM 1634 CG TYR A 119 11.326 -1.837 -1.027 1.00 0.33 C ATOM 1635 CD1 TYR A 119 10.197 -1.971 -1.825 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.585 -0.596 -0.463 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.353 -0.900 -2.052 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.747 0.480 -0.686 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.633 0.323 -1.483 1.00 0.50 C ATOM 1640 OH TYR A 119 8.795 1.391 -1.709 1.00 0.60 O ATOM 0 H TYR A 119 11.598 -3.322 1.589 1.00 0.24 H new ATOM 0 HA TYR A 119 10.600 -4.379 -0.817 1.00 0.26 H new ATOM 0 HB2 TYR A 119 13.009 -2.717 -0.061 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.770 -3.243 -1.716 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.975 -2.927 -2.275 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.457 -0.469 0.161 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.478 -1.022 -2.673 1.00 0.46 H new ATOM 0 HE2 TYR A 119 10.964 1.439 -0.238 1.00 0.47 H new ATOM 0 HH TYR A 119 9.134 2.179 -1.235 1.00 0.60 H new ATOM 1650 N GLU A 120 13.315 -5.792 0.361 1.00 0.28 N ATOM 1651 CA GLU A 120 14.175 -6.960 0.249 1.00 0.34 C ATOM 1652 C GLU A 120 13.327 -8.210 0.191 1.00 0.37 C ATOM 1653 O GLU A 120 13.552 -9.087 -0.628 1.00 0.43 O ATOM 1654 CB GLU A 120 15.121 -7.058 1.443 1.00 0.36 C ATOM 1655 CG GLU A 120 16.358 -7.895 1.168 1.00 0.42 C ATOM 1656 CD GLU A 120 17.155 -8.195 2.419 1.00 0.48 C ATOM 1657 OE1 GLU A 120 16.762 -9.111 3.169 1.00 0.61 O ATOM 1658 OE2 GLU A 120 18.182 -7.526 2.652 1.00 0.58 O ATOM 0 H GLU A 120 13.471 -5.237 1.203 1.00 0.28 H new ATOM 0 HA GLU A 120 14.766 -6.862 -0.662 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.429 -6.054 1.736 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.583 -7.486 2.289 1.00 0.36 H new ATOM 0 HG2 GLU A 120 16.059 -8.833 0.700 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.994 -7.371 0.455 1.00 0.42 H new ATOM 1665 N THR A 121 12.341 -8.277 1.066 1.00 0.36 N ATOM 1666 CA THR A 121 11.441 -9.408 1.097 1.00 0.40 C ATOM 1667 C THR A 121 10.690 -9.522 -0.228 1.00 0.40 C ATOM 1668 O THR A 121 10.536 -10.615 -0.770 1.00 0.45 O ATOM 1669 CB THR A 121 10.445 -9.287 2.261 1.00 0.41 C ATOM 1670 OG1 THR A 121 11.153 -9.075 3.491 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.596 -10.545 2.372 1.00 0.47 C ATOM 0 H THR A 121 12.145 -7.560 1.764 1.00 0.36 H new ATOM 0 HA THR A 121 12.034 -10.310 1.248 1.00 0.40 H new ATOM 0 HB THR A 121 9.790 -8.437 2.067 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.446 -8.141 3.543 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.897 -10.440 3.202 1.00 0.47 H new ATOM 0 HG22 THR A 121 9.040 -10.692 1.446 1.00 0.47 H new ATOM 0 HG23 THR A 121 10.242 -11.405 2.548 1.00 0.47 H new ATOM 1679 N VAL A 122 10.259 -8.380 -0.760 1.00 0.37 N ATOM 1680 CA VAL A 122 9.589 -8.337 -2.054 1.00 0.39 C ATOM 1681 C VAL A 122 10.484 -8.924 -3.144 1.00 0.44 C ATOM 1682 O VAL A 122 10.066 -9.804 -3.903 1.00 0.50 O ATOM 1683 CB VAL A 122 9.198 -6.889 -2.440 1.00 0.38 C ATOM 1684 CG1 VAL A 122 8.507 -6.850 -3.792 1.00 0.43 C ATOM 1685 CG2 VAL A 122 8.308 -6.267 -1.374 1.00 0.36 C ATOM 0 H VAL A 122 10.363 -7.470 -0.311 1.00 0.37 H new ATOM 0 HA VAL A 122 8.681 -8.934 -1.968 1.00 0.39 H new ATOM 0 HB VAL A 122 10.116 -6.305 -2.510 1.00 0.38 H new ATOM 0 HG11 VAL A 122 8.244 -5.821 -4.037 1.00 0.43 H new ATOM 0 HG12 VAL A 122 9.178 -7.244 -4.555 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.602 -7.457 -3.756 1.00 0.43 H new ATOM 0 HG21 VAL A 122 8.046 -5.250 -1.667 1.00 0.36 H new ATOM 0 HG22 VAL A 122 7.399 -6.859 -1.268 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.840 -6.245 -0.423 1.00 0.36 H new ATOM 1695 N VAL A 123 11.725 -8.458 -3.190 1.00 0.44 N ATOM 1696 CA VAL A 123 12.665 -8.886 -4.217 1.00 0.51 C ATOM 1697 C VAL A 123 13.193 -10.297 -3.937 1.00 0.57 C ATOM 1698 O VAL A 123 13.759 -10.941 -4.816 1.00 0.67 O ATOM 1699 CB VAL A 123 13.841 -7.887 -4.351 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.795 -7.975 -3.173 1.00 0.48 C ATOM 1701 CG2 VAL A 123 14.581 -8.090 -5.661 1.00 0.59 C ATOM 0 H VAL A 123 12.104 -7.782 -2.527 1.00 0.44 H new ATOM 0 HA VAL A 123 12.124 -8.907 -5.163 1.00 0.51 H new ATOM 0 HB VAL A 123 13.414 -6.884 -4.350 1.00 0.50 H new ATOM 0 HG11 VAL A 123 15.605 -7.258 -3.307 1.00 0.48 H new ATOM 0 HG12 VAL A 123 14.258 -7.748 -2.252 1.00 0.48 H new ATOM 0 HG13 VAL A 123 15.208 -8.982 -3.114 1.00 0.48 H new ATOM 0 HG21 VAL A 123 15.402 -7.376 -5.730 1.00 0.59 H new ATOM 0 HG22 VAL A 123 14.978 -9.104 -5.701 1.00 0.59 H new ATOM 0 HG23 VAL A 123 13.895 -7.936 -6.494 1.00 0.59 H new ATOM 1711 N LYS A 124 13.012 -10.781 -2.714 1.00 0.55 N ATOM 1712 CA LYS A 124 13.410 -12.143 -2.376 1.00 0.61 C ATOM 1713 C LYS A 124 12.334 -13.137 -2.786 1.00 0.63 C ATOM 1714 O LYS A 124 12.597 -14.331 -2.929 1.00 0.72 O ATOM 1715 CB LYS A 124 13.731 -12.278 -0.882 1.00 0.62 C ATOM 1716 CG LYS A 124 15.058 -11.637 -0.503 1.00 0.67 C ATOM 1717 CD LYS A 124 15.442 -11.884 0.951 1.00 0.75 C ATOM 1718 CE LYS A 124 14.475 -11.226 1.922 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.970 -11.296 3.323 1.00 1.07 N ATOM 0 H LYS A 124 12.596 -10.256 -1.945 1.00 0.55 H new ATOM 0 HA LYS A 124 14.319 -12.370 -2.933 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.932 -11.819 -0.301 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.753 -13.334 -0.614 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.842 -12.027 -1.152 1.00 0.67 H new ATOM 0 HG3 LYS A 124 15.001 -10.563 -0.681 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.470 -12.957 1.140 1.00 0.75 H new ATOM 0 HD3 LYS A 124 16.448 -11.503 1.129 1.00 0.75 H new ATOM 0 HE2 LYS A 124 14.328 -10.184 1.639 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.503 -11.714 1.855 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 14.172 -11.176 3.979 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.417 -12.220 3.487 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.667 -10.541 3.483 1.00 1.07 H new ATOM 1733 N VAL A 125 11.120 -12.644 -2.981 1.00 0.59 N ATOM 1734 CA VAL A 125 10.039 -13.485 -3.465 1.00 0.63 C ATOM 1735 C VAL A 125 9.997 -13.466 -4.990 1.00 0.69 C ATOM 1736 O VAL A 125 9.834 -14.507 -5.627 1.00 0.75 O ATOM 1737 CB VAL A 125 8.678 -13.065 -2.881 1.00 0.60 C ATOM 1738 CG1 VAL A 125 7.561 -13.943 -3.428 1.00 0.66 C ATOM 1739 CG2 VAL A 125 8.719 -13.134 -1.360 1.00 0.59 C ATOM 0 H VAL A 125 10.861 -11.672 -2.812 1.00 0.59 H new ATOM 0 HA VAL A 125 10.236 -14.502 -3.127 1.00 0.63 H new ATOM 0 HB VAL A 125 8.474 -12.037 -3.180 1.00 0.60 H new ATOM 0 HG11 VAL A 125 6.609 -13.628 -3.002 1.00 0.66 H new ATOM 0 HG12 VAL A 125 7.522 -13.848 -4.513 1.00 0.66 H new ATOM 0 HG13 VAL A 125 7.752 -14.983 -3.161 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.752 -12.835 -0.956 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.943 -14.154 -1.048 1.00 0.59 H new ATOM 0 HG23 VAL A 125 9.492 -12.462 -0.986 1.00 0.59 H new ATOM 1749 N LYS A 126 10.159 -12.285 -5.579 1.00 0.68 N ATOM 1750 CA LYS A 126 10.314 -12.183 -7.023 1.00 0.76 C ATOM 1751 C LYS A 126 11.544 -11.358 -7.390 1.00 0.75 C ATOM 1752 O LYS A 126 11.468 -10.147 -7.586 1.00 0.73 O ATOM 1753 CB LYS A 126 9.055 -11.646 -7.723 1.00 0.80 C ATOM 1754 CG LYS A 126 8.118 -10.808 -6.861 1.00 0.73 C ATOM 1755 CD LYS A 126 8.553 -9.357 -6.786 1.00 0.71 C ATOM 1756 CE LYS A 126 7.359 -8.422 -6.665 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.445 -8.509 -7.838 1.00 1.12 N ATOM 0 H LYS A 126 10.186 -11.394 -5.083 1.00 0.68 H new ATOM 0 HA LYS A 126 10.462 -13.199 -7.390 1.00 0.76 H new ATOM 0 HB2 LYS A 126 9.367 -11.044 -8.577 1.00 0.80 H new ATOM 0 HB3 LYS A 126 8.494 -12.493 -8.118 1.00 0.80 H new ATOM 0 HG2 LYS A 126 7.108 -10.862 -7.267 1.00 0.73 H new ATOM 0 HG3 LYS A 126 8.080 -11.227 -5.855 1.00 0.73 H new ATOM 0 HD2 LYS A 126 9.213 -9.218 -5.930 1.00 0.71 H new ATOM 0 HD3 LYS A 126 9.127 -9.102 -7.677 1.00 0.71 H new ATOM 0 HE2 LYS A 126 6.804 -8.662 -5.758 1.00 0.73 H new ATOM 0 HE3 LYS A 126 7.714 -7.397 -6.560 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.894 -7.630 -7.914 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 7.004 -8.643 -8.705 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 5.798 -9.314 -7.715 1.00 1.12 H new ATOM 1771 N PRO A 127 12.706 -12.024 -7.467 1.00 0.80 N ATOM 1772 CA PRO A 127 13.979 -11.385 -7.820 1.00 0.83 C ATOM 1773 C PRO A 127 14.078 -11.067 -9.307 1.00 0.92 C ATOM 1774 O PRO A 127 15.003 -10.385 -9.745 1.00 0.96 O ATOM 1775 CB PRO A 127 15.015 -12.439 -7.437 1.00 0.87 C ATOM 1776 CG PRO A 127 14.296 -13.730 -7.590 1.00 0.97 C ATOM 1777 CD PRO A 127 12.875 -13.461 -7.187 1.00 0.86 C ATOM 0 HA PRO A 127 14.108 -10.428 -7.315 1.00 0.83 H new ATOM 0 HB2 PRO A 127 15.890 -12.391 -8.085 1.00 0.87 H new ATOM 0 HB3 PRO A 127 15.367 -12.298 -6.415 1.00 0.87 H new ATOM 0 HG2 PRO A 127 14.349 -14.087 -8.619 1.00 0.97 H new ATOM 0 HG3 PRO A 127 14.741 -14.501 -6.961 1.00 0.97 H new ATOM 0 HD2 PRO A 127 12.173 -14.067 -7.760 1.00 0.86 H new ATOM 0 HD3 PRO A 127 12.706 -13.688 -6.134 1.00 0.86 H new ATOM 1785 N HIS A 128 13.130 -11.578 -10.083 1.00 0.99 N ATOM 1786 CA HIS A 128 13.080 -11.294 -11.511 1.00 1.12 C ATOM 1787 C HIS A 128 12.171 -10.106 -11.781 1.00 1.04 C ATOM 1788 O HIS A 128 11.906 -9.756 -12.930 1.00 1.11 O ATOM 1789 CB HIS A 128 12.593 -12.515 -12.293 1.00 1.33 C ATOM 1790 CG HIS A 128 13.652 -13.550 -12.521 1.00 2.00 C ATOM 1791 ND1 HIS A 128 14.111 -13.880 -13.775 1.00 2.75 N ATOM 1792 CD2 HIS A 128 14.341 -14.330 -11.655 1.00 2.49 C ATOM 1793 CE1 HIS A 128 15.030 -14.819 -13.673 1.00 3.56 C ATOM 1794 NE2 HIS A 128 15.189 -15.113 -12.396 1.00 3.37 N ATOM 0 H HIS A 128 12.386 -12.190 -9.748 1.00 0.99 H new ATOM 0 HA HIS A 128 14.089 -11.052 -11.844 1.00 1.12 H new ATOM 0 HB2 HIS A 128 11.762 -12.971 -11.755 1.00 1.33 H new ATOM 0 HB3 HIS A 128 12.206 -12.186 -13.258 1.00 1.33 H new ATOM 0 HD2 HIS A 128 14.241 -14.335 -10.580 1.00 2.49 H new ATOM 0 HE1 HIS A 128 15.563 -15.272 -14.496 1.00 3.56 H new ATOM 0 HE2 HIS A 128 15.836 -15.808 -12.022 1.00 3.37 H new ATOM 1803 N ASP A 129 11.692 -9.492 -10.711 1.00 0.92 N ATOM 1804 CA ASP A 129 10.816 -8.335 -10.830 1.00 0.89 C ATOM 1805 C ASP A 129 11.624 -7.048 -10.777 1.00 0.83 C ATOM 1806 O ASP A 129 12.210 -6.718 -9.749 1.00 0.80 O ATOM 1807 CB ASP A 129 9.784 -8.334 -9.712 1.00 0.89 C ATOM 1808 CG ASP A 129 8.721 -7.277 -9.905 1.00 0.89 C ATOM 1809 OD1 ASP A 129 9.032 -6.079 -9.795 1.00 1.11 O ATOM 1810 OD2 ASP A 129 7.558 -7.651 -10.159 1.00 1.09 O ATOM 0 H ASP A 129 11.894 -9.774 -9.752 1.00 0.92 H new ATOM 0 HA ASP A 129 10.303 -8.394 -11.790 1.00 0.89 H new ATOM 0 HB2 ASP A 129 9.311 -9.315 -9.658 1.00 0.89 H new ATOM 0 HB3 ASP A 129 10.286 -8.169 -8.759 1.00 0.89 H new ATOM 1815 N LYS A 130 11.643 -6.325 -11.886 1.00 0.85 N ATOM 1816 CA LYS A 130 12.431 -5.103 -12.000 1.00 0.89 C ATOM 1817 C LYS A 130 12.033 -4.049 -10.980 1.00 0.84 C ATOM 1818 O LYS A 130 12.882 -3.297 -10.523 1.00 0.84 O ATOM 1819 CB LYS A 130 12.320 -4.503 -13.398 1.00 1.04 C ATOM 1820 CG LYS A 130 10.888 -4.341 -13.891 1.00 1.18 C ATOM 1821 CD LYS A 130 10.842 -3.745 -15.289 1.00 1.44 C ATOM 1822 CE LYS A 130 11.492 -2.370 -15.336 1.00 2.28 C ATOM 1823 NZ LYS A 130 11.489 -1.799 -16.708 1.00 3.05 N ATOM 0 H LYS A 130 11.118 -6.564 -12.727 1.00 0.85 H new ATOM 0 HA LYS A 130 13.462 -5.396 -11.803 1.00 0.89 H new ATOM 0 HB2 LYS A 130 12.808 -3.528 -13.404 1.00 1.04 H new ATOM 0 HB3 LYS A 130 12.865 -5.136 -14.098 1.00 1.04 H new ATOM 0 HG2 LYS A 130 10.391 -5.311 -13.892 1.00 1.18 H new ATOM 0 HG3 LYS A 130 10.336 -3.700 -13.203 1.00 1.18 H new ATOM 0 HD2 LYS A 130 11.350 -4.412 -15.986 1.00 1.44 H new ATOM 0 HD3 LYS A 130 9.806 -3.669 -15.618 1.00 1.44 H new ATOM 0 HE2 LYS A 130 10.964 -1.696 -14.662 1.00 2.28 H new ATOM 0 HE3 LYS A 130 12.518 -2.442 -14.975 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 11.941 -0.862 -16.695 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 12.015 -2.429 -17.347 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 10.509 -1.706 -17.043 1.00 3.05 H new ATOM 1837 N ASP A 131 10.757 -3.989 -10.622 1.00 0.86 N ATOM 1838 CA ASP A 131 10.281 -2.931 -9.739 1.00 0.90 C ATOM 1839 C ASP A 131 10.554 -3.301 -8.288 1.00 0.77 C ATOM 1840 O ASP A 131 10.913 -2.445 -7.473 1.00 0.80 O ATOM 1841 CB ASP A 131 8.793 -2.664 -9.957 1.00 1.05 C ATOM 1842 CG ASP A 131 8.355 -1.343 -9.348 1.00 1.45 C ATOM 1843 OD1 ASP A 131 8.961 -0.298 -9.673 1.00 1.60 O ATOM 1844 OD2 ASP A 131 7.391 -1.331 -8.563 1.00 1.82 O ATOM 0 H ASP A 131 10.041 -4.650 -10.924 1.00 0.86 H new ATOM 0 HA ASP A 131 10.822 -2.015 -9.976 1.00 0.90 H new ATOM 0 HB2 ASP A 131 8.579 -2.659 -11.026 1.00 1.05 H new ATOM 0 HB3 ASP A 131 8.211 -3.475 -9.519 1.00 1.05 H new ATOM 1849 N ALA A 132 10.390 -4.585 -7.979 1.00 0.69 N ATOM 1850 CA ALA A 132 10.795 -5.121 -6.689 1.00 0.62 C ATOM 1851 C ALA A 132 12.268 -4.836 -6.458 1.00 0.59 C ATOM 1852 O ALA A 132 12.656 -4.288 -5.422 1.00 0.56 O ATOM 1853 CB ALA A 132 10.539 -6.618 -6.628 1.00 0.65 C ATOM 0 H ALA A 132 9.978 -5.273 -8.609 1.00 0.69 H new ATOM 0 HA ALA A 132 10.207 -4.639 -5.908 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.848 -7.001 -5.655 1.00 0.65 H new ATOM 0 HB2 ALA A 132 9.476 -6.812 -6.773 1.00 0.65 H new ATOM 0 HB3 ALA A 132 11.109 -7.117 -7.412 1.00 0.65 H new ATOM 1859 N LYS A 133 13.088 -5.206 -7.443 1.00 0.63 N ATOM 1860 CA LYS A 133 14.505 -4.892 -7.402 1.00 0.66 C ATOM 1861 C LYS A 133 14.690 -3.395 -7.278 1.00 0.65 C ATOM 1862 O LYS A 133 15.321 -2.931 -6.350 1.00 0.63 O ATOM 1863 CB LYS A 133 15.240 -5.371 -8.656 1.00 0.74 C ATOM 1864 CG LYS A 133 15.050 -6.838 -8.957 1.00 0.75 C ATOM 1865 CD LYS A 133 16.071 -7.352 -9.954 1.00 0.95 C ATOM 1866 CE LYS A 133 15.923 -6.697 -11.318 1.00 1.21 C ATOM 1867 NZ LYS A 133 16.850 -7.293 -12.318 1.00 1.93 N ATOM 0 H LYS A 133 12.791 -5.721 -8.272 1.00 0.63 H new ATOM 0 HA LYS A 133 14.925 -5.410 -6.540 1.00 0.66 H new ATOM 0 HB2 LYS A 133 14.897 -4.788 -9.511 1.00 0.74 H new ATOM 0 HB3 LYS A 133 16.305 -5.170 -8.540 1.00 0.74 H new ATOM 0 HG2 LYS A 133 15.127 -7.410 -8.033 1.00 0.75 H new ATOM 0 HG3 LYS A 133 14.046 -7.000 -9.350 1.00 0.75 H new ATOM 0 HD2 LYS A 133 17.075 -7.167 -9.571 1.00 0.95 H new ATOM 0 HD3 LYS A 133 15.963 -8.432 -10.058 1.00 0.95 H new ATOM 0 HE2 LYS A 133 14.895 -6.806 -11.664 1.00 1.21 H new ATOM 0 HE3 LYS A 133 16.119 -5.628 -11.232 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 16.721 -6.821 -13.236 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 17.832 -7.167 -11.999 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.646 -8.308 -12.419 1.00 1.93 H new ATOM 1881 N MET A 134 14.089 -2.665 -8.209 1.00 0.68 N ATOM 1882 CA MET A 134 14.273 -1.221 -8.340 1.00 0.72 C ATOM 1883 C MET A 134 14.214 -0.503 -7.001 1.00 0.65 C ATOM 1884 O MET A 134 15.167 0.161 -6.597 1.00 0.68 O ATOM 1885 CB MET A 134 13.190 -0.636 -9.251 1.00 0.78 C ATOM 1886 CG MET A 134 13.277 0.875 -9.400 1.00 0.84 C ATOM 1887 SD MET A 134 12.015 1.551 -10.498 1.00 0.97 S ATOM 1888 CE MET A 134 12.363 0.659 -12.012 1.00 1.61 C ATOM 0 H MET A 134 13.454 -3.060 -8.902 1.00 0.68 H new ATOM 0 HA MET A 134 15.264 -1.069 -8.767 1.00 0.72 H new ATOM 0 HB2 MET A 134 13.267 -1.096 -10.236 1.00 0.78 H new ATOM 0 HB3 MET A 134 12.210 -0.898 -8.853 1.00 0.78 H new ATOM 0 HG2 MET A 134 13.181 1.337 -8.418 1.00 0.84 H new ATOM 0 HG3 MET A 134 14.263 1.140 -9.782 1.00 0.84 H new ATOM 0 HE1 MET A 134 11.946 1.204 -12.859 1.00 1.61 H new ATOM 0 HE2 MET A 134 13.441 0.562 -12.138 1.00 1.61 H new ATOM 0 HE3 MET A 134 11.913 -0.333 -11.962 1.00 1.61 H new ATOM 1898 N LYS A 135 13.094 -0.640 -6.322 1.00 0.59 N ATOM 1899 CA LYS A 135 12.868 0.081 -5.083 1.00 0.54 C ATOM 1900 C LYS A 135 13.744 -0.473 -3.965 1.00 0.48 C ATOM 1901 O LYS A 135 14.083 0.238 -3.022 1.00 0.46 O ATOM 1902 CB LYS A 135 11.383 0.041 -4.726 1.00 0.54 C ATOM 1903 CG LYS A 135 10.564 1.155 -5.376 1.00 0.65 C ATOM 1904 CD LYS A 135 10.884 1.303 -6.857 1.00 0.76 C ATOM 1905 CE LYS A 135 9.978 2.314 -7.544 1.00 1.05 C ATOM 1906 NZ LYS A 135 8.661 1.727 -7.902 1.00 1.94 N ATOM 0 H LYS A 135 12.324 -1.245 -6.607 1.00 0.59 H new ATOM 0 HA LYS A 135 13.153 1.125 -5.216 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.972 -0.923 -5.027 1.00 0.54 H new ATOM 0 HB3 LYS A 135 11.277 0.109 -3.643 1.00 0.54 H new ATOM 0 HG2 LYS A 135 9.502 0.944 -5.253 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.763 2.097 -4.865 1.00 0.65 H new ATOM 0 HD2 LYS A 135 11.923 1.611 -6.973 1.00 0.76 H new ATOM 0 HD3 LYS A 135 10.782 0.335 -7.347 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.827 3.171 -6.887 1.00 1.05 H new ATOM 0 HE3 LYS A 135 10.466 2.685 -8.445 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 7.991 2.490 -8.129 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 8.771 1.105 -8.728 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 8.297 1.175 -7.099 1.00 1.94 H new ATOM 1920 N TYR A 136 14.133 -1.735 -4.091 1.00 0.48 N ATOM 1921 CA TYR A 136 15.118 -2.321 -3.195 1.00 0.46 C ATOM 1922 C TYR A 136 16.492 -1.695 -3.442 1.00 0.47 C ATOM 1923 O TYR A 136 17.189 -1.323 -2.503 1.00 0.48 O ATOM 1924 CB TYR A 136 15.179 -3.840 -3.389 1.00 0.48 C ATOM 1925 CG TYR A 136 16.357 -4.500 -2.704 1.00 0.48 C ATOM 1926 CD1 TYR A 136 16.371 -4.685 -1.330 1.00 0.48 C ATOM 1927 CD2 TYR A 136 17.454 -4.934 -3.436 1.00 0.54 C ATOM 1928 CE1 TYR A 136 17.447 -5.284 -0.703 1.00 0.51 C ATOM 1929 CE2 TYR A 136 18.534 -5.536 -2.818 1.00 0.57 C ATOM 1930 CZ TYR A 136 18.525 -5.707 -1.449 1.00 0.54 C ATOM 1931 OH TYR A 136 19.597 -6.306 -0.822 1.00 0.59 O ATOM 0 H TYR A 136 13.781 -2.372 -4.806 1.00 0.48 H new ATOM 0 HA TYR A 136 14.821 -2.117 -2.166 1.00 0.46 H new ATOM 0 HB2 TYR A 136 14.257 -4.282 -3.011 1.00 0.48 H new ATOM 0 HB3 TYR A 136 15.223 -4.059 -4.456 1.00 0.48 H new ATOM 0 HD1 TYR A 136 15.528 -4.356 -0.741 1.00 0.48 H new ATOM 0 HD2 TYR A 136 17.464 -4.799 -4.507 1.00 0.54 H new ATOM 0 HE1 TYR A 136 17.443 -5.420 0.368 1.00 0.51 H new ATOM 0 HE2 TYR A 136 19.379 -5.870 -3.402 1.00 0.57 H new ATOM 0 HH TYR A 136 20.273 -6.547 -1.489 1.00 0.59 H new ATOM 1941 N GLN A 137 16.858 -1.556 -4.713 1.00 0.49 N ATOM 1942 CA GLN A 137 18.151 -1.004 -5.101 1.00 0.51 C ATOM 1943 C GLN A 137 18.226 0.453 -4.680 1.00 0.53 C ATOM 1944 O GLN A 137 19.281 0.945 -4.279 1.00 0.57 O ATOM 1945 CB GLN A 137 18.348 -1.095 -6.622 1.00 0.55 C ATOM 1946 CG GLN A 137 17.977 -2.444 -7.225 1.00 0.61 C ATOM 1947 CD GLN A 137 18.786 -3.592 -6.680 1.00 1.17 C ATOM 1948 OE1 GLN A 137 18.175 -4.758 -6.667 1.00 2.09 O flip ATOM 1949 NE2 GLN A 137 19.942 -3.438 -6.286 1.00 1.24 N flip ATOM 0 H GLN A 137 16.268 -1.822 -5.501 1.00 0.49 H new ATOM 0 HA GLN A 137 18.934 -1.580 -4.608 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.750 -0.320 -7.101 1.00 0.55 H new ATOM 0 HB3 GLN A 137 19.391 -0.881 -6.854 1.00 0.55 H new ATOM 0 HG2 GLN A 137 16.920 -2.636 -7.041 1.00 0.61 H new ATOM 0 HG3 GLN A 137 18.110 -2.398 -8.306 1.00 0.61 H new ATOM 0 HE21 GLN A 137 20.372 -2.514 -6.316 1.00 1.24 H new ATOM 0 HE22 GLN A 137 20.470 -4.235 -5.929 1.00 1.24 H new ATOM 1958 N GLU A 138 17.084 1.121 -4.762 1.00 0.53 N ATOM 1959 CA GLU A 138 16.974 2.530 -4.432 1.00 0.57 C ATOM 1960 C GLU A 138 17.191 2.744 -2.941 1.00 0.54 C ATOM 1961 O GLU A 138 17.916 3.647 -2.530 1.00 0.60 O ATOM 1962 CB GLU A 138 15.602 3.051 -4.871 1.00 0.60 C ATOM 1963 CG GLU A 138 15.245 4.423 -4.328 1.00 0.69 C ATOM 1964 CD GLU A 138 14.007 5.006 -4.978 1.00 1.33 C ATOM 1965 OE1 GLU A 138 13.986 5.129 -6.222 1.00 1.46 O ATOM 1966 OE2 GLU A 138 13.054 5.348 -4.251 1.00 2.04 O ATOM 0 H GLU A 138 16.206 0.697 -5.061 1.00 0.53 H new ATOM 0 HA GLU A 138 17.745 3.088 -4.963 1.00 0.57 H new ATOM 0 HB2 GLU A 138 15.573 3.087 -5.960 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.839 2.339 -4.555 1.00 0.60 H new ATOM 0 HG2 GLU A 138 15.086 4.353 -3.252 1.00 0.69 H new ATOM 0 HG3 GLU A 138 16.085 5.100 -4.483 1.00 0.69 H new ATOM 1973 N CYS A 139 16.577 1.897 -2.138 1.00 0.47 N ATOM 1974 CA CYS A 139 16.749 1.958 -0.709 1.00 0.44 C ATOM 1975 C CYS A 139 18.138 1.464 -0.321 1.00 0.43 C ATOM 1976 O CYS A 139 18.787 2.044 0.544 1.00 0.42 O ATOM 1977 CB CYS A 139 15.671 1.125 -0.036 1.00 0.42 C ATOM 1978 SG CYS A 139 13.991 1.652 -0.439 1.00 1.06 S ATOM 0 H CYS A 139 15.953 1.157 -2.458 1.00 0.47 H new ATOM 0 HA CYS A 139 16.656 2.992 -0.376 1.00 0.44 H new ATOM 0 HB2 CYS A 139 15.795 0.082 -0.327 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.808 1.173 1.044 1.00 0.42 H new ATOM 0 HG CYS A 139 13.680 1.236 -1.631 1.00 1.06 H new ATOM 1984 N ASN A 140 18.598 0.408 -0.990 1.00 0.45 N ATOM 1985 CA ASN A 140 19.904 -0.179 -0.705 1.00 0.48 C ATOM 1986 C ASN A 140 21.008 0.852 -0.884 1.00 0.52 C ATOM 1987 O ASN A 140 21.825 1.059 0.010 1.00 0.54 O ATOM 1988 CB ASN A 140 20.171 -1.378 -1.619 1.00 0.52 C ATOM 1989 CG ASN A 140 21.462 -2.099 -1.273 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.846 -2.192 -0.107 1.00 1.22 O ATOM 1991 ND2 ASN A 140 22.153 -2.594 -2.288 1.00 1.13 N ATOM 0 H ASN A 140 18.082 -0.059 -1.736 1.00 0.45 H new ATOM 0 HA ASN A 140 19.898 -0.517 0.331 1.00 0.48 H new ATOM 0 HB2 ASN A 140 19.338 -2.077 -1.548 1.00 0.52 H new ATOM 0 HB3 ASN A 140 20.215 -1.039 -2.654 1.00 0.52 H new ATOM 0 HD21 ASN A 140 23.037 -3.073 -2.118 1.00 1.13 H new ATOM 0 HD22 ASN A 140 21.801 -2.497 -3.240 1.00 1.13 H new ATOM 1998 N LYS A 141 21.020 1.508 -2.044 1.00 0.56 N ATOM 1999 CA LYS A 141 22.023 2.526 -2.325 1.00 0.63 C ATOM 2000 C LYS A 141 21.942 3.649 -1.299 1.00 0.60 C ATOM 2001 O LYS A 141 22.966 4.120 -0.818 1.00 0.65 O ATOM 2002 CB LYS A 141 21.862 3.103 -3.739 1.00 0.70 C ATOM 2003 CG LYS A 141 20.511 3.753 -3.984 1.00 0.69 C ATOM 2004 CD LYS A 141 20.557 4.732 -5.141 1.00 0.81 C ATOM 2005 CE LYS A 141 19.179 5.305 -5.434 1.00 0.85 C ATOM 2006 NZ LYS A 141 19.212 6.314 -6.523 1.00 1.15 N ATOM 0 H LYS A 141 20.350 1.352 -2.797 1.00 0.56 H new ATOM 0 HA LYS A 141 23.001 2.048 -2.262 1.00 0.63 H new ATOM 0 HB2 LYS A 141 22.646 3.840 -3.913 1.00 0.70 H new ATOM 0 HB3 LYS A 141 22.008 2.304 -4.466 1.00 0.70 H new ATOM 0 HG2 LYS A 141 19.769 2.982 -4.190 1.00 0.69 H new ATOM 0 HG3 LYS A 141 20.189 4.272 -3.081 1.00 0.69 H new ATOM 0 HD2 LYS A 141 21.248 5.542 -4.908 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.941 4.231 -6.029 1.00 0.81 H new ATOM 0 HE2 LYS A 141 18.502 4.496 -5.710 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.777 5.762 -4.530 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 18.252 6.677 -6.689 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.837 7.099 -6.250 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 19.570 5.873 -7.394 1.00 1.15 H new ATOM 2020 N ILE A 142 20.720 4.054 -0.948 1.00 0.54 N ATOM 2021 CA ILE A 142 20.518 5.151 -0.009 1.00 0.52 C ATOM 2022 C ILE A 142 21.001 4.787 1.390 1.00 0.49 C ATOM 2023 O ILE A 142 21.537 5.632 2.116 1.00 0.51 O ATOM 2024 CB ILE A 142 19.052 5.624 0.005 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.788 6.432 -1.267 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.756 6.452 1.247 1.00 0.49 C ATOM 2027 CD1 ILE A 142 17.400 7.029 -1.344 1.00 0.60 C ATOM 0 H ILE A 142 19.859 3.637 -1.301 1.00 0.54 H new ATOM 0 HA ILE A 142 21.125 5.988 -0.355 1.00 0.52 H new ATOM 0 HB ILE A 142 18.391 4.758 0.033 1.00 0.50 H new ATOM 0 HG12 ILE A 142 19.521 7.236 -1.333 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.943 5.788 -2.132 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.714 6.773 1.231 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.936 5.850 2.137 1.00 0.49 H new ATOM 0 HG23 ILE A 142 19.405 7.328 1.264 1.00 0.49 H new ATOM 0 HD11 ILE A 142 17.294 7.586 -2.275 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.658 6.231 -1.312 1.00 0.60 H new ATOM 0 HD13 ILE A 142 17.246 7.701 -0.500 1.00 0.60 H new ATOM 2039 N VAL A 143 20.852 3.527 1.759 1.00 0.46 N ATOM 2040 CA VAL A 143 21.407 3.049 3.009 1.00 0.47 C ATOM 2041 C VAL A 143 22.926 3.203 2.998 1.00 0.56 C ATOM 2042 O VAL A 143 23.531 3.541 4.013 1.00 0.59 O ATOM 2043 CB VAL A 143 21.033 1.580 3.286 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.768 1.066 4.510 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.530 1.439 3.473 1.00 0.41 C ATOM 0 H VAL A 143 20.355 2.822 1.214 1.00 0.46 H new ATOM 0 HA VAL A 143 20.980 3.654 3.808 1.00 0.47 H new ATOM 0 HB VAL A 143 21.332 0.981 2.426 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.492 0.027 4.691 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.843 1.132 4.343 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.498 1.669 5.377 1.00 0.55 H new ATOM 0 HG21 VAL A 143 19.284 0.395 3.668 1.00 0.41 H new ATOM 0 HG22 VAL A 143 19.209 2.051 4.316 1.00 0.41 H new ATOM 0 HG23 VAL A 143 19.018 1.770 2.569 1.00 0.41 H new ATOM 2055 N LYS A 144 23.534 2.993 1.835 1.00 0.63 N ATOM 2056 CA LYS A 144 24.979 3.129 1.704 1.00 0.74 C ATOM 2057 C LYS A 144 25.371 4.587 1.582 1.00 0.76 C ATOM 2058 O LYS A 144 26.520 4.948 1.838 1.00 0.85 O ATOM 2059 CB LYS A 144 25.510 2.369 0.495 1.00 0.84 C ATOM 2060 CG LYS A 144 24.869 1.016 0.303 1.00 0.83 C ATOM 2061 CD LYS A 144 25.885 -0.049 -0.084 1.00 1.10 C ATOM 2062 CE LYS A 144 26.641 -0.593 1.126 1.00 1.57 C ATOM 2063 NZ LYS A 144 27.476 0.440 1.806 1.00 2.23 N ATOM 0 H LYS A 144 23.052 2.730 0.975 1.00 0.63 H new ATOM 0 HA LYS A 144 25.421 2.703 2.605 1.00 0.74 H new ATOM 0 HB2 LYS A 144 25.348 2.969 -0.401 1.00 0.84 H new ATOM 0 HB3 LYS A 144 26.587 2.240 0.602 1.00 0.84 H new ATOM 0 HG2 LYS A 144 24.366 0.719 1.224 1.00 0.83 H new ATOM 0 HG3 LYS A 144 24.104 1.084 -0.470 1.00 0.83 H new ATOM 0 HD2 LYS A 144 25.375 -0.869 -0.590 1.00 1.10 H new ATOM 0 HD3 LYS A 144 26.596 0.371 -0.795 1.00 1.10 H new ATOM 0 HE2 LYS A 144 25.926 -1.002 1.840 1.00 1.57 H new ATOM 0 HE3 LYS A 144 27.280 -1.417 0.808 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 28.206 -0.027 2.381 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 27.932 1.043 1.092 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 26.873 1.025 2.419 1.00 2.23 H new ATOM 2077 N GLN A 145 24.427 5.428 1.172 1.00 0.70 N ATOM 2078 CA GLN A 145 24.667 6.858 1.171 1.00 0.74 C ATOM 2079 C GLN A 145 24.928 7.291 2.595 1.00 0.75 C ATOM 2080 O GLN A 145 25.676 8.229 2.865 1.00 0.84 O ATOM 2081 CB GLN A 145 23.475 7.639 0.624 1.00 0.71 C ATOM 2082 CG GLN A 145 22.927 7.068 -0.659 1.00 0.72 C ATOM 2083 CD GLN A 145 23.804 7.307 -1.872 1.00 0.94 C ATOM 2084 OE1 GLN A 145 25.031 7.397 -1.776 1.00 1.36 O ATOM 2085 NE2 GLN A 145 23.172 7.410 -3.028 1.00 1.27 N ATOM 0 H GLN A 145 23.504 5.146 0.842 1.00 0.70 H new ATOM 0 HA GLN A 145 25.521 7.065 0.526 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.684 7.654 1.374 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.774 8.674 0.455 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.785 5.995 -0.534 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.944 7.500 -0.845 1.00 0.72 H new ATOM 0 HE21 GLN A 145 22.156 7.329 -3.063 1.00 1.27 H new ATOM 0 HE22 GLN A 145 23.700 7.570 -3.886 1.00 1.27 H new ATOM 2094 N LYS A 146 24.277 6.582 3.504 1.00 0.67 N ATOM 2095 CA LYS A 146 24.429 6.821 4.919 1.00 0.70 C ATOM 2096 C LYS A 146 25.613 6.037 5.488 1.00 0.84 C ATOM 2097 O LYS A 146 26.416 6.578 6.250 1.00 0.94 O ATOM 2098 CB LYS A 146 23.150 6.429 5.652 1.00 0.58 C ATOM 2099 CG LYS A 146 21.920 7.184 5.177 1.00 0.58 C ATOM 2100 CD LYS A 146 20.737 6.960 6.102 1.00 0.64 C ATOM 2101 CE LYS A 146 21.023 7.495 7.495 1.00 1.40 C ATOM 2102 NZ LYS A 146 19.793 7.603 8.322 1.00 1.73 N ATOM 0 H LYS A 146 23.631 5.827 3.275 1.00 0.67 H new ATOM 0 HA LYS A 146 24.622 7.884 5.065 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.981 5.360 5.524 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.284 6.605 6.719 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.144 8.249 5.123 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.661 6.861 4.169 1.00 0.58 H new ATOM 0 HD2 LYS A 146 19.854 7.452 5.694 1.00 0.64 H new ATOM 0 HD3 LYS A 146 20.511 5.895 6.157 1.00 0.64 H new ATOM 0 HE2 LYS A 146 21.737 6.840 7.994 1.00 1.40 H new ATOM 0 HE3 LYS A 146 21.492 8.476 7.416 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 20.039 7.972 9.263 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 19.121 8.249 7.861 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 19.358 6.664 8.421 1.00 1.73 H new ATOM 2116 N ALA A 147 25.710 4.764 5.123 1.00 1.04 N ATOM 2117 CA ALA A 147 26.768 3.898 5.629 1.00 1.25 C ATOM 2118 C ALA A 147 27.326 3.009 4.521 1.00 1.72 C ATOM 2119 O ALA A 147 26.639 2.043 4.116 1.00 2.32 O ATOM 2120 CB ALA A 147 26.248 3.053 6.783 1.00 1.87 C ATOM 2121 OXT ALA A 147 28.458 3.267 4.067 1.00 2.18 O ATOM 0 H ALA A 147 25.067 4.308 4.476 1.00 1.04 H new ATOM 0 HA ALA A 147 27.580 4.527 5.993 1.00 1.25 H new ATOM 0 HB1 ALA A 147 27.047 2.410 7.152 1.00 1.87 H new ATOM 0 HB2 ALA A 147 25.906 3.705 7.587 1.00 1.87 H new ATOM 0 HB3 ALA A 147 25.418 2.437 6.438 1.00 1.87 H new TER 2127 ALA A 147 HETATM 2128 C ACE B 0 -11.043 3.633 -13.020 1.00 5.84 C HETATM 2129 O ACE B 0 -10.307 4.331 -13.722 1.00 5.72 O HETATM 2130 CH3 ACE B 0 -11.735 4.222 -11.813 1.00 6.73 C HETATM 0 H1 ACE B 0 -12.815 4.132 -11.932 1.00 6.73 H new HETATM 0 H2 ACE B 0 -11.423 3.686 -10.917 1.00 6.73 H new HETATM 0 H3 ACE B 0 -11.467 5.274 -11.718 1.00 6.73 H new ATOM 2134 N MET B 1 -11.271 2.335 -13.250 1.00 5.58 N ATOM 2135 CA MET B 1 -10.698 1.611 -14.393 1.00 5.12 C ATOM 2136 C MET B 1 -9.194 1.430 -14.214 1.00 4.50 C ATOM 2137 O MET B 1 -8.459 1.206 -15.176 1.00 4.70 O ATOM 2138 CB MET B 1 -11.001 2.322 -15.719 1.00 5.46 C ATOM 2139 CG MET B 1 -12.482 2.405 -16.044 1.00 6.11 C ATOM 2140 SD MET B 1 -12.802 3.240 -17.612 1.00 6.75 S ATOM 2141 CE MET B 1 -12.003 2.120 -18.761 1.00 6.84 C ATOM 0 H MET B 1 -11.858 1.756 -12.650 1.00 5.58 H new ATOM 0 HA MET B 1 -11.166 0.627 -14.430 1.00 5.12 H new ATOM 0 HB2 MET B 1 -10.589 3.331 -15.682 1.00 5.46 H new ATOM 0 HB3 MET B 1 -10.490 1.798 -16.527 1.00 5.46 H new ATOM 0 HG2 MET B 1 -12.899 1.399 -16.081 1.00 6.11 H new ATOM 0 HG3 MET B 1 -12.997 2.935 -15.243 1.00 6.11 H new ATOM 0 HE1 MET B 1 -12.648 1.966 -19.626 1.00 6.84 H new ATOM 0 HE2 MET B 1 -11.055 2.548 -19.087 1.00 6.84 H new ATOM 0 HE3 MET B 1 -11.820 1.164 -18.270 1.00 6.84 H new ATOM 2151 N GLU B 2 -8.755 1.509 -12.969 1.00 4.17 N ATOM 2152 CA GLU B 2 -7.360 1.319 -12.623 1.00 3.92 C ATOM 2153 C GLU B 2 -7.269 0.284 -11.510 1.00 3.09 C ATOM 2154 O GLU B 2 -8.195 0.157 -10.704 1.00 3.38 O ATOM 2155 CB GLU B 2 -6.749 2.653 -12.179 1.00 4.79 C ATOM 2156 CG GLU B 2 -5.285 2.564 -11.779 1.00 5.50 C ATOM 2157 CD GLU B 2 -4.700 3.910 -11.408 1.00 6.27 C ATOM 2158 OE1 GLU B 2 -5.023 4.427 -10.321 1.00 6.64 O ATOM 2159 OE2 GLU B 2 -3.909 4.461 -12.206 1.00 6.76 O ATOM 0 H GLU B 2 -9.358 1.707 -12.170 1.00 4.17 H new ATOM 0 HA GLU B 2 -6.802 0.963 -13.489 1.00 3.92 H new ATOM 0 HB2 GLU B 2 -6.849 3.374 -12.990 1.00 4.79 H new ATOM 0 HB3 GLU B 2 -7.322 3.040 -11.336 1.00 4.79 H new ATOM 0 HG2 GLU B 2 -5.184 1.883 -10.934 1.00 5.50 H new ATOM 0 HG3 GLU B 2 -4.712 2.138 -12.603 1.00 5.50 H new ATOM 2166 N GLU B 3 -6.176 -0.469 -11.469 1.00 2.63 N ATOM 2167 CA GLU B 3 -6.010 -1.492 -10.445 1.00 2.33 C ATOM 2168 C GLU B 3 -5.833 -0.854 -9.074 1.00 1.99 C ATOM 2169 O GLU B 3 -6.295 -1.405 -8.081 1.00 2.69 O ATOM 2170 CB GLU B 3 -4.805 -2.397 -10.744 1.00 2.76 C ATOM 2171 CG GLU B 3 -3.460 -1.695 -10.637 1.00 3.28 C ATOM 2172 CD GLU B 3 -2.314 -2.664 -10.436 1.00 3.76 C ATOM 2173 OE1 GLU B 3 -1.799 -3.198 -11.442 1.00 4.07 O ATOM 2174 OE2 GLU B 3 -1.920 -2.891 -9.274 1.00 4.29 O ATOM 0 H GLU B 3 -5.399 -0.392 -12.126 1.00 2.63 H new ATOM 0 HA GLU B 3 -6.913 -2.103 -10.448 1.00 2.33 H new ATOM 0 HB2 GLU B 3 -4.818 -3.241 -10.054 1.00 2.76 H new ATOM 0 HB3 GLU B 3 -4.911 -2.805 -11.749 1.00 2.76 H new ATOM 0 HG2 GLU B 3 -3.285 -1.113 -11.542 1.00 3.28 H new ATOM 0 HG3 GLU B 3 -3.486 -0.991 -9.805 1.00 3.28 H new ATOM 2181 N VAL B 4 -5.205 0.335 -9.062 1.00 1.33 N ATOM 2182 CA VAL B 4 -4.750 1.019 -7.841 1.00 1.08 C ATOM 2183 C VAL B 4 -4.112 0.036 -6.841 1.00 0.96 C ATOM 2184 O VAL B 4 -2.890 -0.143 -6.862 1.00 1.58 O ATOM 2185 CB VAL B 4 -5.848 1.921 -7.183 1.00 1.16 C ATOM 2186 CG1 VAL B 4 -7.141 1.175 -6.879 1.00 1.73 C ATOM 2187 CG2 VAL B 4 -5.313 2.593 -5.927 1.00 1.88 C ATOM 0 H VAL B 4 -4.997 0.855 -9.914 1.00 1.33 H new ATOM 0 HA VAL B 4 -3.968 1.710 -8.155 1.00 1.08 H new ATOM 0 HB VAL B 4 -6.097 2.683 -7.921 1.00 1.16 H new ATOM 0 HG11 VAL B 4 -7.858 1.859 -6.425 1.00 1.73 H new ATOM 0 HG12 VAL B 4 -7.557 0.776 -7.804 1.00 1.73 H new ATOM 0 HG13 VAL B 4 -6.935 0.356 -6.190 1.00 1.73 H new ATOM 0 HG21 VAL B 4 -6.093 3.215 -5.487 1.00 1.88 H new ATOM 0 HG22 VAL B 4 -5.007 1.832 -5.209 1.00 1.88 H new ATOM 0 HG23 VAL B 4 -4.455 3.215 -6.184 1.00 1.88 H new ATOM 2197 N ASP B 5 -4.921 -0.613 -6.011 1.00 0.80 N ATOM 2198 CA ASP B 5 -4.453 -1.656 -5.111 1.00 0.80 C ATOM 2199 C ASP B 5 -5.513 -2.737 -4.986 1.00 1.61 C ATOM 2200 O ASP B 5 -6.652 -2.406 -4.595 1.00 2.34 O ATOM 2201 CB ASP B 5 -4.090 -1.102 -3.732 1.00 1.41 C ATOM 2202 CG ASP B 5 -2.699 -0.509 -3.705 1.00 2.34 C ATOM 2203 OD1 ASP B 5 -1.723 -1.279 -3.582 1.00 2.81 O ATOM 2204 OD2 ASP B 5 -2.564 0.721 -3.841 1.00 3.06 O ATOM 2205 OXT ASP B 5 -5.210 -3.908 -5.298 1.00 2.28 O ATOM 0 H ASP B 5 -5.922 -0.429 -5.945 1.00 0.80 H new ATOM 0 HA ASP B 5 -3.544 -2.083 -5.535 1.00 0.80 H new ATOM 0 HB2 ASP B 5 -4.814 -0.339 -3.446 1.00 1.41 H new ATOM 0 HB3 ASP B 5 -4.158 -1.899 -2.992 1.00 1.41 H new TER 2210 ASP B 5