USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1090 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 SER OG : rot 85:sc= 1.73 USER MOD Set 1.2: A 26 SER OG : rot 169:sc= 0.89 USER MOD Set 1.3: A 66 HIS : no HD1:sc= 0.264 K(o=2.9,f=-5.8!) USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0.104 USER MOD Set 2.2: A 42 MET CE :methyl -172:sc= -0.163 (180deg=-0.323) USER MOD Set 3.1: A 7 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Set 3.2: A 32 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 14 THR OG1 : rot -36:sc= 0.803 USER MOD Single : A 18 SER OG : rot 143:sc= 1.21 USER MOD Single : A 19 GLN : amide:sc= 0.151 K(o=0.15,f=-3.7!) USER MOD Single : A 21 SER OG : rot -104:sc= -2.38! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 149:sc= -0.331 (180deg=-1.15!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -150:sc= 1.23 (180deg=-0.0081!) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc=0.000102 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 158:sc= -0.771 (180deg=-1.25) USER MOD Single : A 51 SER OG : rot 180:sc= 0.145 USER MOD Single : A 53 ASN : amide:sc= -0.0593 K(o=-0.059,f=-8.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 57 LYS NZ :NH3+ -175:sc= 2.06 (180deg=1.9) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -130:sc= -0.269 (180deg=-0.926) USER MOD Single : A 65 ASN : amide:sc= -0.0493 K(o=-0.049,f=-0.62) USER MOD Single : A 69 GLN : amide:sc= -0.442 K(o=-0.44,f=-1.2) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.696 K(o=-0.7,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.07 K(o=-1.1,f=-6.9!) USER MOD Single : A 80 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.4) USER MOD Single : A 82 SER OG : rot -80:sc= -0.0642 USER MOD Single : A 85 LYS NZ :NH3+ -172:sc= 2.27 (180deg=1.94) USER MOD Single : A 95 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 96 GLN : amide:sc= 0.236 X(o=0.24,f=0) USER MOD Single : A 103 LYS NZ :NH3+ -151:sc= 1.25 (180deg=1.05) USER MOD Single : A 104 LYS NZ :NH3+ -131:sc= 1.24 (180deg=-0.0577) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.154 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 114 LYS NZ :NH3+ -171:sc= 1.28 (180deg=1.21) USER MOD Single : A 117 ASN : amide:sc= -0.953 K(o=-0.95,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.5!) USER MOD Single : A 130 SER OG : rot -87:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 7 14.790 -5.391 -6.484 1.00 0.63 N ATOM 69 CA GLN A 7 15.006 -5.374 -5.042 1.00 0.61 C ATOM 70 C GLN A 7 13.689 -5.210 -4.287 1.00 0.52 C ATOM 71 O GLN A 7 13.521 -5.753 -3.197 1.00 0.61 O ATOM 72 CB GLN A 7 15.984 -4.253 -4.668 1.00 0.75 C ATOM 73 CG GLN A 7 15.536 -2.867 -5.118 1.00 1.58 C ATOM 74 CD GLN A 7 16.539 -1.783 -4.774 1.00 2.04 C ATOM 75 OE1 GLN A 7 16.438 -1.128 -3.737 1.00 2.40 O ATOM 76 NE2 GLN A 7 17.521 -1.592 -5.640 1.00 2.75 N ATOM 0 HA GLN A 7 15.438 -6.332 -4.752 1.00 0.61 H new ATOM 0 HB2 GLN A 7 16.118 -4.247 -3.586 1.00 0.75 H new ATOM 0 HB3 GLN A 7 16.957 -4.471 -5.109 1.00 0.75 H new ATOM 0 HG2 GLN A 7 15.373 -2.875 -6.196 1.00 1.58 H new ATOM 0 HG3 GLN A 7 14.579 -2.631 -4.652 1.00 1.58 H new ATOM 0 HE21 GLN A 7 17.570 -2.156 -6.489 1.00 2.75 H new ATOM 0 HE22 GLN A 7 18.229 -0.881 -5.459 1.00 2.75 H new ATOM 85 N PHE A 8 12.755 -4.471 -4.873 1.00 0.49 N ATOM 86 CA PHE A 8 11.460 -4.250 -4.245 1.00 0.45 C ATOM 87 C PHE A 8 10.601 -5.504 -4.363 1.00 0.44 C ATOM 88 O PHE A 8 9.953 -5.920 -3.404 1.00 0.42 O ATOM 89 CB PHE A 8 10.753 -3.055 -4.894 1.00 0.51 C ATOM 90 CG PHE A 8 9.456 -2.680 -4.234 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.448 -1.933 -3.067 1.00 0.89 C ATOM 92 CD2 PHE A 8 8.245 -3.068 -4.785 1.00 0.88 C ATOM 93 CE1 PHE A 8 8.255 -1.584 -2.461 1.00 0.91 C ATOM 94 CE2 PHE A 8 7.052 -2.722 -4.184 1.00 0.90 C ATOM 95 CZ PHE A 8 7.055 -1.977 -3.020 1.00 0.55 C ATOM 0 H PHE A 8 12.870 -4.016 -5.779 1.00 0.49 H new ATOM 0 HA PHE A 8 11.613 -4.029 -3.189 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.422 -2.195 -4.872 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.562 -3.284 -5.942 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.383 -1.620 -2.626 1.00 0.89 H new ATOM 0 HD2 PHE A 8 8.235 -3.648 -5.696 1.00 0.88 H new ATOM 0 HE1 PHE A 8 8.262 -1.004 -1.550 1.00 0.91 H new ATOM 0 HE2 PHE A 8 6.116 -3.033 -4.623 1.00 0.90 H new ATOM 0 HZ PHE A 8 6.122 -1.703 -2.549 1.00 0.55 H new ATOM 105 N THR A 9 10.623 -6.114 -5.539 1.00 0.50 N ATOM 106 CA THR A 9 9.851 -7.316 -5.802 1.00 0.56 C ATOM 107 C THR A 9 10.300 -8.474 -4.912 1.00 0.56 C ATOM 108 O THR A 9 9.476 -9.246 -4.419 1.00 0.60 O ATOM 109 CB THR A 9 9.986 -7.720 -7.279 1.00 0.67 C ATOM 110 OG1 THR A 9 10.441 -6.592 -8.042 1.00 0.76 O ATOM 111 CG2 THR A 9 8.654 -8.209 -7.832 1.00 0.86 C ATOM 0 H THR A 9 11.174 -5.790 -6.334 1.00 0.50 H new ATOM 0 HA THR A 9 8.808 -7.095 -5.577 1.00 0.56 H new ATOM 0 HB THR A 9 10.708 -8.533 -7.353 1.00 0.67 H new ATOM 0 HG1 THR A 9 10.529 -6.848 -8.984 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.775 -8.489 -8.878 1.00 0.86 H new ATOM 0 HG22 THR A 9 8.319 -9.075 -7.261 1.00 0.86 H new ATOM 0 HG23 THR A 9 7.913 -7.413 -7.753 1.00 0.86 H new ATOM 119 N THR A 10 11.608 -8.584 -4.698 1.00 0.57 N ATOM 120 CA THR A 10 12.152 -9.649 -3.867 1.00 0.63 C ATOM 121 C THR A 10 11.788 -9.430 -2.396 1.00 0.58 C ATOM 122 O THR A 10 11.732 -10.379 -1.614 1.00 0.66 O ATOM 123 CB THR A 10 13.689 -9.784 -4.037 1.00 0.71 C ATOM 124 OG1 THR A 10 14.100 -11.127 -3.750 1.00 1.42 O ATOM 125 CG2 THR A 10 14.449 -8.816 -3.135 1.00 1.31 C ATOM 0 H THR A 10 12.307 -7.951 -5.087 1.00 0.57 H new ATOM 0 HA THR A 10 11.702 -10.584 -4.200 1.00 0.63 H new ATOM 0 HB THR A 10 13.925 -9.536 -5.072 1.00 0.71 H new ATOM 0 HG1 THR A 10 15.071 -11.203 -3.861 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.521 -8.944 -3.286 1.00 1.31 H new ATOM 0 HG22 THR A 10 14.167 -7.792 -3.381 1.00 1.31 H new ATOM 0 HG23 THR A 10 14.202 -9.020 -2.093 1.00 1.31 H new ATOM 133 N LYS A 11 11.522 -8.177 -2.028 1.00 0.51 N ATOM 134 CA LYS A 11 11.151 -7.852 -0.658 1.00 0.50 C ATOM 135 C LYS A 11 9.745 -8.351 -0.368 1.00 0.48 C ATOM 136 O LYS A 11 9.463 -8.829 0.727 1.00 0.52 O ATOM 137 CB LYS A 11 11.238 -6.344 -0.407 1.00 0.50 C ATOM 138 CG LYS A 11 12.607 -5.882 0.064 1.00 0.59 C ATOM 139 CD LYS A 11 12.964 -6.477 1.418 1.00 0.80 C ATOM 140 CE LYS A 11 14.219 -5.839 1.991 1.00 1.06 C ATOM 141 NZ LYS A 11 14.679 -6.522 3.228 1.00 1.30 N ATOM 0 H LYS A 11 11.557 -7.376 -2.659 1.00 0.51 H new ATOM 0 HA LYS A 11 11.853 -8.348 0.013 1.00 0.50 H new ATOM 0 HB2 LYS A 11 10.982 -5.816 -1.326 1.00 0.50 H new ATOM 0 HB3 LYS A 11 10.494 -6.065 0.339 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.360 -6.168 -0.670 1.00 0.59 H new ATOM 0 HG3 LYS A 11 12.622 -4.794 0.129 1.00 0.59 H new ATOM 0 HD2 LYS A 11 12.134 -6.335 2.110 1.00 0.80 H new ATOM 0 HD3 LYS A 11 13.114 -7.552 1.317 1.00 0.80 H new ATOM 0 HE2 LYS A 11 15.013 -5.868 1.245 1.00 1.06 H new ATOM 0 HE3 LYS A 11 14.024 -4.789 2.208 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 15.537 -6.054 3.584 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 13.932 -6.472 3.950 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 14.890 -7.518 3.016 1.00 1.30 H new ATOM 155 N LEU A 12 8.876 -8.257 -1.370 1.00 0.47 N ATOM 156 CA LEU A 12 7.494 -8.709 -1.235 1.00 0.50 C ATOM 157 C LEU A 12 7.439 -10.227 -1.102 1.00 0.56 C ATOM 158 O LEU A 12 6.525 -10.779 -0.492 1.00 0.65 O ATOM 159 CB LEU A 12 6.667 -8.258 -2.445 1.00 0.54 C ATOM 160 CG LEU A 12 5.749 -7.055 -2.210 1.00 0.66 C ATOM 161 CD1 LEU A 12 4.698 -7.381 -1.160 1.00 1.57 C ATOM 162 CD2 LEU A 12 6.556 -5.834 -1.796 1.00 0.84 C ATOM 0 H LEU A 12 9.104 -7.871 -2.286 1.00 0.47 H new ATOM 0 HA LEU A 12 7.073 -8.264 -0.333 1.00 0.50 H new ATOM 0 HB2 LEU A 12 7.350 -8.017 -3.259 1.00 0.54 H new ATOM 0 HB3 LEU A 12 6.057 -9.098 -2.778 1.00 0.54 H new ATOM 0 HG LEU A 12 5.241 -6.827 -3.147 1.00 0.66 H new ATOM 0 HD11 LEU A 12 4.055 -6.514 -1.007 1.00 1.57 H new ATOM 0 HD12 LEU A 12 4.095 -8.224 -1.498 1.00 1.57 H new ATOM 0 HD13 LEU A 12 5.189 -7.639 -0.222 1.00 1.57 H new ATOM 0 HD21 LEU A 12 5.884 -4.991 -1.634 1.00 0.84 H new ATOM 0 HD22 LEU A 12 7.095 -6.050 -0.874 1.00 0.84 H new ATOM 0 HD23 LEU A 12 7.268 -5.584 -2.583 1.00 0.84 H new ATOM 174 N ASN A 13 8.442 -10.891 -1.661 1.00 0.60 N ATOM 175 CA ASN A 13 8.528 -12.346 -1.615 1.00 0.71 C ATOM 176 C ASN A 13 8.840 -12.818 -0.196 1.00 0.72 C ATOM 177 O ASN A 13 8.358 -13.860 0.249 1.00 0.87 O ATOM 178 CB ASN A 13 9.608 -12.838 -2.582 1.00 0.82 C ATOM 179 CG ASN A 13 9.353 -14.244 -3.092 1.00 1.14 C ATOM 180 OD1 ASN A 13 8.651 -15.033 -2.463 1.00 1.53 O ATOM 181 ND2 ASN A 13 9.931 -14.569 -4.238 1.00 1.59 N ATOM 0 H ASN A 13 9.213 -10.442 -2.155 1.00 0.60 H new ATOM 0 HA ASN A 13 7.566 -12.761 -1.915 1.00 0.71 H new ATOM 0 HB2 ASN A 13 9.667 -12.155 -3.430 1.00 0.82 H new ATOM 0 HB3 ASN A 13 10.576 -12.809 -2.082 1.00 0.82 H new ATOM 0 HD21 ASN A 13 9.801 -15.502 -4.628 1.00 1.59 H new ATOM 0 HD22 ASN A 13 10.507 -13.886 -4.731 1.00 1.59 H new ATOM 188 N THR A 14 9.630 -12.027 0.517 1.00 0.67 N ATOM 189 CA THR A 14 10.015 -12.352 1.883 1.00 0.74 C ATOM 190 C THR A 14 9.250 -11.475 2.877 1.00 0.68 C ATOM 191 O THR A 14 9.632 -11.349 4.043 1.00 0.81 O ATOM 192 CB THR A 14 11.543 -12.181 2.082 1.00 0.85 C ATOM 193 OG1 THR A 14 11.931 -12.612 3.392 1.00 1.63 O ATOM 194 CG2 THR A 14 11.967 -10.732 1.878 1.00 1.47 C ATOM 0 H THR A 14 10.019 -11.150 0.169 1.00 0.67 H new ATOM 0 HA THR A 14 9.760 -13.396 2.068 1.00 0.74 H new ATOM 0 HB THR A 14 12.042 -12.799 1.336 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.226 -12.385 4.033 1.00 1.63 H new ATOM 0 HG21 THR A 14 13.044 -10.644 2.024 1.00 1.47 H new ATOM 0 HG22 THR A 14 11.711 -10.417 0.866 1.00 1.47 H new ATOM 0 HG23 THR A 14 11.450 -10.097 2.597 1.00 1.47 H new ATOM 202 N LEU A 15 8.167 -10.868 2.401 1.00 0.61 N ATOM 203 CA LEU A 15 7.340 -10.003 3.231 1.00 0.61 C ATOM 204 C LEU A 15 6.603 -10.825 4.280 1.00 0.60 C ATOM 205 O LEU A 15 5.918 -11.800 3.961 1.00 0.71 O ATOM 206 CB LEU A 15 6.336 -9.236 2.361 1.00 0.65 C ATOM 207 CG LEU A 15 6.159 -7.745 2.687 1.00 0.73 C ATOM 208 CD1 LEU A 15 5.594 -7.558 4.083 1.00 1.10 C ATOM 209 CD2 LEU A 15 7.475 -6.994 2.542 1.00 0.88 C ATOM 0 H LEU A 15 7.842 -10.961 1.439 1.00 0.61 H new ATOM 0 HA LEU A 15 7.986 -9.286 3.738 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.646 -9.325 1.320 1.00 0.65 H new ATOM 0 HB3 LEU A 15 5.365 -9.724 2.447 1.00 0.65 H new ATOM 0 HG LEU A 15 5.449 -7.331 1.971 1.00 0.73 H new ATOM 0 HD11 LEU A 15 5.478 -6.494 4.289 1.00 1.10 H new ATOM 0 HD12 LEU A 15 4.623 -8.049 4.151 1.00 1.10 H new ATOM 0 HD13 LEU A 15 6.274 -7.997 4.813 1.00 1.10 H new ATOM 0 HD21 LEU A 15 7.321 -5.941 2.779 1.00 0.88 H new ATOM 0 HD22 LEU A 15 8.212 -7.416 3.226 1.00 0.88 H new ATOM 0 HD23 LEU A 15 7.836 -7.087 1.518 1.00 0.88 H new ATOM 221 N GLU A 16 6.749 -10.422 5.528 1.00 0.65 N ATOM 222 CA GLU A 16 6.112 -11.103 6.640 1.00 0.72 C ATOM 223 C GLU A 16 5.097 -10.172 7.295 1.00 0.70 C ATOM 224 O GLU A 16 5.258 -8.950 7.252 1.00 0.70 O ATOM 225 CB GLU A 16 7.179 -11.534 7.653 1.00 0.83 C ATOM 226 CG GLU A 16 6.670 -12.475 8.735 1.00 1.28 C ATOM 227 CD GLU A 16 7.674 -12.672 9.850 1.00 1.56 C ATOM 228 OE1 GLU A 16 8.888 -12.754 9.563 1.00 2.16 O ATOM 229 OE2 GLU A 16 7.252 -12.749 11.021 1.00 2.16 O ATOM 0 H GLU A 16 7.311 -9.615 5.800 1.00 0.65 H new ATOM 0 HA GLU A 16 5.591 -11.990 6.280 1.00 0.72 H new ATOM 0 HB2 GLU A 16 7.995 -12.021 7.119 1.00 0.83 H new ATOM 0 HB3 GLU A 16 7.594 -10.644 8.127 1.00 0.83 H new ATOM 0 HG2 GLU A 16 5.743 -12.079 9.150 1.00 1.28 H new ATOM 0 HG3 GLU A 16 6.432 -13.441 8.290 1.00 1.28 H new ATOM 236 N ASP A 17 4.061 -10.741 7.902 1.00 0.77 N ATOM 237 CA ASP A 17 3.027 -9.948 8.565 1.00 0.82 C ATOM 238 C ASP A 17 3.485 -9.495 9.954 1.00 0.79 C ATOM 239 O ASP A 17 2.712 -9.485 10.917 1.00 1.05 O ATOM 240 CB ASP A 17 1.710 -10.737 8.654 1.00 1.00 C ATOM 241 CG ASP A 17 1.828 -12.027 9.446 1.00 1.27 C ATOM 242 OD1 ASP A 17 2.577 -12.932 9.021 1.00 1.78 O ATOM 243 OD2 ASP A 17 1.160 -12.144 10.495 1.00 1.94 O ATOM 0 H ASP A 17 3.913 -11.749 7.950 1.00 0.77 H new ATOM 0 HA ASP A 17 2.851 -9.056 7.964 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.949 -10.107 9.113 1.00 1.00 H new ATOM 0 HB3 ASP A 17 1.366 -10.969 7.646 1.00 1.00 H new ATOM 248 N SER A 18 4.748 -9.103 10.040 1.00 0.74 N ATOM 249 CA SER A 18 5.336 -8.635 11.282 1.00 0.75 C ATOM 250 C SER A 18 5.539 -7.134 11.228 1.00 0.69 C ATOM 251 O SER A 18 5.826 -6.576 10.168 1.00 0.78 O ATOM 252 CB SER A 18 6.679 -9.316 11.528 1.00 0.84 C ATOM 253 OG SER A 18 6.508 -10.569 12.150 1.00 1.61 O ATOM 0 H SER A 18 5.392 -9.101 9.249 1.00 0.74 H new ATOM 0 HA SER A 18 4.656 -8.882 12.097 1.00 0.75 H new ATOM 0 HB2 SER A 18 7.203 -9.445 10.581 1.00 0.84 H new ATOM 0 HB3 SER A 18 7.304 -8.679 12.154 1.00 0.84 H new ATOM 0 HG SER A 18 7.167 -11.202 11.797 1.00 1.61 H new ATOM 259 N GLN A 19 5.399 -6.486 12.375 1.00 0.76 N ATOM 260 CA GLN A 19 5.576 -5.043 12.462 1.00 0.79 C ATOM 261 C GLN A 19 7.006 -4.668 12.106 1.00 0.73 C ATOM 262 O GLN A 19 7.256 -3.611 11.526 1.00 0.73 O ATOM 263 CB GLN A 19 5.222 -4.532 13.861 1.00 1.04 C ATOM 264 CG GLN A 19 5.822 -5.353 14.994 1.00 1.45 C ATOM 265 CD GLN A 19 4.902 -6.466 15.449 1.00 2.07 C ATOM 266 OE1 GLN A 19 4.971 -7.589 14.946 1.00 2.64 O ATOM 267 NE2 GLN A 19 4.025 -6.158 16.386 1.00 2.54 N ATOM 0 H GLN A 19 5.163 -6.936 13.259 1.00 0.76 H new ATOM 0 HA GLN A 19 4.900 -4.571 11.749 1.00 0.79 H new ATOM 0 HB2 GLN A 19 5.561 -3.500 13.956 1.00 1.04 H new ATOM 0 HB3 GLN A 19 4.137 -4.522 13.969 1.00 1.04 H new ATOM 0 HG2 GLN A 19 6.770 -5.780 14.667 1.00 1.45 H new ATOM 0 HG3 GLN A 19 6.041 -4.698 15.837 1.00 1.45 H new ATOM 0 HE21 GLN A 19 4.004 -5.215 16.774 1.00 2.54 H new ATOM 0 HE22 GLN A 19 3.369 -6.863 16.722 1.00 2.54 H new ATOM 276 N GLU A 20 7.941 -5.548 12.443 1.00 0.80 N ATOM 277 CA GLU A 20 9.347 -5.319 12.149 1.00 0.87 C ATOM 278 C GLU A 20 9.570 -5.338 10.641 1.00 0.75 C ATOM 279 O GLU A 20 10.162 -4.420 10.085 1.00 0.80 O ATOM 280 CB GLU A 20 10.211 -6.387 12.826 1.00 1.09 C ATOM 281 CG GLU A 20 11.676 -6.000 12.964 1.00 1.59 C ATOM 282 CD GLU A 20 12.476 -6.242 11.699 1.00 2.23 C ATOM 283 OE1 GLU A 20 12.390 -7.354 11.135 1.00 2.69 O ATOM 284 OE2 GLU A 20 13.202 -5.323 11.267 1.00 2.99 O ATOM 0 H GLU A 20 7.749 -6.428 12.921 1.00 0.80 H new ATOM 0 HA GLU A 20 9.636 -4.342 12.538 1.00 0.87 H new ATOM 0 HB2 GLU A 20 9.805 -6.594 13.816 1.00 1.09 H new ATOM 0 HB3 GLU A 20 10.142 -7.312 12.254 1.00 1.09 H new ATOM 0 HG2 GLU A 20 11.743 -4.946 13.234 1.00 1.59 H new ATOM 0 HG3 GLU A 20 12.120 -6.567 13.782 1.00 1.59 H new ATOM 291 N SER A 21 9.055 -6.374 9.992 1.00 0.69 N ATOM 292 CA SER A 21 9.197 -6.540 8.553 1.00 0.67 C ATOM 293 C SER A 21 8.655 -5.334 7.787 1.00 0.54 C ATOM 294 O SER A 21 9.333 -4.792 6.911 1.00 0.58 O ATOM 295 CB SER A 21 8.469 -7.810 8.117 1.00 0.74 C ATOM 296 OG SER A 21 8.575 -8.809 9.117 1.00 1.10 O ATOM 0 H SER A 21 8.529 -7.120 10.447 1.00 0.69 H new ATOM 0 HA SER A 21 10.259 -6.622 8.322 1.00 0.67 H new ATOM 0 HB2 SER A 21 7.419 -7.588 7.926 1.00 0.74 H new ATOM 0 HB3 SER A 21 8.892 -8.176 7.182 1.00 0.74 H new ATOM 0 HG SER A 21 9.232 -9.481 8.839 1.00 1.10 H new ATOM 302 N ILE A 22 7.444 -4.906 8.131 1.00 0.47 N ATOM 303 CA ILE A 22 6.822 -3.768 7.462 1.00 0.42 C ATOM 304 C ILE A 22 7.614 -2.482 7.717 1.00 0.42 C ATOM 305 O ILE A 22 7.889 -1.722 6.790 1.00 0.42 O ATOM 306 CB ILE A 22 5.357 -3.557 7.913 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.595 -4.888 7.940 1.00 0.53 C ATOM 308 CG2 ILE A 22 4.659 -2.569 6.987 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.280 -5.449 6.570 1.00 0.88 C ATOM 0 H ILE A 22 6.876 -5.328 8.866 1.00 0.47 H new ATOM 0 HA ILE A 22 6.826 -3.996 6.396 1.00 0.42 H new ATOM 0 HB ILE A 22 5.366 -3.149 8.924 1.00 0.47 H new ATOM 0 HG12 ILE A 22 5.183 -5.620 8.494 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.662 -4.749 8.487 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.629 -2.429 7.315 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.182 -1.613 7.014 1.00 0.54 H new ATOM 0 HG23 ILE A 22 4.666 -2.957 5.969 1.00 0.54 H new ATOM 0 HD11 ILE A 22 3.741 -6.390 6.677 1.00 0.88 H new ATOM 0 HD12 ILE A 22 3.664 -4.739 6.019 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.208 -5.623 6.026 1.00 0.88 H new ATOM 321 N SER A 23 7.996 -2.254 8.972 1.00 0.46 N ATOM 322 CA SER A 23 8.749 -1.057 9.338 1.00 0.50 C ATOM 323 C SER A 23 10.147 -1.051 8.714 1.00 0.49 C ATOM 324 O SER A 23 10.629 -0.008 8.269 1.00 0.55 O ATOM 325 CB SER A 23 8.848 -0.943 10.860 1.00 0.59 C ATOM 326 OG SER A 23 7.554 -0.895 11.441 1.00 1.18 O ATOM 0 H SER A 23 7.797 -2.881 9.751 1.00 0.46 H new ATOM 0 HA SER A 23 8.211 -0.194 8.946 1.00 0.50 H new ATOM 0 HB2 SER A 23 9.401 -1.794 11.259 1.00 0.59 H new ATOM 0 HB3 SER A 23 9.407 -0.046 11.128 1.00 0.59 H new ATOM 0 HG SER A 23 7.221 -1.807 11.573 1.00 1.18 H new ATOM 332 N SER A 24 10.786 -2.214 8.682 1.00 0.50 N ATOM 333 CA SER A 24 12.117 -2.348 8.104 1.00 0.54 C ATOM 334 C SER A 24 12.096 -1.936 6.634 1.00 0.50 C ATOM 335 O SER A 24 12.938 -1.158 6.179 1.00 0.67 O ATOM 336 CB SER A 24 12.610 -3.793 8.243 1.00 0.62 C ATOM 337 OG SER A 24 13.978 -3.912 7.889 1.00 1.16 O ATOM 0 H SER A 24 10.401 -3.083 9.052 1.00 0.50 H new ATOM 0 HA SER A 24 12.801 -1.692 8.641 1.00 0.54 H new ATOM 0 HB2 SER A 24 12.468 -4.130 9.270 1.00 0.62 H new ATOM 0 HB3 SER A 24 12.011 -4.446 7.608 1.00 0.62 H new ATOM 0 HG SER A 24 14.262 -4.844 7.990 1.00 1.16 H new ATOM 343 N ALA A 25 11.114 -2.447 5.901 1.00 0.42 N ATOM 344 CA ALA A 25 10.978 -2.133 4.488 1.00 0.40 C ATOM 345 C ALA A 25 10.539 -0.687 4.295 1.00 0.36 C ATOM 346 O ALA A 25 10.943 -0.032 3.338 1.00 0.37 O ATOM 347 CB ALA A 25 9.997 -3.088 3.828 1.00 0.45 C ATOM 0 H ALA A 25 10.401 -3.080 6.264 1.00 0.42 H new ATOM 0 HA ALA A 25 11.951 -2.254 4.012 1.00 0.40 H new ATOM 0 HB1 ALA A 25 9.905 -2.841 2.770 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.359 -4.111 3.932 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.022 -2.998 4.308 1.00 0.45 H new ATOM 353 N SER A 26 9.724 -0.195 5.218 1.00 0.36 N ATOM 354 CA SER A 26 9.237 1.177 5.163 1.00 0.37 C ATOM 355 C SER A 26 10.408 2.155 5.180 1.00 0.36 C ATOM 356 O SER A 26 10.529 3.011 4.302 1.00 0.37 O ATOM 357 CB SER A 26 8.299 1.451 6.343 1.00 0.46 C ATOM 358 OG SER A 26 7.732 2.747 6.270 1.00 1.32 O ATOM 0 H SER A 26 9.385 -0.729 6.018 1.00 0.36 H new ATOM 0 HA SER A 26 8.682 1.315 4.235 1.00 0.37 H new ATOM 0 HB2 SER A 26 7.504 0.706 6.357 1.00 0.46 H new ATOM 0 HB3 SER A 26 8.850 1.347 7.278 1.00 0.46 H new ATOM 0 HG SER A 26 7.008 2.825 6.926 1.00 1.32 H new ATOM 364 N LYS A 27 11.285 2.000 6.167 1.00 0.39 N ATOM 365 CA LYS A 27 12.453 2.860 6.295 1.00 0.44 C ATOM 366 C LYS A 27 13.366 2.696 5.091 1.00 0.39 C ATOM 367 O LYS A 27 13.944 3.663 4.599 1.00 0.45 O ATOM 368 CB LYS A 27 13.219 2.528 7.574 1.00 0.53 C ATOM 369 CG LYS A 27 12.574 3.076 8.836 1.00 0.90 C ATOM 370 CD LYS A 27 12.558 4.596 8.835 1.00 1.41 C ATOM 371 CE LYS A 27 12.543 5.155 10.247 1.00 1.90 C ATOM 372 NZ LYS A 27 13.697 4.661 11.041 1.00 2.38 N ATOM 0 H LYS A 27 11.207 1.285 6.890 1.00 0.39 H new ATOM 0 HA LYS A 27 12.114 3.895 6.343 1.00 0.44 H new ATOM 0 HB2 LYS A 27 13.307 1.445 7.663 1.00 0.53 H new ATOM 0 HB3 LYS A 27 14.231 2.924 7.493 1.00 0.53 H new ATOM 0 HG2 LYS A 27 11.554 2.700 8.918 1.00 0.90 H new ATOM 0 HG3 LYS A 27 13.118 2.717 9.710 1.00 0.90 H new ATOM 0 HD2 LYS A 27 13.434 4.969 8.304 1.00 1.41 H new ATOM 0 HD3 LYS A 27 11.681 4.951 8.293 1.00 1.41 H new ATOM 0 HE2 LYS A 27 12.566 6.244 10.208 1.00 1.90 H new ATOM 0 HE3 LYS A 27 11.613 4.873 10.741 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 13.975 5.383 11.736 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 13.428 3.788 11.538 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 14.497 4.466 10.406 1.00 2.38 H new ATOM 386 N TRP A 28 13.472 1.462 4.619 1.00 0.36 N ATOM 387 CA TRP A 28 14.300 1.141 3.466 1.00 0.38 C ATOM 388 C TRP A 28 13.798 1.885 2.229 1.00 0.35 C ATOM 389 O TRP A 28 14.585 2.376 1.417 1.00 0.43 O ATOM 390 CB TRP A 28 14.277 -0.370 3.235 1.00 0.42 C ATOM 391 CG TRP A 28 15.233 -0.848 2.189 1.00 0.54 C ATOM 392 CD1 TRP A 28 16.592 -0.723 2.194 1.00 0.73 C ATOM 393 CD2 TRP A 28 14.897 -1.549 0.989 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.120 -1.304 1.066 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.098 -1.815 0.310 1.00 0.79 C ATOM 396 CE3 TRP A 28 13.692 -1.970 0.421 1.00 0.70 C ATOM 397 CZ2 TRP A 28 16.128 -2.492 -0.905 1.00 0.94 C ATOM 398 CZ3 TRP A 28 13.723 -2.640 -0.783 1.00 0.89 C ATOM 399 CH2 TRP A 28 14.931 -2.894 -1.436 1.00 0.98 C ATOM 0 H TRP A 28 12.989 0.659 5.022 1.00 0.36 H new ATOM 0 HA TRP A 28 15.326 1.457 3.655 1.00 0.38 H new ATOM 0 HB2 TRP A 28 14.504 -0.873 4.175 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.267 -0.667 2.951 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.167 -0.239 2.969 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.111 -1.348 0.830 1.00 0.86 H new ATOM 0 HE3 TRP A 28 12.753 -1.774 0.917 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 17.061 -2.693 -1.411 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 12.798 -2.974 -1.229 1.00 0.89 H new ATOM 0 HH2 TRP A 28 14.921 -3.419 -2.380 1.00 0.98 H new ATOM 410 N LEU A 29 12.480 1.972 2.105 1.00 0.32 N ATOM 411 CA LEU A 29 11.854 2.665 0.988 1.00 0.35 C ATOM 412 C LEU A 29 11.988 4.174 1.153 1.00 0.36 C ATOM 413 O LEU A 29 12.292 4.884 0.197 1.00 0.39 O ATOM 414 CB LEU A 29 10.372 2.286 0.885 1.00 0.41 C ATOM 415 CG LEU A 29 10.025 1.244 -0.184 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.473 1.712 -1.558 1.00 1.10 C ATOM 417 CD2 LEU A 29 10.650 -0.100 0.153 1.00 1.30 C ATOM 0 H LEU A 29 11.820 1.568 2.770 1.00 0.32 H new ATOM 0 HA LEU A 29 12.362 2.363 0.072 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.044 1.909 1.854 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.798 3.190 0.684 1.00 0.41 H new ATOM 0 HG LEU A 29 8.942 1.123 -0.201 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.217 0.957 -2.301 1.00 1.10 H new ATOM 0 HD12 LEU A 29 9.972 2.648 -1.805 1.00 1.10 H new ATOM 0 HD13 LEU A 29 11.552 1.867 -1.556 1.00 1.10 H new ATOM 0 HD21 LEU A 29 10.391 -0.825 -0.618 1.00 1.30 H new ATOM 0 HD22 LEU A 29 11.734 0.005 0.203 1.00 1.30 H new ATOM 0 HD23 LEU A 29 10.274 -0.445 1.116 1.00 1.30 H new ATOM 429 N LEU A 30 11.779 4.650 2.379 1.00 0.38 N ATOM 430 CA LEU A 30 11.869 6.076 2.687 1.00 0.44 C ATOM 431 C LEU A 30 13.258 6.631 2.378 1.00 0.48 C ATOM 432 O LEU A 30 13.422 7.835 2.165 1.00 0.60 O ATOM 433 CB LEU A 30 11.520 6.328 4.158 1.00 0.51 C ATOM 434 CG LEU A 30 10.147 6.968 4.399 1.00 0.72 C ATOM 435 CD1 LEU A 30 9.029 6.064 3.899 1.00 1.06 C ATOM 436 CD2 LEU A 30 9.958 7.277 5.876 1.00 1.00 C ATOM 0 H LEU A 30 11.545 4.064 3.180 1.00 0.38 H new ATOM 0 HA LEU A 30 11.150 6.595 2.053 1.00 0.44 H new ATOM 0 HB2 LEU A 30 11.561 5.379 4.693 1.00 0.51 H new ATOM 0 HB3 LEU A 30 12.285 6.972 4.592 1.00 0.51 H new ATOM 0 HG LEU A 30 10.105 7.902 3.838 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.066 6.541 4.082 1.00 1.06 H new ATOM 0 HD12 LEU A 30 9.151 5.891 2.830 1.00 1.06 H new ATOM 0 HD13 LEU A 30 9.068 5.111 4.427 1.00 1.06 H new ATOM 0 HD21 LEU A 30 8.979 7.731 6.030 1.00 1.00 H new ATOM 0 HD22 LEU A 30 10.025 6.354 6.452 1.00 1.00 H new ATOM 0 HD23 LEU A 30 10.734 7.968 6.205 1.00 1.00 H new ATOM 448 N LEU A 31 14.255 5.754 2.360 1.00 0.45 N ATOM 449 CA LEU A 31 15.622 6.157 2.064 1.00 0.53 C ATOM 450 C LEU A 31 15.794 6.409 0.567 1.00 0.54 C ATOM 451 O LEU A 31 16.565 7.278 0.160 1.00 0.70 O ATOM 452 CB LEU A 31 16.614 5.089 2.538 1.00 0.58 C ATOM 453 CG LEU A 31 16.741 4.952 4.057 1.00 1.12 C ATOM 454 CD1 LEU A 31 17.492 3.679 4.420 1.00 1.59 C ATOM 455 CD2 LEU A 31 17.443 6.166 4.649 1.00 1.71 C ATOM 0 H LEU A 31 14.141 4.758 2.547 1.00 0.45 H new ATOM 0 HA LEU A 31 15.828 7.084 2.600 1.00 0.53 H new ATOM 0 HB2 LEU A 31 16.313 4.126 2.126 1.00 0.58 H new ATOM 0 HB3 LEU A 31 17.597 5.319 2.126 1.00 0.58 H new ATOM 0 HG LEU A 31 15.737 4.894 4.478 1.00 1.12 H new ATOM 0 HD11 LEU A 31 17.572 3.600 5.504 1.00 1.59 H new ATOM 0 HD12 LEU A 31 16.952 2.815 4.032 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.491 3.709 3.984 1.00 1.59 H new ATOM 0 HD21 LEU A 31 17.523 6.049 5.730 1.00 1.71 H new ATOM 0 HD22 LEU A 31 18.440 6.255 4.219 1.00 1.71 H new ATOM 0 HD23 LEU A 31 16.869 7.064 4.423 1.00 1.71 H new ATOM 467 N GLN A 32 15.052 5.666 -0.246 1.00 0.49 N ATOM 468 CA GLN A 32 15.123 5.812 -1.695 1.00 0.56 C ATOM 469 C GLN A 32 13.912 6.592 -2.206 1.00 0.48 C ATOM 470 O GLN A 32 13.260 6.207 -3.176 1.00 0.53 O ATOM 471 CB GLN A 32 15.226 4.437 -2.380 1.00 0.69 C ATOM 472 CG GLN A 32 14.119 3.463 -2.005 1.00 0.80 C ATOM 473 CD GLN A 32 14.330 2.084 -2.603 1.00 1.09 C ATOM 474 OE1 GLN A 32 13.925 1.817 -3.731 1.00 1.51 O ATOM 475 NE2 GLN A 32 14.963 1.198 -1.849 1.00 1.25 N ATOM 0 H GLN A 32 14.394 4.956 0.074 1.00 0.49 H new ATOM 0 HA GLN A 32 16.023 6.374 -1.944 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.216 4.581 -3.460 1.00 0.69 H new ATOM 0 HB3 GLN A 32 16.187 3.990 -2.127 1.00 0.69 H new ATOM 0 HG2 GLN A 32 14.065 3.380 -0.920 1.00 0.80 H new ATOM 0 HG3 GLN A 32 13.161 3.859 -2.343 1.00 0.80 H new ATOM 0 HE21 GLN A 32 15.284 1.459 -0.917 1.00 1.25 H new ATOM 0 HE22 GLN A 32 15.129 0.255 -2.201 1.00 1.25 H new ATOM 484 N TYR A 33 13.639 7.713 -1.545 1.00 0.47 N ATOM 485 CA TYR A 33 12.511 8.581 -1.886 1.00 0.47 C ATOM 486 C TYR A 33 12.579 9.071 -3.335 1.00 0.46 C ATOM 487 O TYR A 33 11.562 9.430 -3.925 1.00 0.50 O ATOM 488 CB TYR A 33 12.459 9.779 -0.928 1.00 0.57 C ATOM 489 CG TYR A 33 13.770 10.531 -0.807 1.00 0.70 C ATOM 490 CD1 TYR A 33 14.714 10.168 0.148 1.00 1.35 C ATOM 491 CD2 TYR A 33 14.066 11.594 -1.649 1.00 1.41 C ATOM 492 CE1 TYR A 33 15.914 10.845 0.257 1.00 1.55 C ATOM 493 CE2 TYR A 33 15.264 12.273 -1.547 1.00 1.59 C ATOM 494 CZ TYR A 33 16.185 11.896 -0.594 1.00 1.27 C ATOM 495 OH TYR A 33 17.380 12.572 -0.493 1.00 1.61 O ATOM 0 H TYR A 33 14.193 8.048 -0.757 1.00 0.47 H new ATOM 0 HA TYR A 33 11.601 7.990 -1.782 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.687 10.469 -1.268 1.00 0.57 H new ATOM 0 HB3 TYR A 33 12.161 9.428 0.060 1.00 0.57 H new ATOM 0 HD1 TYR A 33 14.506 9.344 0.815 1.00 1.35 H new ATOM 0 HD2 TYR A 33 13.347 11.895 -2.397 1.00 1.41 H new ATOM 0 HE1 TYR A 33 16.636 10.552 1.005 1.00 1.55 H new ATOM 0 HE2 TYR A 33 15.478 13.097 -2.212 1.00 1.59 H new ATOM 0 HH TYR A 33 17.412 13.283 -1.167 1.00 1.61 H new ATOM 505 N ARG A 34 13.780 9.078 -3.903 1.00 0.47 N ATOM 506 CA ARG A 34 13.975 9.525 -5.279 1.00 0.53 C ATOM 507 C ARG A 34 13.411 8.511 -6.273 1.00 0.48 C ATOM 508 O ARG A 34 13.155 8.837 -7.433 1.00 0.56 O ATOM 509 CB ARG A 34 15.462 9.743 -5.554 1.00 0.64 C ATOM 510 CG ARG A 34 16.006 11.056 -5.018 1.00 1.12 C ATOM 511 CD ARG A 34 17.528 11.081 -5.055 1.00 1.55 C ATOM 512 NE ARG A 34 18.060 10.482 -6.280 1.00 2.28 N ATOM 513 CZ ARG A 34 18.705 9.313 -6.325 1.00 2.92 C ATOM 514 NH1 ARG A 34 18.878 8.603 -5.216 1.00 2.94 N ATOM 515 NH2 ARG A 34 19.168 8.852 -7.479 1.00 3.97 N ATOM 0 H ARG A 34 14.634 8.779 -3.432 1.00 0.47 H new ATOM 0 HA ARG A 34 13.440 10.466 -5.406 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.026 8.921 -5.113 1.00 0.64 H new ATOM 0 HB3 ARG A 34 15.631 9.704 -6.630 1.00 0.64 H new ATOM 0 HG2 ARG A 34 15.612 11.883 -5.608 1.00 1.12 H new ATOM 0 HG3 ARG A 34 15.663 11.203 -3.994 1.00 1.12 H new ATOM 0 HD2 ARG A 34 17.875 12.111 -4.976 1.00 1.55 H new ATOM 0 HD3 ARG A 34 17.920 10.545 -4.190 1.00 1.55 H new ATOM 0 HE ARG A 34 17.930 10.990 -7.155 1.00 2.28 H new ATOM 0 HH11 ARG A 34 18.518 8.950 -4.327 1.00 2.94 H new ATOM 0 HH12 ARG A 34 19.371 7.711 -5.253 1.00 2.94 H new ATOM 0 HH21 ARG A 34 19.032 9.390 -8.335 1.00 3.97 H new ATOM 0 HH22 ARG A 34 19.660 7.959 -7.511 1.00 3.97 H new ATOM 529 N ASP A 35 13.209 7.284 -5.813 1.00 0.46 N ATOM 530 CA ASP A 35 12.685 6.224 -6.664 1.00 0.50 C ATOM 531 C ASP A 35 11.233 5.923 -6.321 1.00 0.41 C ATOM 532 O ASP A 35 10.717 4.849 -6.636 1.00 0.38 O ATOM 533 CB ASP A 35 13.533 4.960 -6.527 1.00 0.68 C ATOM 534 CG ASP A 35 14.233 4.599 -7.821 1.00 1.04 C ATOM 535 OD1 ASP A 35 13.943 5.229 -8.861 1.00 1.58 O ATOM 536 OD2 ASP A 35 15.087 3.685 -7.808 1.00 1.70 O ATOM 0 H ASP A 35 13.400 6.997 -4.853 1.00 0.46 H new ATOM 0 HA ASP A 35 12.730 6.566 -7.698 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.275 5.106 -5.742 1.00 0.68 H new ATOM 0 HB3 ASP A 35 12.898 4.130 -6.215 1.00 0.68 H new ATOM 541 N ALA A 36 10.579 6.899 -5.695 1.00 0.40 N ATOM 542 CA ALA A 36 9.178 6.778 -5.295 1.00 0.37 C ATOM 543 C ALA A 36 8.270 6.349 -6.456 1.00 0.32 C ATOM 544 O ALA A 36 7.474 5.425 -6.297 1.00 0.33 O ATOM 545 CB ALA A 36 8.687 8.085 -4.684 1.00 0.43 C ATOM 0 H ALA A 36 11.003 7.794 -5.451 1.00 0.40 H new ATOM 0 HA ALA A 36 9.125 5.989 -4.544 1.00 0.37 H new ATOM 0 HB1 ALA A 36 7.642 7.980 -4.391 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.288 8.325 -3.807 1.00 0.43 H new ATOM 0 HB3 ALA A 36 8.779 8.887 -5.417 1.00 0.43 H new ATOM 551 N PRO A 37 8.349 7.003 -7.639 1.00 0.35 N ATOM 552 CA PRO A 37 7.508 6.628 -8.781 1.00 0.37 C ATOM 553 C PRO A 37 7.825 5.231 -9.315 1.00 0.35 C ATOM 554 O PRO A 37 6.925 4.506 -9.732 1.00 0.42 O ATOM 555 CB PRO A 37 7.828 7.692 -9.837 1.00 0.46 C ATOM 556 CG PRO A 37 9.165 8.224 -9.457 1.00 0.50 C ATOM 557 CD PRO A 37 9.220 8.158 -7.960 1.00 0.42 C ATOM 0 HA PRO A 37 6.454 6.590 -8.504 1.00 0.37 H new ATOM 0 HB2 PRO A 37 7.845 7.261 -10.838 1.00 0.46 H new ATOM 0 HB3 PRO A 37 7.076 8.481 -9.842 1.00 0.46 H new ATOM 0 HG2 PRO A 37 9.963 7.632 -9.904 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.293 9.248 -9.808 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.238 8.007 -7.601 1.00 0.42 H new ATOM 0 HD3 PRO A 37 8.854 9.077 -7.503 1.00 0.42 H new ATOM 565 N LYS A 38 9.097 4.845 -9.263 1.00 0.34 N ATOM 566 CA LYS A 38 9.524 3.541 -9.763 1.00 0.36 C ATOM 567 C LYS A 38 8.950 2.401 -8.927 1.00 0.34 C ATOM 568 O LYS A 38 8.425 1.426 -9.469 1.00 0.39 O ATOM 569 CB LYS A 38 11.050 3.444 -9.785 1.00 0.41 C ATOM 570 CG LYS A 38 11.564 2.089 -10.254 1.00 0.60 C ATOM 571 CD LYS A 38 13.046 1.914 -9.967 1.00 1.32 C ATOM 572 CE LYS A 38 13.897 2.749 -10.909 1.00 2.00 C ATOM 573 NZ LYS A 38 15.274 2.932 -10.389 1.00 2.78 N ATOM 0 H LYS A 38 9.850 5.416 -8.880 1.00 0.34 H new ATOM 0 HA LYS A 38 9.142 3.445 -10.779 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.447 4.221 -10.439 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.434 3.643 -8.784 1.00 0.41 H new ATOM 0 HG2 LYS A 38 11.002 1.297 -9.759 1.00 0.60 H new ATOM 0 HG3 LYS A 38 11.387 1.984 -11.324 1.00 0.60 H new ATOM 0 HD2 LYS A 38 13.254 2.200 -8.936 1.00 1.32 H new ATOM 0 HD3 LYS A 38 13.316 0.863 -10.067 1.00 1.32 H new ATOM 0 HE2 LYS A 38 13.938 2.267 -11.886 1.00 2.00 H new ATOM 0 HE3 LYS A 38 13.430 3.723 -11.054 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 15.652 3.843 -10.720 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 15.257 2.921 -9.349 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 15.880 2.160 -10.733 1.00 2.78 H new ATOM 587 N VAL A 39 9.046 2.521 -7.613 1.00 0.31 N ATOM 588 CA VAL A 39 8.539 1.480 -6.731 1.00 0.31 C ATOM 589 C VAL A 39 7.013 1.487 -6.695 1.00 0.29 C ATOM 590 O VAL A 39 6.388 0.474 -6.396 1.00 0.31 O ATOM 591 CB VAL A 39 9.107 1.603 -5.301 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.615 1.401 -5.310 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.752 2.943 -4.679 1.00 0.33 C ATOM 0 H VAL A 39 9.465 3.319 -7.136 1.00 0.31 H new ATOM 0 HA VAL A 39 8.877 0.528 -7.141 1.00 0.31 H new ATOM 0 HB VAL A 39 8.653 0.822 -4.691 1.00 0.34 H new ATOM 0 HG11 VAL A 39 11.000 1.491 -4.294 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.847 0.410 -5.700 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.080 2.157 -5.942 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.167 2.998 -3.672 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.166 3.747 -5.287 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.668 3.046 -4.631 1.00 0.33 H new ATOM 603 N ALA A 40 6.421 2.626 -7.026 1.00 0.27 N ATOM 604 CA ALA A 40 4.971 2.759 -7.036 1.00 0.28 C ATOM 605 C ALA A 40 4.359 1.997 -8.209 1.00 0.28 C ATOM 606 O ALA A 40 3.432 1.207 -8.030 1.00 0.29 O ATOM 607 CB ALA A 40 4.570 4.225 -7.095 1.00 0.32 C ATOM 0 H ALA A 40 6.924 3.473 -7.292 1.00 0.27 H new ATOM 0 HA ALA A 40 4.588 2.327 -6.111 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.483 4.305 -7.102 1.00 0.32 H new ATOM 0 HB2 ALA A 40 4.967 4.746 -6.224 1.00 0.32 H new ATOM 0 HB3 ALA A 40 4.973 4.676 -8.002 1.00 0.32 H new ATOM 613 N GLU A 41 4.893 2.228 -9.407 1.00 0.31 N ATOM 614 CA GLU A 41 4.388 1.566 -10.609 1.00 0.36 C ATOM 615 C GLU A 41 4.589 0.054 -10.535 1.00 0.35 C ATOM 616 O GLU A 41 3.677 -0.712 -10.852 1.00 0.38 O ATOM 617 CB GLU A 41 5.058 2.128 -11.869 1.00 0.44 C ATOM 618 CG GLU A 41 6.566 2.251 -11.758 1.00 0.52 C ATOM 619 CD GLU A 41 7.240 2.459 -13.095 1.00 0.74 C ATOM 620 OE1 GLU A 41 6.936 3.463 -13.771 1.00 1.40 O ATOM 621 OE2 GLU A 41 8.082 1.618 -13.477 1.00 1.37 O ATOM 0 H GLU A 41 5.672 2.866 -9.571 1.00 0.31 H new ATOM 0 HA GLU A 41 3.318 1.766 -10.666 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.817 1.485 -12.715 1.00 0.44 H new ATOM 0 HB3 GLU A 41 4.638 3.110 -12.085 1.00 0.44 H new ATOM 0 HG2 GLU A 41 6.810 3.085 -11.100 1.00 0.52 H new ATOM 0 HG3 GLU A 41 6.965 1.350 -11.292 1.00 0.52 H new ATOM 628 N MET A 42 5.773 -0.375 -10.097 1.00 0.35 N ATOM 629 CA MET A 42 6.075 -1.801 -9.996 1.00 0.40 C ATOM 630 C MET A 42 5.200 -2.470 -8.938 1.00 0.35 C ATOM 631 O MET A 42 4.824 -3.633 -9.083 1.00 0.35 O ATOM 632 CB MET A 42 7.565 -2.033 -9.706 1.00 0.51 C ATOM 633 CG MET A 42 7.975 -1.796 -8.262 1.00 1.09 C ATOM 634 SD MET A 42 9.762 -1.632 -8.066 1.00 0.98 S ATOM 635 CE MET A 42 10.328 -3.218 -8.681 1.00 1.51 C ATOM 0 H MET A 42 6.533 0.241 -9.808 1.00 0.35 H new ATOM 0 HA MET A 42 5.849 -2.259 -10.959 1.00 0.40 H new ATOM 0 HB2 MET A 42 7.819 -3.057 -9.978 1.00 0.51 H new ATOM 0 HB3 MET A 42 8.153 -1.377 -10.349 1.00 0.51 H new ATOM 0 HG2 MET A 42 7.488 -0.893 -7.894 1.00 1.09 H new ATOM 0 HG3 MET A 42 7.620 -2.623 -7.647 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.396 -3.321 -8.492 1.00 1.51 H new ATOM 0 HE2 MET A 42 9.790 -4.018 -8.172 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.142 -3.280 -9.753 1.00 1.51 H new ATOM 645 N TRP A 43 4.876 -1.729 -7.880 1.00 0.32 N ATOM 646 CA TRP A 43 4.022 -2.243 -6.819 1.00 0.30 C ATOM 647 C TRP A 43 2.634 -2.508 -7.380 1.00 0.27 C ATOM 648 O TRP A 43 2.041 -3.560 -7.142 1.00 0.28 O ATOM 649 CB TRP A 43 3.949 -1.242 -5.662 1.00 0.30 C ATOM 650 CG TRP A 43 3.015 -1.649 -4.562 1.00 0.30 C ATOM 651 CD1 TRP A 43 3.220 -2.627 -3.633 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.731 -1.083 -4.273 1.00 0.31 C ATOM 653 NE1 TRP A 43 2.142 -2.705 -2.785 1.00 0.37 N ATOM 654 CE2 TRP A 43 1.215 -1.768 -3.157 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.968 -0.063 -4.849 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.029 -1.470 -2.611 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.267 0.233 -4.304 1.00 0.39 C ATOM 658 CH2 TRP A 43 -0.753 -0.467 -3.192 1.00 0.41 C ATOM 0 H TRP A 43 5.194 -0.770 -7.738 1.00 0.32 H new ATOM 0 HA TRP A 43 4.440 -3.174 -6.436 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.948 -1.109 -5.246 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.635 -0.274 -6.052 1.00 0.30 H new ATOM 0 HD1 TRP A 43 4.101 -3.249 -3.573 1.00 0.34 H new ATOM 0 HE1 TRP A 43 2.047 -3.355 -2.005 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.337 0.484 -5.704 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -0.409 -2.012 -1.758 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -0.867 1.017 -4.742 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -1.720 -0.209 -2.786 1.00 0.41 H new ATOM 669 N LYS A 44 2.139 -1.544 -8.147 1.00 0.27 N ATOM 670 CA LYS A 44 0.832 -1.650 -8.771 1.00 0.28 C ATOM 671 C LYS A 44 0.783 -2.858 -9.703 1.00 0.30 C ATOM 672 O LYS A 44 -0.131 -3.675 -9.624 1.00 0.31 O ATOM 673 CB LYS A 44 0.523 -0.366 -9.547 1.00 0.32 C ATOM 674 CG LYS A 44 -0.772 -0.426 -10.342 1.00 0.46 C ATOM 675 CD LYS A 44 -0.680 0.379 -11.629 1.00 0.66 C ATOM 676 CE LYS A 44 0.311 -0.240 -12.607 1.00 1.03 C ATOM 677 NZ LYS A 44 0.263 0.408 -13.945 1.00 1.11 N ATOM 0 H LYS A 44 2.631 -0.674 -8.351 1.00 0.27 H new ATOM 0 HA LYS A 44 0.079 -1.785 -7.994 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.470 0.467 -8.846 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.348 -0.157 -10.229 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -1.006 -1.464 -10.578 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.591 -0.045 -9.732 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -1.664 0.436 -12.094 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -0.376 1.400 -11.399 1.00 0.66 H new ATOM 0 HE2 LYS A 44 1.319 -0.156 -12.201 1.00 1.03 H new ATOM 0 HE3 LYS A 44 0.097 -1.304 -12.713 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 0.518 -0.286 -14.676 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -0.698 0.763 -14.125 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 0.935 1.201 -13.971 1.00 1.11 H new ATOM 691 N GLU A 45 1.786 -2.973 -10.571 1.00 0.35 N ATOM 692 CA GLU A 45 1.864 -4.081 -11.519 1.00 0.41 C ATOM 693 C GLU A 45 1.884 -5.419 -10.781 1.00 0.40 C ATOM 694 O GLU A 45 1.207 -6.371 -11.173 1.00 0.46 O ATOM 695 CB GLU A 45 3.120 -3.946 -12.384 1.00 0.51 C ATOM 696 CG GLU A 45 3.142 -2.691 -13.243 1.00 0.73 C ATOM 697 CD GLU A 45 2.406 -2.861 -14.556 1.00 1.21 C ATOM 698 OE1 GLU A 45 3.049 -3.267 -15.549 1.00 1.76 O ATOM 699 OE2 GLU A 45 1.189 -2.583 -14.609 1.00 1.96 O ATOM 0 H GLU A 45 2.558 -2.310 -10.637 1.00 0.35 H new ATOM 0 HA GLU A 45 0.983 -4.049 -12.160 1.00 0.41 H new ATOM 0 HB2 GLU A 45 3.997 -3.948 -11.737 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.200 -4.819 -13.031 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.695 -1.868 -12.686 1.00 0.73 H new ATOM 0 HG3 GLU A 45 4.177 -2.414 -13.446 1.00 0.73 H new ATOM 706 N TYR A 46 2.652 -5.470 -9.700 1.00 0.39 N ATOM 707 CA TYR A 46 2.781 -6.676 -8.891 1.00 0.42 C ATOM 708 C TYR A 46 1.448 -7.059 -8.254 1.00 0.40 C ATOM 709 O TYR A 46 1.070 -8.230 -8.246 1.00 0.45 O ATOM 710 CB TYR A 46 3.848 -6.459 -7.806 1.00 0.45 C ATOM 711 CG TYR A 46 3.916 -7.559 -6.768 1.00 0.59 C ATOM 712 CD1 TYR A 46 4.589 -8.743 -7.028 1.00 1.06 C ATOM 713 CD2 TYR A 46 3.306 -7.409 -5.527 1.00 1.39 C ATOM 714 CE1 TYR A 46 4.656 -9.749 -6.083 1.00 1.12 C ATOM 715 CE2 TYR A 46 3.368 -8.409 -4.577 1.00 1.58 C ATOM 716 CZ TYR A 46 4.043 -9.576 -4.859 1.00 1.03 C ATOM 717 OH TYR A 46 4.105 -10.576 -3.916 1.00 1.27 O ATOM 0 H TYR A 46 3.201 -4.680 -9.360 1.00 0.39 H new ATOM 0 HA TYR A 46 3.087 -7.496 -9.541 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.823 -6.367 -8.285 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.650 -5.513 -7.303 1.00 0.45 H new ATOM 0 HD1 TYR A 46 5.069 -8.881 -7.985 1.00 1.06 H new ATOM 0 HD2 TYR A 46 2.775 -6.496 -5.303 1.00 1.39 H new ATOM 0 HE1 TYR A 46 5.185 -10.665 -6.301 1.00 1.12 H new ATOM 0 HE2 TYR A 46 2.890 -8.277 -3.618 1.00 1.58 H new ATOM 0 HH TYR A 46 3.624 -10.295 -3.110 1.00 1.27 H new ATOM 727 N MET A 47 0.738 -6.064 -7.744 1.00 0.36 N ATOM 728 CA MET A 47 -0.543 -6.286 -7.079 1.00 0.39 C ATOM 729 C MET A 47 -1.656 -6.637 -8.066 1.00 0.37 C ATOM 730 O MET A 47 -2.648 -7.261 -7.691 1.00 0.43 O ATOM 731 CB MET A 47 -0.942 -5.043 -6.282 1.00 0.42 C ATOM 732 CG MET A 47 -0.038 -4.763 -5.091 1.00 0.57 C ATOM 733 SD MET A 47 -0.429 -5.783 -3.657 1.00 0.70 S ATOM 734 CE MET A 47 -1.927 -4.988 -3.083 1.00 0.37 C ATOM 0 H MET A 47 1.028 -5.087 -7.777 1.00 0.36 H new ATOM 0 HA MET A 47 -0.414 -7.136 -6.409 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.932 -4.178 -6.946 1.00 0.42 H new ATOM 0 HB3 MET A 47 -1.966 -5.162 -5.929 1.00 0.42 H new ATOM 0 HG2 MET A 47 0.999 -4.934 -5.380 1.00 0.57 H new ATOM 0 HG3 MET A 47 -0.123 -3.712 -4.816 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.501 -5.688 -2.476 1.00 0.37 H new ATOM 0 HE2 MET A 47 -1.669 -4.115 -2.484 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.525 -4.676 -3.940 1.00 0.37 H new ATOM 744 N LEU A 48 -1.497 -6.241 -9.322 1.00 0.37 N ATOM 745 CA LEU A 48 -2.514 -6.516 -10.334 1.00 0.41 C ATOM 746 C LEU A 48 -2.342 -7.900 -10.954 1.00 0.46 C ATOM 747 O LEU A 48 -3.269 -8.427 -11.569 1.00 0.59 O ATOM 748 CB LEU A 48 -2.478 -5.449 -11.432 1.00 0.45 C ATOM 749 CG LEU A 48 -2.856 -4.035 -10.982 1.00 0.57 C ATOM 750 CD1 LEU A 48 -2.851 -3.084 -12.165 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.217 -4.026 -10.300 1.00 0.88 C ATOM 0 H LEU A 48 -0.682 -5.733 -9.665 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.482 -6.491 -9.833 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.474 -5.421 -11.856 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -3.154 -5.751 -12.232 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.112 -3.699 -10.260 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.122 -2.083 -11.828 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -1.856 -3.061 -12.609 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -3.572 -3.424 -12.908 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.462 -3.010 -9.990 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -4.975 -4.386 -10.996 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.190 -4.676 -9.425 1.00 0.88 H new ATOM 763 N ARG A 49 -1.165 -8.491 -10.774 1.00 0.46 N ATOM 764 CA ARG A 49 -0.877 -9.811 -11.333 1.00 0.53 C ATOM 765 C ARG A 49 -1.659 -10.904 -10.611 1.00 0.54 C ATOM 766 O ARG A 49 -1.708 -10.935 -9.379 1.00 0.49 O ATOM 767 CB ARG A 49 0.621 -10.115 -11.261 1.00 0.60 C ATOM 768 CG ARG A 49 1.457 -9.288 -12.227 1.00 0.74 C ATOM 769 CD ARG A 49 2.878 -9.817 -12.339 1.00 1.01 C ATOM 770 NE ARG A 49 3.490 -10.030 -11.029 1.00 1.38 N ATOM 771 CZ ARG A 49 4.724 -10.505 -10.850 1.00 1.90 C ATOM 772 NH1 ARG A 49 5.492 -10.784 -11.898 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.188 -10.700 -9.623 1.00 2.69 N ATOM 0 H ARG A 49 -0.395 -8.079 -10.247 1.00 0.46 H new ATOM 0 HA ARG A 49 -1.189 -9.797 -12.377 1.00 0.53 H new ATOM 0 HB2 ARG A 49 0.971 -9.935 -10.245 1.00 0.60 H new ATOM 0 HB3 ARG A 49 0.779 -11.173 -11.470 1.00 0.60 H new ATOM 0 HG2 ARG A 49 0.988 -9.294 -13.211 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.480 -8.251 -11.892 1.00 0.74 H new ATOM 0 HD2 ARG A 49 2.872 -10.756 -12.893 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.482 -9.113 -12.911 1.00 1.01 H new ATOM 0 HE ARG A 49 2.940 -9.802 -10.201 1.00 1.38 H new ATOM 0 HH11 ARG A 49 5.139 -10.635 -12.843 1.00 2.19 H new ATOM 0 HH12 ARG A 49 6.435 -11.147 -11.757 1.00 2.19 H new ATOM 0 HH21 ARG A 49 4.602 -10.487 -8.816 1.00 2.69 H new ATOM 0 HH22 ARG A 49 6.131 -11.063 -9.486 1.00 2.69 H new ATOM 787 N PRO A 50 -2.281 -11.819 -11.380 1.00 0.65 N ATOM 788 CA PRO A 50 -3.067 -12.927 -10.822 1.00 0.71 C ATOM 789 C PRO A 50 -2.187 -14.029 -10.244 1.00 0.73 C ATOM 790 O PRO A 50 -2.664 -14.905 -9.518 1.00 0.78 O ATOM 791 CB PRO A 50 -3.849 -13.442 -12.032 1.00 0.89 C ATOM 792 CG PRO A 50 -2.983 -13.122 -13.200 1.00 0.94 C ATOM 793 CD PRO A 50 -2.286 -11.831 -12.859 1.00 0.77 C ATOM 0 HA PRO A 50 -3.697 -12.607 -9.992 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -4.035 -14.513 -11.958 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -4.821 -12.955 -12.113 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -2.262 -13.919 -13.381 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -3.576 -13.017 -14.108 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -1.274 -11.802 -13.264 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -2.816 -10.970 -13.265 1.00 0.77 H new ATOM 801 N SER A 51 -0.901 -13.977 -10.569 1.00 0.75 N ATOM 802 CA SER A 51 0.062 -14.955 -10.086 1.00 0.84 C ATOM 803 C SER A 51 0.334 -14.758 -8.595 1.00 0.76 C ATOM 804 O SER A 51 0.979 -15.586 -7.950 1.00 0.90 O ATOM 805 CB SER A 51 1.356 -14.818 -10.887 1.00 0.96 C ATOM 806 OG SER A 51 1.203 -13.849 -11.916 1.00 1.33 O ATOM 0 H SER A 51 -0.499 -13.259 -11.172 1.00 0.75 H new ATOM 0 HA SER A 51 -0.346 -15.957 -10.220 1.00 0.84 H new ATOM 0 HB2 SER A 51 2.172 -14.528 -10.225 1.00 0.96 H new ATOM 0 HB3 SER A 51 1.625 -15.780 -11.322 1.00 0.96 H new ATOM 0 HG SER A 51 2.040 -13.771 -12.419 1.00 1.33 H new ATOM 812 N VAL A 52 -0.167 -13.654 -8.058 1.00 0.59 N ATOM 813 CA VAL A 52 -0.001 -13.329 -6.653 1.00 0.56 C ATOM 814 C VAL A 52 -1.305 -13.585 -5.908 1.00 0.50 C ATOM 815 O VAL A 52 -2.355 -13.082 -6.304 1.00 0.51 O ATOM 816 CB VAL A 52 0.416 -11.850 -6.473 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.729 -11.547 -5.018 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.607 -11.516 -7.357 1.00 0.57 C ATOM 0 H VAL A 52 -0.699 -12.961 -8.585 1.00 0.59 H new ATOM 0 HA VAL A 52 0.787 -13.963 -6.246 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.423 -11.224 -6.776 1.00 0.52 H new ATOM 0 HG11 VAL A 52 1.019 -10.501 -4.918 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.154 -11.738 -4.408 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.547 -12.184 -4.681 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.884 -10.471 -7.215 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.449 -12.154 -7.089 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.343 -11.683 -8.401 1.00 0.57 H new ATOM 828 N ASN A 53 -1.247 -14.383 -4.845 1.00 0.51 N ATOM 829 CA ASN A 53 -2.448 -14.689 -4.071 1.00 0.52 C ATOM 830 C ASN A 53 -2.889 -13.482 -3.244 1.00 0.48 C ATOM 831 O ASN A 53 -2.115 -12.546 -3.020 1.00 0.47 O ATOM 832 CB ASN A 53 -2.241 -15.921 -3.176 1.00 0.61 C ATOM 833 CG ASN A 53 -1.181 -15.723 -2.112 1.00 1.09 C ATOM 834 OD1 ASN A 53 -1.357 -14.942 -1.181 1.00 1.80 O ATOM 835 ND2 ASN A 53 -0.080 -16.443 -2.231 1.00 1.64 N ATOM 0 H ASN A 53 -0.394 -14.825 -4.503 1.00 0.51 H new ATOM 0 HA ASN A 53 -3.243 -14.924 -4.778 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -3.186 -16.173 -2.694 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -1.964 -16.771 -3.800 1.00 0.61 H new ATOM 0 HD21 ASN A 53 0.661 -16.361 -1.535 1.00 1.64 H new ATOM 0 HD22 ASN A 53 0.029 -17.081 -3.019 1.00 1.64 H new ATOM 842 N THR A 54 -4.132 -13.525 -2.783 1.00 0.48 N ATOM 843 CA THR A 54 -4.726 -12.443 -2.007 1.00 0.49 C ATOM 844 C THR A 54 -3.974 -12.154 -0.704 1.00 0.47 C ATOM 845 O THR A 54 -3.881 -11.000 -0.282 1.00 0.47 O ATOM 846 CB THR A 54 -6.194 -12.773 -1.694 1.00 0.57 C ATOM 847 OG1 THR A 54 -6.359 -14.197 -1.639 1.00 0.75 O ATOM 848 CG2 THR A 54 -7.118 -12.190 -2.753 1.00 0.81 C ATOM 0 H THR A 54 -4.760 -14.314 -2.937 1.00 0.48 H new ATOM 0 HA THR A 54 -4.659 -11.543 -2.618 1.00 0.49 H new ATOM 0 HB THR A 54 -6.454 -12.332 -0.732 1.00 0.57 H new ATOM 0 HG1 THR A 54 -7.294 -14.410 -1.438 1.00 0.75 H new ATOM 0 HG21 THR A 54 -8.151 -12.437 -2.510 1.00 0.81 H new ATOM 0 HG22 THR A 54 -7.001 -11.107 -2.782 1.00 0.81 H new ATOM 0 HG23 THR A 54 -6.865 -12.608 -3.727 1.00 0.81 H new ATOM 856 N ARG A 55 -3.425 -13.189 -0.076 1.00 0.50 N ATOM 857 CA ARG A 55 -2.693 -13.019 1.177 1.00 0.54 C ATOM 858 C ARG A 55 -1.467 -12.136 0.969 1.00 0.49 C ATOM 859 O ARG A 55 -1.195 -11.236 1.767 1.00 0.50 O ATOM 860 CB ARG A 55 -2.269 -14.372 1.749 1.00 0.65 C ATOM 861 CG ARG A 55 -3.087 -14.806 2.953 1.00 0.94 C ATOM 862 CD ARG A 55 -2.464 -16.017 3.628 1.00 1.52 C ATOM 863 NE ARG A 55 -3.203 -16.439 4.819 1.00 2.10 N ATOM 864 CZ ARG A 55 -2.645 -17.064 5.857 1.00 2.74 C ATOM 865 NH1 ARG A 55 -1.337 -17.283 5.884 1.00 3.00 N ATOM 866 NH2 ARG A 55 -3.396 -17.458 6.874 1.00 3.58 N ATOM 0 H ARG A 55 -3.472 -14.151 -0.411 1.00 0.50 H new ATOM 0 HA ARG A 55 -3.360 -12.534 1.890 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -2.355 -15.129 0.970 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -1.218 -14.324 2.033 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -3.156 -13.984 3.665 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -4.104 -15.043 2.640 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -2.423 -16.843 2.918 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -1.436 -15.785 3.906 1.00 1.52 H new ATOM 0 HE ARG A 55 -4.203 -16.244 4.857 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -0.752 -16.973 5.108 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -0.916 -17.761 6.681 1.00 3.00 H new ATOM 0 HH21 ARG A 55 -4.401 -17.284 6.864 1.00 3.58 H new ATOM 0 HH22 ARG A 55 -2.970 -17.936 7.668 1.00 3.58 H new ATOM 880 N ARG A 56 -0.743 -12.387 -0.117 1.00 0.49 N ATOM 881 CA ARG A 56 0.450 -11.615 -0.439 1.00 0.48 C ATOM 882 C ARG A 56 0.080 -10.169 -0.740 1.00 0.43 C ATOM 883 O ARG A 56 0.803 -9.242 -0.370 1.00 0.46 O ATOM 884 CB ARG A 56 1.182 -12.218 -1.640 1.00 0.53 C ATOM 885 CG ARG A 56 1.613 -13.663 -1.440 1.00 0.67 C ATOM 886 CD ARG A 56 3.124 -13.792 -1.367 1.00 0.84 C ATOM 887 NE ARG A 56 3.650 -13.396 -0.067 1.00 1.55 N ATOM 888 CZ ARG A 56 4.902 -13.620 0.322 1.00 2.18 C ATOM 889 NH1 ARG A 56 5.736 -14.278 -0.469 1.00 2.58 N ATOM 890 NH2 ARG A 56 5.313 -13.210 1.511 1.00 3.05 N ATOM 0 H ARG A 56 -0.963 -13.121 -0.790 1.00 0.49 H new ATOM 0 HA ARG A 56 1.113 -11.644 0.426 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.533 -12.161 -2.514 1.00 0.53 H new ATOM 0 HB3 ARG A 56 2.063 -11.614 -1.857 1.00 0.53 H new ATOM 0 HG2 ARG A 56 1.170 -14.052 -0.523 1.00 0.67 H new ATOM 0 HG3 ARG A 56 1.235 -14.273 -2.260 1.00 0.67 H new ATOM 0 HD2 ARG A 56 3.409 -14.824 -1.573 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.577 -13.175 -2.143 1.00 0.84 H new ATOM 0 HE ARG A 56 3.023 -12.920 0.581 1.00 1.55 H new ATOM 0 HH11 ARG A 56 5.419 -14.614 -1.378 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.696 -14.449 -0.169 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.669 -12.721 2.132 1.00 3.05 H new ATOM 0 HH22 ARG A 56 6.274 -13.383 1.806 1.00 3.05 H new ATOM 904 N LYS A 57 -1.061 -9.986 -1.404 1.00 0.38 N ATOM 905 CA LYS A 57 -1.539 -8.653 -1.752 1.00 0.36 C ATOM 906 C LYS A 57 -1.889 -7.869 -0.490 1.00 0.35 C ATOM 907 O LYS A 57 -1.660 -6.662 -0.412 1.00 0.36 O ATOM 908 CB LYS A 57 -2.755 -8.741 -2.681 1.00 0.37 C ATOM 909 CG LYS A 57 -2.465 -9.427 -4.005 1.00 0.39 C ATOM 910 CD LYS A 57 -3.610 -9.256 -4.987 1.00 0.59 C ATOM 911 CE LYS A 57 -3.375 -10.071 -6.247 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.162 -9.561 -7.399 1.00 0.46 N ATOM 0 H LYS A 57 -1.669 -10.745 -1.710 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.742 -8.128 -2.279 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.553 -9.280 -2.170 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.125 -7.735 -2.877 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.552 -9.016 -4.435 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.287 -10.489 -3.834 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.544 -9.566 -4.519 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.717 -8.203 -5.246 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.314 -10.053 -6.497 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -3.640 -11.111 -6.060 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -4.037 -10.196 -8.213 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.169 -9.522 -7.142 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -3.832 -8.607 -7.650 1.00 0.46 H new ATOM 926 N LEU A 58 -2.427 -8.568 0.502 1.00 0.36 N ATOM 927 CA LEU A 58 -2.795 -7.949 1.768 1.00 0.37 C ATOM 928 C LEU A 58 -1.551 -7.393 2.460 1.00 0.37 C ATOM 929 O LEU A 58 -1.569 -6.286 3.004 1.00 0.38 O ATOM 930 CB LEU A 58 -3.496 -8.967 2.669 1.00 0.42 C ATOM 931 CG LEU A 58 -4.060 -8.402 3.975 1.00 0.77 C ATOM 932 CD1 LEU A 58 -5.245 -7.488 3.701 1.00 1.26 C ATOM 933 CD2 LEU A 58 -4.456 -9.529 4.917 1.00 1.15 C ATOM 0 H LEU A 58 -2.619 -9.569 0.453 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.483 -7.127 1.573 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.311 -9.424 2.108 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.790 -9.761 2.910 1.00 0.42 H new ATOM 0 HG LEU A 58 -3.281 -7.811 4.456 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.629 -7.098 4.644 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.927 -6.659 3.068 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -6.029 -8.051 3.194 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.855 -9.108 5.840 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -5.216 -10.149 4.443 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -3.581 -10.138 5.144 1.00 1.15 H new ATOM 945 N LEU A 59 -0.467 -8.156 2.410 1.00 0.38 N ATOM 946 CA LEU A 59 0.792 -7.746 3.021 1.00 0.40 C ATOM 947 C LEU A 59 1.394 -6.579 2.250 1.00 0.37 C ATOM 948 O LEU A 59 1.986 -5.673 2.838 1.00 0.38 O ATOM 949 CB LEU A 59 1.776 -8.920 3.071 1.00 0.45 C ATOM 950 CG LEU A 59 1.773 -9.727 4.372 1.00 0.63 C ATOM 951 CD1 LEU A 59 0.395 -10.310 4.651 1.00 1.54 C ATOM 952 CD2 LEU A 59 2.814 -10.832 4.304 1.00 1.21 C ATOM 0 H LEU A 59 -0.434 -9.066 1.951 1.00 0.38 H new ATOM 0 HA LEU A 59 0.593 -7.424 4.043 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.552 -9.595 2.245 1.00 0.45 H new ATOM 0 HB3 LEU A 59 2.782 -8.535 2.905 1.00 0.45 H new ATOM 0 HG LEU A 59 2.025 -9.055 5.192 1.00 0.63 H new ATOM 0 HD11 LEU A 59 0.422 -10.878 5.581 1.00 1.54 H new ATOM 0 HD12 LEU A 59 -0.331 -9.502 4.740 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.106 -10.968 3.832 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.803 -11.400 5.234 1.00 1.21 H new ATOM 0 HD22 LEU A 59 2.585 -11.497 3.471 1.00 1.21 H new ATOM 0 HD23 LEU A 59 3.801 -10.393 4.158 1.00 1.21 H new ATOM 964 N GLY A 60 1.223 -6.599 0.932 1.00 0.37 N ATOM 965 CA GLY A 60 1.732 -5.525 0.102 1.00 0.37 C ATOM 966 C GLY A 60 1.031 -4.216 0.404 1.00 0.35 C ATOM 967 O GLY A 60 1.624 -3.139 0.316 1.00 0.36 O ATOM 0 H GLY A 60 0.741 -7.341 0.425 1.00 0.37 H new ATOM 0 HA2 GLY A 60 2.804 -5.412 0.266 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.596 -5.779 -0.949 1.00 0.37 H new ATOM 971 N LEU A 61 -0.240 -4.317 0.772 1.00 0.35 N ATOM 972 CA LEU A 61 -1.043 -3.155 1.115 1.00 0.36 C ATOM 973 C LEU A 61 -0.540 -2.531 2.414 1.00 0.35 C ATOM 974 O LEU A 61 -0.515 -1.307 2.562 1.00 0.36 O ATOM 975 CB LEU A 61 -2.513 -3.563 1.257 1.00 0.40 C ATOM 976 CG LEU A 61 -3.483 -2.423 1.572 1.00 0.52 C ATOM 977 CD1 LEU A 61 -3.644 -1.505 0.368 1.00 1.23 C ATOM 978 CD2 LEU A 61 -4.830 -2.976 2.014 1.00 1.10 C ATOM 0 H LEU A 61 -0.740 -5.204 0.840 1.00 0.35 H new ATOM 0 HA LEU A 61 -0.956 -2.416 0.319 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.831 -4.042 0.331 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.590 -4.311 2.046 1.00 0.40 H new ATOM 0 HG LEU A 61 -3.069 -1.836 2.392 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -4.338 -0.701 0.614 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -2.676 -1.080 0.102 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -4.033 -2.076 -0.475 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -5.508 -2.151 2.234 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -5.251 -3.589 1.217 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -4.698 -3.585 2.908 1.00 1.10 H new ATOM 990 N TYR A 62 -0.121 -3.385 3.343 1.00 0.36 N ATOM 991 CA TYR A 62 0.393 -2.931 4.629 1.00 0.37 C ATOM 992 C TYR A 62 1.678 -2.135 4.439 1.00 0.34 C ATOM 993 O TYR A 62 1.896 -1.124 5.105 1.00 0.35 O ATOM 994 CB TYR A 62 0.659 -4.118 5.557 1.00 0.44 C ATOM 995 CG TYR A 62 -0.585 -4.849 6.011 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.776 -4.174 6.248 1.00 1.30 C ATOM 997 CD2 TYR A 62 -0.558 -6.222 6.216 1.00 1.23 C ATOM 998 CE1 TYR A 62 -2.905 -4.849 6.673 1.00 1.38 C ATOM 999 CE2 TYR A 62 -1.678 -6.901 6.642 1.00 1.35 C ATOM 1000 CZ TYR A 62 -2.848 -6.213 6.869 1.00 0.89 C ATOM 1001 OH TYR A 62 -3.967 -6.891 7.298 1.00 1.10 O ATOM 0 H TYR A 62 -0.128 -4.398 3.228 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.362 -2.290 5.084 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.314 -4.824 5.045 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.198 -3.763 6.436 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.820 -3.105 6.098 1.00 1.30 H new ATOM 0 HD2 TYR A 62 0.357 -6.767 6.038 1.00 1.23 H new ATOM 0 HE1 TYR A 62 -3.825 -4.312 6.850 1.00 1.38 H new ATOM 0 HE2 TYR A 62 -1.638 -7.969 6.797 1.00 1.35 H new ATOM 0 HH TYR A 62 -3.758 -7.845 7.385 1.00 1.10 H new ATOM 1011 N LEU A 63 2.520 -2.595 3.518 1.00 0.33 N ATOM 1012 CA LEU A 63 3.784 -1.926 3.232 1.00 0.34 C ATOM 1013 C LEU A 63 3.534 -0.527 2.678 1.00 0.32 C ATOM 1014 O LEU A 63 4.176 0.440 3.097 1.00 0.35 O ATOM 1015 CB LEU A 63 4.612 -2.746 2.240 1.00 0.36 C ATOM 1016 CG LEU A 63 5.943 -2.117 1.823 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.803 -1.817 3.042 1.00 1.21 C ATOM 1018 CD2 LEU A 63 6.685 -3.030 0.860 1.00 1.45 C ATOM 0 H LEU A 63 2.349 -3.429 2.957 1.00 0.33 H new ATOM 0 HA LEU A 63 4.343 -1.838 4.163 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.813 -3.723 2.680 1.00 0.36 H new ATOM 0 HB3 LEU A 63 4.013 -2.916 1.345 1.00 0.36 H new ATOM 0 HG LEU A 63 5.731 -1.176 1.315 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.744 -1.370 2.722 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.276 -1.123 3.697 1.00 1.21 H new ATOM 0 HD13 LEU A 63 7.005 -2.742 3.581 1.00 1.21 H new ATOM 0 HD21 LEU A 63 7.629 -2.567 0.574 1.00 1.45 H new ATOM 0 HD22 LEU A 63 6.882 -3.986 1.344 1.00 1.45 H new ATOM 0 HD23 LEU A 63 6.076 -3.192 -0.030 1.00 1.45 H new ATOM 1030 N MET A 64 2.587 -0.428 1.749 1.00 0.31 N ATOM 1031 CA MET A 64 2.235 0.853 1.143 1.00 0.34 C ATOM 1032 C MET A 64 1.751 1.817 2.220 1.00 0.32 C ATOM 1033 O MET A 64 2.113 2.992 2.232 1.00 0.33 O ATOM 1034 CB MET A 64 1.151 0.660 0.074 1.00 0.38 C ATOM 1035 CG MET A 64 0.964 1.858 -0.851 1.00 0.61 C ATOM 1036 SD MET A 64 -0.158 3.109 -0.186 1.00 0.47 S ATOM 1037 CE MET A 64 -1.697 2.193 -0.114 1.00 0.50 C ATOM 0 H MET A 64 2.049 -1.221 1.399 1.00 0.31 H new ATOM 0 HA MET A 64 3.119 1.272 0.663 1.00 0.34 H new ATOM 0 HB2 MET A 64 1.402 -0.214 -0.528 1.00 0.38 H new ATOM 0 HB3 MET A 64 0.203 0.446 0.568 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.935 2.316 -1.042 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.581 1.511 -1.811 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.488 2.773 -0.588 1.00 0.50 H new ATOM 0 HE2 MET A 64 -1.580 1.244 -0.637 1.00 0.50 H new ATOM 0 HE3 MET A 64 -1.960 2.004 0.927 1.00 0.50 H new ATOM 1047 N ASN A 65 0.952 1.294 3.140 1.00 0.34 N ATOM 1048 CA ASN A 65 0.412 2.081 4.240 1.00 0.36 C ATOM 1049 C ASN A 65 1.527 2.666 5.103 1.00 0.35 C ATOM 1050 O ASN A 65 1.474 3.828 5.495 1.00 0.41 O ATOM 1051 CB ASN A 65 -0.521 1.212 5.099 1.00 0.42 C ATOM 1052 CG ASN A 65 -0.629 1.686 6.540 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -1.390 2.598 6.855 1.00 1.56 O ATOM 1054 ND2 ASN A 65 0.123 1.052 7.429 1.00 1.69 N ATOM 0 H ASN A 65 0.661 0.316 3.145 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.155 2.910 3.817 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -1.515 1.206 4.651 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.160 0.184 5.088 1.00 0.42 H new ATOM 0 HD21 ASN A 65 0.082 1.317 8.413 1.00 1.69 H new ATOM 0 HD22 ASN A 65 0.743 0.300 7.129 1.00 1.69 H new ATOM 1061 N HIS A 66 2.549 1.865 5.369 1.00 0.34 N ATOM 1062 CA HIS A 66 3.660 2.294 6.207 1.00 0.37 C ATOM 1063 C HIS A 66 4.494 3.390 5.541 1.00 0.36 C ATOM 1064 O HIS A 66 4.778 4.419 6.162 1.00 0.40 O ATOM 1065 CB HIS A 66 4.552 1.098 6.553 1.00 0.44 C ATOM 1066 CG HIS A 66 5.160 1.165 7.922 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.709 2.322 8.415 1.00 1.54 N ATOM 1068 CD2 HIS A 66 5.279 0.191 8.853 1.00 1.09 C ATOM 1069 CE1 HIS A 66 6.147 2.025 9.627 1.00 1.46 C ATOM 1070 NE2 HIS A 66 5.911 0.745 9.936 1.00 1.04 N ATOM 0 H HIS A 66 2.632 0.912 5.016 1.00 0.34 H new ATOM 0 HA HIS A 66 3.236 2.712 7.120 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.964 0.184 6.473 1.00 0.44 H new ATOM 0 HB3 HIS A 66 5.351 1.029 5.815 1.00 0.44 H new ATOM 0 HD2 HIS A 66 4.940 -0.830 8.761 1.00 1.09 H new ATOM 0 HE1 HIS A 66 6.635 2.728 10.286 1.00 1.46 H new ATOM 0 HE2 HIS A 66 6.154 0.273 10.807 1.00 1.04 H new ATOM 1078 N VAL A 67 4.855 3.189 4.275 1.00 0.35 N ATOM 1079 CA VAL A 67 5.689 4.158 3.561 1.00 0.39 C ATOM 1080 C VAL A 67 5.005 5.520 3.399 1.00 0.39 C ATOM 1081 O VAL A 67 5.672 6.552 3.402 1.00 0.48 O ATOM 1082 CB VAL A 67 6.153 3.636 2.176 1.00 0.42 C ATOM 1083 CG1 VAL A 67 6.954 2.351 2.328 1.00 1.16 C ATOM 1084 CG2 VAL A 67 4.978 3.431 1.232 1.00 1.40 C ATOM 0 H VAL A 67 4.587 2.373 3.725 1.00 0.35 H new ATOM 0 HA VAL A 67 6.570 4.293 4.189 1.00 0.39 H new ATOM 0 HB VAL A 67 6.798 4.396 1.736 1.00 0.42 H new ATOM 0 HG11 VAL A 67 7.270 2.001 1.345 1.00 1.16 H new ATOM 0 HG12 VAL A 67 7.832 2.540 2.946 1.00 1.16 H new ATOM 0 HG13 VAL A 67 6.334 1.590 2.802 1.00 1.16 H new ATOM 0 HG21 VAL A 67 5.342 3.065 0.272 1.00 1.40 H new ATOM 0 HG22 VAL A 67 4.290 2.703 1.661 1.00 1.40 H new ATOM 0 HG23 VAL A 67 4.459 4.378 1.086 1.00 1.40 H new ATOM 1094 N VAL A 68 3.683 5.534 3.273 1.00 0.34 N ATOM 1095 CA VAL A 68 2.965 6.794 3.118 1.00 0.37 C ATOM 1096 C VAL A 68 2.591 7.384 4.476 1.00 0.39 C ATOM 1097 O VAL A 68 2.318 8.581 4.591 1.00 0.43 O ATOM 1098 CB VAL A 68 1.693 6.647 2.252 1.00 0.38 C ATOM 1099 CG1 VAL A 68 2.052 6.178 0.850 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.689 5.702 2.899 1.00 0.37 C ATOM 0 H VAL A 68 3.094 4.701 3.275 1.00 0.34 H new ATOM 0 HA VAL A 68 3.646 7.472 2.603 1.00 0.37 H new ATOM 0 HB VAL A 68 1.223 7.628 2.177 1.00 0.38 H new ATOM 0 HG11 VAL A 68 1.144 6.080 0.255 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.716 6.905 0.382 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.554 5.212 0.907 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.194 5.620 2.265 1.00 0.37 H new ATOM 0 HG22 VAL A 68 1.141 4.718 3.020 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.400 6.091 3.875 1.00 0.37 H new ATOM 1110 N GLN A 69 2.600 6.542 5.503 1.00 0.39 N ATOM 1111 CA GLN A 69 2.258 6.966 6.856 1.00 0.45 C ATOM 1112 C GLN A 69 3.411 7.734 7.491 1.00 0.45 C ATOM 1113 O GLN A 69 3.226 8.830 8.019 1.00 0.50 O ATOM 1114 CB GLN A 69 1.916 5.748 7.720 1.00 0.52 C ATOM 1115 CG GLN A 69 1.189 6.084 9.014 1.00 0.82 C ATOM 1116 CD GLN A 69 -0.182 6.685 8.773 1.00 1.26 C ATOM 1117 OE1 GLN A 69 -0.341 7.905 8.749 1.00 1.83 O ATOM 1118 NE2 GLN A 69 -1.178 5.832 8.587 1.00 2.02 N ATOM 0 H GLN A 69 2.842 5.554 5.423 1.00 0.39 H new ATOM 0 HA GLN A 69 1.391 7.623 6.796 1.00 0.45 H new ATOM 0 HB2 GLN A 69 1.299 5.065 7.137 1.00 0.52 H new ATOM 0 HB3 GLN A 69 2.837 5.218 7.961 1.00 0.52 H new ATOM 0 HG2 GLN A 69 1.085 5.180 9.613 1.00 0.82 H new ATOM 0 HG3 GLN A 69 1.791 6.783 9.594 1.00 0.82 H new ATOM 0 HE21 GLN A 69 -1.001 4.828 8.615 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -2.122 6.179 8.416 1.00 2.02 H new ATOM 1127 N GLN A 70 4.606 7.164 7.415 1.00 0.44 N ATOM 1128 CA GLN A 70 5.787 7.787 8.002 1.00 0.49 C ATOM 1129 C GLN A 70 6.367 8.846 7.071 1.00 0.46 C ATOM 1130 O GLN A 70 7.291 9.572 7.440 1.00 0.49 O ATOM 1131 CB GLN A 70 6.851 6.731 8.314 1.00 0.58 C ATOM 1132 CG GLN A 70 6.305 5.496 9.020 1.00 0.78 C ATOM 1133 CD GLN A 70 5.670 5.801 10.368 1.00 1.39 C ATOM 1134 OE1 GLN A 70 6.048 6.754 11.050 1.00 2.10 O ATOM 1135 NE2 GLN A 70 4.702 4.984 10.765 1.00 2.02 N ATOM 0 H GLN A 70 4.784 6.272 6.953 1.00 0.44 H new ATOM 0 HA GLN A 70 5.482 8.271 8.930 1.00 0.49 H new ATOM 0 HB2 GLN A 70 7.329 6.424 7.383 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.625 7.181 8.936 1.00 0.58 H new ATOM 0 HG2 GLN A 70 5.565 5.017 8.378 1.00 0.78 H new ATOM 0 HG3 GLN A 70 7.115 4.780 9.162 1.00 0.78 H new ATOM 0 HE21 GLN A 70 4.417 4.205 10.172 1.00 2.02 H new ATOM 0 HE22 GLN A 70 4.244 5.135 11.664 1.00 2.02 H new ATOM 1144 N ALA A 71 5.811 8.941 5.868 1.00 0.46 N ATOM 1145 CA ALA A 71 6.272 9.912 4.884 1.00 0.47 C ATOM 1146 C ALA A 71 6.128 11.341 5.398 1.00 0.46 C ATOM 1147 O ALA A 71 6.955 12.199 5.097 1.00 0.48 O ATOM 1148 CB ALA A 71 5.515 9.745 3.578 1.00 0.51 C ATOM 0 H ALA A 71 5.038 8.355 5.551 1.00 0.46 H new ATOM 0 HA ALA A 71 7.331 9.725 4.707 1.00 0.47 H new ATOM 0 HB1 ALA A 71 5.872 10.478 2.854 1.00 0.51 H new ATOM 0 HB2 ALA A 71 5.679 8.740 3.188 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.450 9.897 3.753 1.00 0.51 H new ATOM 1154 N LYS A 72 5.094 11.586 6.197 1.00 0.49 N ATOM 1155 CA LYS A 72 4.848 12.918 6.744 1.00 0.55 C ATOM 1156 C LYS A 72 5.940 13.321 7.729 1.00 0.54 C ATOM 1157 O LYS A 72 6.245 14.505 7.877 1.00 0.59 O ATOM 1158 CB LYS A 72 3.474 12.984 7.418 1.00 0.66 C ATOM 1159 CG LYS A 72 2.317 12.818 6.448 1.00 0.84 C ATOM 1160 CD LYS A 72 1.048 13.484 6.960 1.00 1.07 C ATOM 1161 CE LYS A 72 1.112 14.996 6.802 1.00 1.60 C ATOM 1162 NZ LYS A 72 -0.179 15.649 7.151 1.00 2.09 N ATOM 0 H LYS A 72 4.413 10.881 6.480 1.00 0.49 H new ATOM 0 HA LYS A 72 4.862 13.624 5.913 1.00 0.55 H new ATOM 0 HB2 LYS A 72 3.414 12.207 8.180 1.00 0.66 H new ATOM 0 HB3 LYS A 72 3.374 13.941 7.930 1.00 0.66 H new ATOM 0 HG2 LYS A 72 2.588 13.246 5.483 1.00 0.84 H new ATOM 0 HG3 LYS A 72 2.130 11.757 6.284 1.00 0.84 H new ATOM 0 HD2 LYS A 72 0.187 13.096 6.416 1.00 1.07 H new ATOM 0 HD3 LYS A 72 0.902 13.232 8.010 1.00 1.07 H new ATOM 0 HE2 LYS A 72 1.903 15.394 7.438 1.00 1.60 H new ATOM 0 HE3 LYS A 72 1.376 15.242 5.774 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -0.091 16.678 7.030 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -0.930 15.289 6.527 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 -0.419 15.436 8.140 1.00 2.09 H new ATOM 1176 N GLY A 73 6.539 12.331 8.378 1.00 0.54 N ATOM 1177 CA GLY A 73 7.591 12.599 9.338 1.00 0.59 C ATOM 1178 C GLY A 73 8.812 13.213 8.683 1.00 0.56 C ATOM 1179 O GLY A 73 9.444 14.113 9.239 1.00 0.66 O ATOM 0 H GLY A 73 6.314 11.344 8.256 1.00 0.54 H new ATOM 0 HA2 GLY A 73 7.216 13.272 10.109 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.874 11.671 9.835 1.00 0.59 H new ATOM 1183 N GLN A 74 9.134 12.738 7.487 1.00 0.52 N ATOM 1184 CA GLN A 74 10.285 13.245 6.746 1.00 0.55 C ATOM 1185 C GLN A 74 9.843 14.235 5.672 1.00 0.51 C ATOM 1186 O GLN A 74 10.669 14.768 4.932 1.00 0.56 O ATOM 1187 CB GLN A 74 11.059 12.095 6.099 1.00 0.62 C ATOM 1188 CG GLN A 74 11.729 11.165 7.099 1.00 0.80 C ATOM 1189 CD GLN A 74 12.726 10.225 6.446 1.00 0.94 C ATOM 1190 OE1 GLN A 74 13.703 9.809 7.068 1.00 1.62 O ATOM 1191 NE2 GLN A 74 12.491 9.885 5.188 1.00 1.42 N ATOM 0 H GLN A 74 8.615 12.002 7.008 1.00 0.52 H new ATOM 0 HA GLN A 74 10.938 13.759 7.452 1.00 0.55 H new ATOM 0 HB2 GLN A 74 10.377 11.514 5.478 1.00 0.62 H new ATOM 0 HB3 GLN A 74 11.819 12.509 5.436 1.00 0.62 H new ATOM 0 HG2 GLN A 74 12.239 11.760 7.857 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.966 10.580 7.613 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.670 10.251 4.706 1.00 1.42 H new ATOM 0 HE22 GLN A 74 13.131 9.257 4.701 1.00 1.42 H new ATOM 1200 N LYS A 75 8.532 14.474 5.606 1.00 0.47 N ATOM 1201 CA LYS A 75 7.942 15.393 4.630 1.00 0.50 C ATOM 1202 C LYS A 75 8.176 14.901 3.204 1.00 0.47 C ATOM 1203 O LYS A 75 8.411 15.691 2.288 1.00 0.54 O ATOM 1204 CB LYS A 75 8.500 16.812 4.797 1.00 0.62 C ATOM 1205 CG LYS A 75 7.989 17.531 6.035 1.00 0.77 C ATOM 1206 CD LYS A 75 7.015 18.646 5.680 1.00 1.33 C ATOM 1207 CE LYS A 75 5.675 18.108 5.204 1.00 1.99 C ATOM 1208 NZ LYS A 75 4.690 19.200 4.987 1.00 2.70 N ATOM 0 H LYS A 75 7.850 14.037 6.226 1.00 0.47 H new ATOM 0 HA LYS A 75 6.868 15.422 4.815 1.00 0.50 H new ATOM 0 HB2 LYS A 75 9.588 16.762 4.841 1.00 0.62 H new ATOM 0 HB3 LYS A 75 8.243 17.399 3.915 1.00 0.62 H new ATOM 0 HG2 LYS A 75 7.498 16.815 6.694 1.00 0.77 H new ATOM 0 HG3 LYS A 75 8.832 17.947 6.588 1.00 0.77 H new ATOM 0 HD2 LYS A 75 6.860 19.282 6.551 1.00 1.33 H new ATOM 0 HD3 LYS A 75 7.450 19.272 4.901 1.00 1.33 H new ATOM 0 HE2 LYS A 75 5.814 17.554 4.276 1.00 1.99 H new ATOM 0 HE3 LYS A 75 5.283 17.405 5.939 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 3.789 18.795 4.663 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 4.538 19.713 5.879 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 5.053 19.857 4.267 1.00 2.70 H new ATOM 1222 N ILE A 76 8.102 13.595 3.020 1.00 0.42 N ATOM 1223 CA ILE A 76 8.296 13.002 1.710 1.00 0.42 C ATOM 1224 C ILE A 76 6.952 12.855 1.007 1.00 0.38 C ATOM 1225 O ILE A 76 6.331 11.789 1.025 1.00 0.40 O ATOM 1226 CB ILE A 76 9.001 11.628 1.798 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.320 11.749 2.574 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.251 11.061 0.405 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.351 12.630 1.898 1.00 0.63 C ATOM 0 H ILE A 76 7.908 12.924 3.763 1.00 0.42 H new ATOM 0 HA ILE A 76 8.942 13.666 1.135 1.00 0.42 H new ATOM 0 HB ILE A 76 8.346 10.941 2.335 1.00 0.46 H new ATOM 0 HG12 ILE A 76 10.111 12.147 3.567 1.00 0.55 H new ATOM 0 HG13 ILE A 76 10.742 10.753 2.712 1.00 0.55 H new ATOM 0 HG21 ILE A 76 9.748 10.094 0.489 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.300 10.936 -0.113 1.00 0.49 H new ATOM 0 HG23 ILE A 76 9.884 11.746 -0.159 1.00 0.49 H new ATOM 0 HD11 ILE A 76 12.254 12.666 2.507 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.591 12.222 0.916 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.950 13.637 1.784 1.00 0.63 H new ATOM 1241 N ILE A 77 6.496 13.947 0.407 1.00 0.40 N ATOM 1242 CA ILE A 77 5.218 13.962 -0.296 1.00 0.42 C ATOM 1243 C ILE A 77 5.308 13.216 -1.621 1.00 0.39 C ATOM 1244 O ILE A 77 4.293 12.925 -2.251 1.00 0.40 O ATOM 1245 CB ILE A 77 4.722 15.402 -0.555 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.756 16.198 -1.358 1.00 0.59 C ATOM 1247 CG2 ILE A 77 4.419 16.099 0.765 1.00 0.57 C ATOM 1248 CD1 ILE A 77 5.269 17.565 -1.785 1.00 0.86 C ATOM 0 H ILE A 77 6.994 14.837 0.393 1.00 0.40 H new ATOM 0 HA ILE A 77 4.501 13.458 0.352 1.00 0.42 H new ATOM 0 HB ILE A 77 3.805 15.350 -1.142 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.659 16.314 -0.758 1.00 0.59 H new ATOM 0 HG13 ILE A 77 6.033 15.627 -2.244 1.00 0.59 H new ATOM 0 HG21 ILE A 77 4.070 17.113 0.569 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.646 15.546 1.299 1.00 0.57 H new ATOM 0 HG23 ILE A 77 5.323 16.137 1.372 1.00 0.57 H new ATOM 0 HD11 ILE A 77 6.053 18.071 -2.349 1.00 0.86 H new ATOM 0 HD12 ILE A 77 4.384 17.457 -2.412 1.00 0.86 H new ATOM 0 HD13 ILE A 77 5.019 18.154 -0.903 1.00 0.86 H new ATOM 1260 N GLN A 78 6.529 12.894 -2.028 1.00 0.41 N ATOM 1261 CA GLN A 78 6.758 12.185 -3.276 1.00 0.43 C ATOM 1262 C GLN A 78 6.091 10.813 -3.245 1.00 0.36 C ATOM 1263 O GLN A 78 5.379 10.443 -4.176 1.00 0.36 O ATOM 1264 CB GLN A 78 8.259 12.032 -3.543 1.00 0.52 C ATOM 1265 CG GLN A 78 8.986 13.345 -3.811 1.00 0.81 C ATOM 1266 CD GLN A 78 9.231 14.156 -2.552 1.00 1.36 C ATOM 1267 OE1 GLN A 78 9.335 13.611 -1.456 1.00 2.22 O ATOM 1268 NE2 GLN A 78 9.322 15.465 -2.701 1.00 1.73 N ATOM 0 H GLN A 78 7.378 13.115 -1.508 1.00 0.41 H new ATOM 0 HA GLN A 78 6.317 12.770 -4.083 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.721 11.543 -2.685 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.398 11.372 -4.399 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.941 13.133 -4.292 1.00 0.81 H new ATOM 0 HG3 GLN A 78 8.402 13.941 -4.512 1.00 0.81 H new ATOM 0 HE21 GLN A 78 9.230 15.880 -3.628 1.00 1.73 H new ATOM 0 HE22 GLN A 78 9.484 16.061 -1.889 1.00 1.73 H new ATOM 1277 N PHE A 79 6.301 10.080 -2.155 1.00 0.36 N ATOM 1278 CA PHE A 79 5.724 8.748 -2.002 1.00 0.36 C ATOM 1279 C PHE A 79 4.205 8.810 -1.938 1.00 0.33 C ATOM 1280 O PHE A 79 3.513 7.915 -2.427 1.00 0.36 O ATOM 1281 CB PHE A 79 6.255 8.078 -0.733 1.00 0.42 C ATOM 1282 CG PHE A 79 7.507 7.282 -0.945 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.513 6.203 -1.811 1.00 1.29 C ATOM 1284 CD2 PHE A 79 8.675 7.610 -0.281 1.00 1.24 C ATOM 1285 CE1 PHE A 79 8.662 5.466 -2.011 1.00 1.34 C ATOM 1286 CE2 PHE A 79 9.827 6.878 -0.476 1.00 1.30 C ATOM 1287 CZ PHE A 79 9.821 5.803 -1.344 1.00 0.64 C ATOM 0 H PHE A 79 6.867 10.387 -1.364 1.00 0.36 H new ATOM 0 HA PHE A 79 6.015 8.162 -2.874 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.446 8.845 0.018 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.483 7.422 -0.330 1.00 0.42 H new ATOM 0 HD1 PHE A 79 6.608 5.935 -2.336 1.00 1.29 H new ATOM 0 HD2 PHE A 79 8.685 8.450 0.398 1.00 1.24 H new ATOM 0 HE1 PHE A 79 8.654 4.626 -2.689 1.00 1.34 H new ATOM 0 HE2 PHE A 79 10.733 7.144 0.049 1.00 1.30 H new ATOM 0 HZ PHE A 79 10.722 5.228 -1.500 1.00 0.64 H new ATOM 1297 N GLN A 80 3.692 9.879 -1.347 1.00 0.33 N ATOM 1298 CA GLN A 80 2.256 10.057 -1.200 1.00 0.38 C ATOM 1299 C GLN A 80 1.596 10.369 -2.539 1.00 0.33 C ATOM 1300 O GLN A 80 0.418 10.082 -2.739 1.00 0.39 O ATOM 1301 CB GLN A 80 1.961 11.155 -0.179 1.00 0.48 C ATOM 1302 CG GLN A 80 2.481 10.825 1.212 1.00 0.60 C ATOM 1303 CD GLN A 80 2.059 11.837 2.256 1.00 0.75 C ATOM 1304 OE1 GLN A 80 1.909 13.024 1.970 1.00 1.30 O ATOM 1305 NE2 GLN A 80 1.873 11.372 3.481 1.00 1.11 N ATOM 0 H GLN A 80 4.252 10.639 -0.960 1.00 0.33 H new ATOM 0 HA GLN A 80 1.833 9.120 -0.836 1.00 0.38 H new ATOM 0 HB2 GLN A 80 2.410 12.089 -0.517 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.884 11.319 -0.130 1.00 0.48 H new ATOM 0 HG2 GLN A 80 2.121 9.838 1.504 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.569 10.772 1.184 1.00 0.60 H new ATOM 0 HE21 GLN A 80 2.008 10.380 3.676 1.00 1.11 H new ATOM 0 HE22 GLN A 80 1.595 12.006 4.230 1.00 1.11 H new ATOM 1314 N ASP A 81 2.356 10.953 -3.456 1.00 0.33 N ATOM 1315 CA ASP A 81 1.824 11.281 -4.773 1.00 0.35 C ATOM 1316 C ASP A 81 1.971 10.095 -5.720 1.00 0.32 C ATOM 1317 O ASP A 81 1.053 9.779 -6.482 1.00 0.37 O ATOM 1318 CB ASP A 81 2.523 12.510 -5.365 1.00 0.41 C ATOM 1319 CG ASP A 81 2.059 12.800 -6.781 1.00 0.52 C ATOM 1320 OD1 ASP A 81 0.946 13.345 -6.950 1.00 1.32 O ATOM 1321 OD2 ASP A 81 2.798 12.468 -7.736 1.00 1.16 O ATOM 0 H ASP A 81 3.334 11.208 -3.315 1.00 0.33 H new ATOM 0 HA ASP A 81 0.766 11.513 -4.653 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.327 13.377 -4.734 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.601 12.350 -5.362 1.00 0.41 H new ATOM 1326 N SER A 82 3.121 9.432 -5.660 1.00 0.31 N ATOM 1327 CA SER A 82 3.385 8.287 -6.519 1.00 0.32 C ATOM 1328 C SER A 82 2.479 7.114 -6.160 1.00 0.29 C ATOM 1329 O SER A 82 1.788 6.565 -7.019 1.00 0.30 O ATOM 1330 CB SER A 82 4.856 7.876 -6.426 1.00 0.36 C ATOM 1331 OG SER A 82 5.255 7.673 -5.079 1.00 0.94 O ATOM 0 H SER A 82 3.884 9.669 -5.025 1.00 0.31 H new ATOM 0 HA SER A 82 3.169 8.578 -7.547 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.016 6.961 -6.996 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.480 8.647 -6.879 1.00 0.36 H new ATOM 0 HG SER A 82 5.436 8.539 -4.657 1.00 0.94 H new ATOM 1337 N PHE A 83 2.470 6.747 -4.888 1.00 0.27 N ATOM 1338 CA PHE A 83 1.642 5.642 -4.425 1.00 0.26 C ATOM 1339 C PHE A 83 0.180 6.053 -4.368 1.00 0.26 C ATOM 1340 O PHE A 83 -0.708 5.240 -4.591 1.00 0.30 O ATOM 1341 CB PHE A 83 2.095 5.148 -3.050 1.00 0.27 C ATOM 1342 CG PHE A 83 3.204 4.139 -3.112 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.989 2.887 -3.667 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.457 4.437 -2.610 1.00 1.21 C ATOM 1345 CE1 PHE A 83 4.006 1.955 -3.722 1.00 1.23 C ATOM 1346 CE2 PHE A 83 5.478 3.509 -2.664 1.00 1.22 C ATOM 1347 CZ PHE A 83 5.254 2.266 -3.218 1.00 0.37 C ATOM 0 H PHE A 83 3.025 7.196 -4.159 1.00 0.27 H new ATOM 0 HA PHE A 83 1.754 4.826 -5.139 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.423 6.001 -2.456 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.243 4.708 -2.532 1.00 0.27 H new ATOM 0 HD1 PHE A 83 2.015 2.638 -4.061 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.639 5.407 -2.171 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.826 0.984 -4.159 1.00 1.23 H new ATOM 0 HE2 PHE A 83 6.453 3.757 -2.272 1.00 1.22 H new ATOM 0 HZ PHE A 83 6.051 1.539 -3.258 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.061 7.329 -4.088 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.418 7.834 -3.995 1.00 0.30 C ATOM 1359 C GLY A 84 -2.187 7.739 -5.300 1.00 0.30 C ATOM 1360 O GLY A 84 -3.344 7.320 -5.313 1.00 0.34 O ATOM 0 H GLY A 84 0.665 8.027 -3.923 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -1.953 7.278 -3.225 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.389 8.875 -3.674 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.543 8.098 -6.402 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.200 8.073 -7.708 1.00 0.36 C ATOM 1366 C LYS A 85 -2.570 6.650 -8.145 1.00 0.34 C ATOM 1367 O LYS A 85 -3.494 6.462 -8.935 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.328 8.753 -8.773 1.00 0.42 C ATOM 1369 CG LYS A 85 -0.040 8.011 -9.091 1.00 0.48 C ATOM 1370 CD LYS A 85 0.677 8.615 -10.290 1.00 0.62 C ATOM 1371 CE LYS A 85 1.821 9.529 -9.872 1.00 0.96 C ATOM 1372 NZ LYS A 85 1.345 10.706 -9.100 1.00 1.31 N ATOM 0 H LYS A 85 -0.572 8.409 -6.422 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.129 8.633 -7.606 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.909 8.858 -9.689 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.080 9.759 -8.435 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.618 8.036 -8.223 1.00 0.48 H new ATOM 0 HG3 LYS A 85 -0.264 6.963 -9.291 1.00 0.48 H new ATOM 0 HD2 LYS A 85 1.065 7.815 -10.921 1.00 0.62 H new ATOM 0 HD3 LYS A 85 -0.036 9.179 -10.892 1.00 0.62 H new ATOM 0 HE2 LYS A 85 2.533 8.965 -9.269 1.00 0.96 H new ATOM 0 HE3 LYS A 85 2.354 9.870 -10.759 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 2.134 11.367 -8.954 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 0.586 11.183 -9.627 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 0.981 10.392 -8.178 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.863 5.649 -7.631 1.00 0.28 N ATOM 1387 CA VAL A 86 -2.151 4.263 -7.994 1.00 0.29 C ATOM 1388 C VAL A 86 -2.881 3.533 -6.868 1.00 0.27 C ATOM 1389 O VAL A 86 -3.378 2.422 -7.058 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.871 3.478 -8.367 1.00 0.31 C ATOM 1391 CG1 VAL A 86 -0.302 3.965 -9.690 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.175 3.576 -7.269 1.00 0.31 C ATOM 0 H VAL A 86 -1.095 5.767 -6.970 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.796 4.306 -8.872 1.00 0.29 H new ATOM 0 HB VAL A 86 -1.148 2.429 -8.477 1.00 0.31 H new ATOM 0 HG11 VAL A 86 0.597 3.398 -9.930 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -1.042 3.824 -10.478 1.00 0.38 H new ATOM 0 HG13 VAL A 86 -0.053 5.023 -9.612 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.062 3.014 -7.561 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.442 4.621 -7.113 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.228 3.163 -6.344 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.954 4.171 -5.703 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.614 3.590 -4.538 1.00 0.30 C ATOM 1404 C ALA A 87 -5.075 3.283 -4.823 1.00 0.28 C ATOM 1405 O ALA A 87 -5.544 2.182 -4.553 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.495 4.523 -3.342 1.00 0.38 C ATOM 0 H ALA A 87 -2.561 5.098 -5.541 1.00 0.29 H new ATOM 0 HA ALA A 87 -3.113 2.650 -4.306 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.992 4.076 -2.481 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.442 4.685 -3.110 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.965 5.478 -3.577 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.779 4.258 -5.384 1.00 0.32 N ATOM 1413 CA ALA A 88 -7.195 4.100 -5.707 1.00 0.36 C ATOM 1414 C ALA A 88 -7.419 2.938 -6.671 1.00 0.34 C ATOM 1415 O ALA A 88 -8.352 2.150 -6.506 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.739 5.392 -6.294 1.00 0.45 C ATOM 0 H ALA A 88 -5.393 5.170 -5.626 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.732 3.872 -4.786 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.795 5.267 -6.532 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.624 6.198 -5.569 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -7.189 5.639 -7.202 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.542 2.830 -7.663 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.629 1.769 -8.659 1.00 0.32 C ATOM 1424 C GLU A 89 -6.474 0.403 -7.998 1.00 0.29 C ATOM 1425 O GLU A 89 -7.290 -0.496 -8.204 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.551 1.967 -9.728 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.624 0.971 -10.874 1.00 0.55 C ATOM 1428 CD GLU A 89 -6.970 0.980 -11.571 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -7.549 2.071 -11.748 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -7.458 -0.107 -11.940 1.00 1.56 O ATOM 0 H GLU A 89 -5.758 3.469 -7.799 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.610 1.812 -9.133 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.636 2.976 -10.132 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.570 1.893 -9.258 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.842 1.199 -11.599 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.423 -0.030 -10.493 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.430 0.263 -7.193 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.161 -0.986 -6.496 1.00 0.28 C ATOM 1439 C VAL A 90 -6.264 -1.294 -5.480 1.00 0.27 C ATOM 1440 O VAL A 90 -6.706 -2.438 -5.363 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.793 -0.946 -5.781 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.564 -2.210 -4.966 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.672 -0.758 -6.790 1.00 0.32 C ATOM 0 H VAL A 90 -4.753 1.003 -7.006 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.139 -1.777 -7.246 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.795 -0.098 -5.097 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.593 -2.154 -4.473 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.347 -2.305 -4.214 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.587 -3.077 -5.626 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.715 -0.732 -6.270 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.677 -1.586 -7.498 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.819 0.179 -7.327 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.717 -0.267 -4.766 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.765 -0.426 -3.763 1.00 0.28 C ATOM 1455 C LEU A 91 -9.054 -0.941 -4.393 1.00 0.27 C ATOM 1456 O LEU A 91 -9.653 -1.897 -3.901 1.00 0.30 O ATOM 1457 CB LEU A 91 -8.024 0.897 -3.036 1.00 0.31 C ATOM 1458 CG LEU A 91 -7.487 0.970 -1.603 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -8.120 -0.107 -0.737 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -5.970 0.847 -1.582 1.00 0.89 C ATOM 0 H LEU A 91 -6.373 0.688 -4.864 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.421 -1.163 -3.037 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.578 1.705 -3.616 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -9.099 1.077 -3.014 1.00 0.31 H new ATOM 0 HG LEU A 91 -7.754 1.944 -1.194 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -7.725 -0.038 0.277 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -9.201 0.032 -0.716 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.889 -1.089 -1.150 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.615 0.902 -0.553 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -5.676 -0.108 -2.017 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -5.531 1.659 -2.161 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.465 -0.315 -5.489 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.676 -0.734 -6.168 1.00 0.31 C ATOM 1474 C GLY A 92 -10.548 -2.131 -6.740 1.00 0.33 C ATOM 1475 O GLY A 92 -11.542 -2.838 -6.913 1.00 0.41 O ATOM 0 H GLY A 92 -8.982 0.474 -5.919 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.513 -0.703 -5.470 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.904 -0.032 -6.971 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.318 -2.534 -7.018 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.054 -3.851 -7.570 1.00 0.37 C ATOM 1481 C ARG A 93 -9.100 -4.924 -6.485 1.00 0.37 C ATOM 1482 O ARG A 93 -9.816 -5.913 -6.618 1.00 0.42 O ATOM 1483 CB ARG A 93 -7.698 -3.872 -8.271 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.794 -3.750 -9.784 1.00 0.59 C ATOM 1485 CD ARG A 93 -8.363 -5.015 -10.410 1.00 0.95 C ATOM 1486 NE ARG A 93 -7.617 -6.208 -10.002 1.00 1.84 N ATOM 1487 CZ ARG A 93 -6.889 -6.961 -10.826 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -6.824 -6.682 -12.123 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -6.240 -8.012 -10.347 1.00 3.46 N ATOM 0 H ARG A 93 -8.485 -1.965 -6.869 1.00 0.31 H new ATOM 0 HA ARG A 93 -9.834 -4.071 -8.299 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.087 -3.055 -7.887 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -7.183 -4.800 -8.021 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -8.425 -2.899 -10.042 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -6.805 -3.551 -10.198 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.409 -5.124 -10.122 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -8.339 -4.925 -11.496 1.00 0.95 H new ATOM 0 HE ARG A 93 -7.658 -6.481 -9.020 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -7.335 -5.883 -12.499 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -6.263 -7.266 -12.743 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -6.300 -8.239 -9.354 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -5.681 -8.594 -10.971 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.361 -4.719 -5.400 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.331 -5.698 -4.316 1.00 0.40 C ATOM 1505 C ILE A 94 -9.675 -5.768 -3.597 1.00 0.39 C ATOM 1506 O ILE A 94 -10.001 -6.778 -2.976 1.00 0.43 O ATOM 1507 CB ILE A 94 -7.208 -5.421 -3.290 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.376 -4.044 -2.646 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -5.847 -5.535 -3.961 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -6.447 -3.800 -1.477 1.00 0.50 C ATOM 0 H ILE A 94 -7.781 -3.894 -5.247 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.122 -6.659 -4.786 1.00 0.40 H new ATOM 0 HB ILE A 94 -7.275 -6.168 -2.500 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.204 -3.277 -3.401 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -8.407 -3.934 -2.308 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -5.063 -5.338 -3.230 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -5.723 -6.540 -4.364 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -5.779 -4.809 -4.771 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.625 -2.803 -1.073 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -6.633 -4.544 -0.703 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -5.413 -3.876 -1.812 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.463 -4.699 -3.708 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.782 -4.645 -3.075 1.00 0.40 C ATOM 1524 C ASN A 95 -12.724 -5.677 -3.697 1.00 0.43 C ATOM 1525 O ASN A 95 -13.644 -6.168 -3.044 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.382 -3.241 -3.213 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.660 -3.068 -2.410 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -13.824 -3.656 -1.343 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.577 -2.262 -2.924 1.00 0.79 N ATOM 0 H ASN A 95 -10.212 -3.859 -4.230 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.661 -4.878 -2.017 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.649 -2.503 -2.885 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.588 -3.040 -4.264 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.457 -2.111 -2.431 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.403 -1.792 -3.812 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.489 -6.008 -4.961 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.324 -6.983 -5.652 1.00 0.48 C ATOM 1538 C GLN A 96 -12.661 -8.362 -5.652 1.00 0.49 C ATOM 1539 O GLN A 96 -13.292 -9.371 -5.977 1.00 0.66 O ATOM 1540 CB GLN A 96 -13.617 -6.522 -7.085 1.00 0.59 C ATOM 1541 CG GLN A 96 -12.405 -6.536 -8.002 1.00 0.93 C ATOM 1542 CD GLN A 96 -12.665 -5.855 -9.331 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -13.112 -6.487 -10.287 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -12.385 -4.561 -9.398 1.00 1.14 N ATOM 0 H GLN A 96 -11.733 -5.619 -5.525 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.271 -7.062 -5.117 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -14.389 -7.163 -7.511 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.024 -5.511 -7.054 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -11.572 -6.042 -7.503 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -12.103 -7.568 -8.181 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -12.016 -4.076 -8.580 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -12.539 -4.050 -10.267 1.00 1.14 H new ATOM 1553 N GLU A 97 -11.391 -8.400 -5.272 1.00 0.42 N ATOM 1554 CA GLU A 97 -10.647 -9.650 -5.227 1.00 0.48 C ATOM 1555 C GLU A 97 -10.754 -10.289 -3.848 1.00 0.44 C ATOM 1556 O GLU A 97 -10.843 -11.511 -3.726 1.00 0.54 O ATOM 1557 CB GLU A 97 -9.179 -9.425 -5.589 1.00 0.56 C ATOM 1558 CG GLU A 97 -8.958 -9.049 -7.047 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.492 -9.025 -7.426 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -6.838 -10.088 -7.367 1.00 1.30 O ATOM 1561 OE2 GLU A 97 -6.981 -7.948 -7.787 1.00 1.33 O ATOM 0 H GLU A 97 -10.855 -7.579 -4.991 1.00 0.42 H new ATOM 0 HA GLU A 97 -11.084 -10.326 -5.962 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -8.774 -8.636 -4.955 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -8.616 -10.332 -5.368 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -9.483 -9.760 -7.685 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -9.394 -8.068 -7.236 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.742 -9.458 -2.813 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.851 -9.944 -1.444 1.00 0.43 C ATOM 1570 C PHE A 98 -12.282 -10.405 -1.167 1.00 0.49 C ATOM 1571 O PHE A 98 -13.233 -9.679 -1.456 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.451 -8.850 -0.442 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.979 -8.507 -0.438 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -8.087 -9.157 -1.279 1.00 1.22 C ATOM 1575 CD2 PHE A 98 -8.488 -7.527 0.413 1.00 1.34 C ATOM 1576 CE1 PHE A 98 -6.742 -8.838 -1.270 1.00 1.21 C ATOM 1577 CE2 PHE A 98 -7.144 -7.205 0.424 1.00 1.39 C ATOM 1578 CZ PHE A 98 -6.269 -7.861 -0.419 1.00 0.56 C ATOM 0 H PHE A 98 -10.658 -8.445 -2.896 1.00 0.38 H new ATOM 0 HA PHE A 98 -10.170 -10.787 -1.323 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -11.020 -7.947 -0.664 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.739 -9.170 0.559 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.448 -9.922 -1.950 1.00 1.22 H new ATOM 0 HD2 PHE A 98 -9.165 -7.009 1.076 1.00 1.34 H new ATOM 0 HE1 PHE A 98 -6.061 -9.354 -1.930 1.00 1.21 H new ATOM 0 HE2 PHE A 98 -6.778 -6.440 1.092 1.00 1.39 H new ATOM 0 HZ PHE A 98 -5.219 -7.610 -0.412 1.00 0.56 H new ATOM 1588 N PRO A 99 -12.448 -11.621 -0.616 1.00 0.58 N ATOM 1589 CA PRO A 99 -13.767 -12.195 -0.307 1.00 0.70 C ATOM 1590 C PRO A 99 -14.648 -11.269 0.538 1.00 0.77 C ATOM 1591 O PRO A 99 -15.573 -10.646 0.018 1.00 1.47 O ATOM 1592 CB PRO A 99 -13.438 -13.487 0.457 1.00 0.78 C ATOM 1593 CG PRO A 99 -11.989 -13.386 0.804 1.00 0.82 C ATOM 1594 CD PRO A 99 -11.362 -12.546 -0.265 1.00 0.63 C ATOM 0 HA PRO A 99 -14.347 -12.361 -1.215 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -14.051 -13.580 1.354 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -13.635 -14.367 -0.156 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -11.854 -12.931 1.786 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -11.528 -14.373 0.844 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -10.480 -12.018 0.098 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -11.046 -13.145 -1.119 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.378 -11.187 1.841 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.163 -10.318 2.717 1.00 0.65 C ATOM 1604 C ARG A 100 -14.381 -9.909 3.963 1.00 0.61 C ATOM 1605 O ARG A 100 -14.231 -8.724 4.241 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.493 -10.982 3.112 1.00 0.83 C ATOM 1607 CG ARG A 100 -16.443 -12.501 3.166 1.00 1.54 C ATOM 1608 CD ARG A 100 -17.778 -13.117 2.775 1.00 2.05 C ATOM 1609 NE ARG A 100 -17.654 -14.545 2.483 1.00 2.97 N ATOM 1610 CZ ARG A 100 -17.767 -15.072 1.262 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -18.100 -14.308 0.226 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -17.570 -16.372 1.084 1.00 4.87 N ATOM 0 H ARG A 100 -13.633 -11.704 2.308 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.383 -9.413 2.151 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -16.798 -10.605 4.088 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -17.261 -10.681 2.400 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -15.663 -12.864 2.497 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -16.174 -12.822 4.172 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -18.495 -12.972 3.583 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -18.174 -12.601 1.901 1.00 2.05 H new ATOM 0 HE ARG A 100 -17.470 -15.178 3.261 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -18.271 -13.312 0.361 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -18.184 -14.718 -0.704 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -17.333 -16.965 1.879 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -17.656 -16.778 0.152 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.859 -10.884 4.698 1.00 0.61 N ATOM 1627 CA ASP A 101 -13.100 -10.596 5.918 1.00 0.66 C ATOM 1628 C ASP A 101 -11.814 -9.843 5.592 1.00 0.59 C ATOM 1629 O ASP A 101 -11.361 -8.997 6.363 1.00 0.70 O ATOM 1630 CB ASP A 101 -12.773 -11.887 6.676 1.00 0.84 C ATOM 1631 CG ASP A 101 -12.491 -11.639 8.147 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -13.363 -11.062 8.833 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -11.396 -12.015 8.624 1.00 2.35 O ATOM 0 H ASP A 101 -13.944 -11.876 4.476 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.722 -9.966 6.555 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -13.607 -12.582 6.581 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -11.907 -12.364 6.218 1.00 0.84 H new ATOM 1638 N LEU A 102 -11.235 -10.146 4.437 1.00 0.55 N ATOM 1639 CA LEU A 102 -10.004 -9.496 4.006 1.00 0.57 C ATOM 1640 C LEU A 102 -10.276 -8.064 3.548 1.00 0.54 C ATOM 1641 O LEU A 102 -9.501 -7.152 3.844 1.00 0.64 O ATOM 1642 CB LEU A 102 -9.335 -10.289 2.876 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.799 -11.669 3.268 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -8.158 -12.352 2.070 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -7.797 -11.554 4.406 1.00 0.85 C ATOM 0 H LEU A 102 -11.598 -10.838 3.782 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.327 -9.466 4.860 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -10.055 -10.414 2.068 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.510 -9.697 2.479 1.00 0.60 H new ATOM 0 HG LEU A 102 -9.639 -12.275 3.608 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -7.783 -13.331 2.367 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -8.899 -12.472 1.280 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -7.332 -11.743 1.703 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -7.429 -12.546 4.668 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -6.961 -10.928 4.093 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.281 -11.106 5.273 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.397 -7.855 2.856 1.00 0.50 N ATOM 1658 CA LYS A 103 -11.747 -6.525 2.363 1.00 0.54 C ATOM 1659 C LYS A 103 -12.198 -5.632 3.516 1.00 0.52 C ATOM 1660 O LYS A 103 -12.367 -4.425 3.361 1.00 0.56 O ATOM 1661 CB LYS A 103 -12.824 -6.606 1.266 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.255 -6.604 1.778 1.00 0.95 C ATOM 1663 CD LYS A 103 -15.241 -6.338 0.647 1.00 1.22 C ATOM 1664 CE LYS A 103 -15.324 -7.515 -0.313 1.00 1.66 C ATOM 1665 NZ LYS A 103 -15.812 -7.106 -1.656 1.00 2.36 N ATOM 0 H LYS A 103 -12.072 -8.584 2.626 1.00 0.50 H new ATOM 0 HA LYS A 103 -10.858 -6.080 1.916 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -12.695 -5.764 0.586 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -12.662 -7.513 0.684 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -14.480 -7.564 2.243 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.368 -5.842 2.550 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -16.228 -6.138 1.064 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -14.938 -5.444 0.102 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -14.340 -7.974 -0.409 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -15.990 -8.273 0.099 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -16.310 -7.903 -2.102 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -16.464 -6.301 -1.558 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -15.004 -6.827 -2.249 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.365 -6.246 4.677 1.00 0.51 N ATOM 1680 CA LYS A 104 -12.766 -5.543 5.882 1.00 0.56 C ATOM 1681 C LYS A 104 -11.547 -4.871 6.511 1.00 0.55 C ATOM 1682 O LYS A 104 -11.663 -4.049 7.419 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.398 -6.541 6.857 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.064 -5.911 8.070 1.00 1.14 C ATOM 1685 CD LYS A 104 -14.646 -6.973 8.993 1.00 1.34 C ATOM 1686 CE LYS A 104 -13.553 -7.747 9.719 1.00 1.98 C ATOM 1687 NZ LYS A 104 -14.079 -8.969 10.385 1.00 2.57 N ATOM 0 H LYS A 104 -12.226 -7.248 4.809 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.498 -4.773 5.640 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -14.139 -7.133 6.320 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -12.627 -7.230 7.200 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -13.337 -5.310 8.616 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -14.855 -5.236 7.744 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -15.304 -6.501 9.723 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -15.258 -7.664 8.413 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -12.776 -8.028 9.008 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -13.086 -7.102 10.463 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -13.742 -9.001 11.368 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -15.119 -8.949 10.376 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -13.744 -9.813 9.877 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.370 -5.222 6.005 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.126 -4.662 6.513 1.00 0.60 C ATOM 1703 C LYS A 105 -8.676 -3.468 5.681 1.00 0.52 C ATOM 1704 O LYS A 105 -8.040 -2.552 6.204 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.022 -5.723 6.549 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.330 -6.907 7.456 1.00 0.88 C ATOM 1707 CD LYS A 105 -8.694 -6.470 8.871 1.00 1.26 C ATOM 1708 CE LYS A 105 -7.539 -5.767 9.568 1.00 1.76 C ATOM 1709 NZ LYS A 105 -7.896 -5.365 10.954 1.00 2.44 N ATOM 0 H LYS A 105 -10.253 -5.891 5.244 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.315 -4.319 7.530 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -7.851 -6.089 5.537 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.094 -5.256 6.880 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -9.153 -7.482 7.032 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -7.465 -7.569 7.493 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -9.555 -5.802 8.834 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -8.992 -7.342 9.454 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -6.672 -6.428 9.593 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -7.251 -4.885 8.996 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -7.085 -4.889 11.397 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -8.707 -4.715 10.929 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -8.146 -6.210 11.507 1.00 2.44 H new ATOM 1723 N LEU A 106 -9.011 -3.464 4.390 1.00 0.51 N ATOM 1724 CA LEU A 106 -8.620 -2.357 3.525 1.00 0.52 C ATOM 1725 C LEU A 106 -9.398 -1.101 3.893 1.00 0.45 C ATOM 1726 O LEU A 106 -8.912 0.016 3.731 1.00 0.46 O ATOM 1727 CB LEU A 106 -8.791 -2.703 2.034 1.00 0.65 C ATOM 1728 CG LEU A 106 -10.188 -3.145 1.576 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -11.038 -1.944 1.187 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -10.072 -4.106 0.401 1.00 1.04 C ATOM 0 H LEU A 106 -9.543 -4.202 3.929 1.00 0.51 H new ATOM 0 HA LEU A 106 -7.558 -2.168 3.684 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -8.503 -1.830 1.449 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -8.087 -3.498 1.788 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.676 -3.653 2.408 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -12.023 -2.284 0.866 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -11.145 -1.281 2.045 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -10.556 -1.406 0.371 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -11.068 -4.414 0.083 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -9.564 -3.610 -0.426 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -9.500 -4.983 0.704 1.00 1.04 H new ATOM 1742 N SER A 107 -10.595 -1.295 4.423 1.00 0.45 N ATOM 1743 CA SER A 107 -11.436 -0.189 4.836 1.00 0.46 C ATOM 1744 C SER A 107 -10.820 0.518 6.040 1.00 0.47 C ATOM 1745 O SER A 107 -10.901 1.737 6.171 1.00 0.51 O ATOM 1746 CB SER A 107 -12.825 -0.719 5.182 1.00 0.54 C ATOM 1747 OG SER A 107 -12.834 -2.138 5.129 1.00 1.15 O ATOM 0 H SER A 107 -11.006 -2.216 4.577 1.00 0.45 H new ATOM 0 HA SER A 107 -11.518 0.531 4.022 1.00 0.46 H new ATOM 0 HB2 SER A 107 -13.113 -0.383 6.178 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.560 -0.317 4.485 1.00 0.54 H new ATOM 0 HG SER A 107 -13.729 -2.468 5.354 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.173 -0.266 6.896 1.00 0.49 N ATOM 1754 CA ARG A 108 -9.535 0.260 8.095 1.00 0.55 C ATOM 1755 C ARG A 108 -8.360 1.161 7.739 1.00 0.54 C ATOM 1756 O ARG A 108 -8.284 2.301 8.199 1.00 0.62 O ATOM 1757 CB ARG A 108 -9.064 -0.886 8.993 1.00 0.67 C ATOM 1758 CG ARG A 108 -10.167 -1.871 9.345 1.00 1.10 C ATOM 1759 CD ARG A 108 -11.280 -1.207 10.143 1.00 1.49 C ATOM 1760 NE ARG A 108 -12.300 -2.170 10.541 1.00 2.15 N ATOM 1761 CZ ARG A 108 -13.585 -2.087 10.206 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -14.032 -1.072 9.475 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -14.427 -3.029 10.608 1.00 3.60 N ATOM 0 H ARG A 108 -10.077 -1.275 6.779 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.271 0.855 8.635 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -8.256 -1.420 8.493 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -8.651 -0.471 9.912 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -10.579 -2.298 8.431 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -9.748 -2.696 9.921 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -10.860 -0.733 11.030 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -11.737 -0.418 9.546 1.00 1.49 H new ATOM 0 HE ARG A 108 -12.009 -2.961 11.115 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -13.388 -0.345 9.164 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -15.019 -1.020 9.225 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -14.088 -3.810 11.170 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -15.414 -2.973 10.355 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.460 0.656 6.902 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.289 1.421 6.494 1.00 0.60 C ATOM 1779 C VAL A 109 -6.702 2.647 5.674 1.00 0.57 C ATOM 1780 O VAL A 109 -6.156 3.737 5.860 1.00 0.61 O ATOM 1781 CB VAL A 109 -5.279 0.548 5.707 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -5.953 -0.219 4.585 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -4.140 1.389 5.164 1.00 1.25 C ATOM 0 H VAL A 109 -7.519 -0.277 6.494 1.00 0.53 H new ATOM 0 HA VAL A 109 -5.789 1.763 7.400 1.00 0.60 H new ATOM 0 HB VAL A 109 -4.869 -0.179 6.408 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -5.211 -0.819 4.057 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -6.720 -0.873 5.001 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -6.413 0.483 3.890 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -3.446 0.751 4.616 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -4.538 2.152 4.495 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -3.616 1.869 5.990 1.00 1.25 H new ATOM 1793 N VAL A 110 -7.688 2.474 4.798 1.00 0.54 N ATOM 1794 CA VAL A 110 -8.176 3.576 3.975 1.00 0.59 C ATOM 1795 C VAL A 110 -8.761 4.671 4.861 1.00 0.54 C ATOM 1796 O VAL A 110 -8.509 5.859 4.648 1.00 0.54 O ATOM 1797 CB VAL A 110 -9.233 3.096 2.949 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -10.099 4.248 2.462 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -8.552 2.416 1.772 1.00 1.06 C ATOM 0 H VAL A 110 -8.163 1.585 4.640 1.00 0.54 H new ATOM 0 HA VAL A 110 -7.330 3.977 3.417 1.00 0.59 H new ATOM 0 HB VAL A 110 -9.883 2.378 3.449 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -10.829 3.876 1.744 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -10.619 4.696 3.309 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -9.470 4.999 1.984 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -9.306 2.083 1.058 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -7.877 3.120 1.285 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -7.984 1.556 2.127 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.523 4.257 5.867 1.00 0.55 N ATOM 1810 CA ASN A 111 -10.137 5.194 6.798 1.00 0.59 C ATOM 1811 C ASN A 111 -9.061 6.018 7.491 1.00 0.57 C ATOM 1812 O ASN A 111 -9.145 7.241 7.545 1.00 0.60 O ATOM 1813 CB ASN A 111 -10.981 4.448 7.838 1.00 0.68 C ATOM 1814 CG ASN A 111 -11.769 5.387 8.734 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -11.272 5.860 9.757 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -13.012 5.647 8.368 1.00 1.74 N ATOM 0 H ASN A 111 -9.730 3.277 6.058 1.00 0.55 H new ATOM 0 HA ASN A 111 -10.792 5.861 6.238 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -11.670 3.776 7.327 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.329 3.828 8.453 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -13.595 6.258 8.940 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -13.389 5.236 7.514 1.00 1.74 H new ATOM 1823 N ILE A 112 -8.037 5.338 7.985 1.00 0.57 N ATOM 1824 CA ILE A 112 -6.937 5.991 8.677 1.00 0.61 C ATOM 1825 C ILE A 112 -6.218 6.985 7.765 1.00 0.57 C ATOM 1826 O ILE A 112 -6.016 8.144 8.131 1.00 0.62 O ATOM 1827 CB ILE A 112 -5.923 4.949 9.202 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -6.566 4.088 10.292 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -4.670 5.631 9.736 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -5.739 2.881 10.676 1.00 1.21 C ATOM 0 H ILE A 112 -7.946 4.324 7.918 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.363 6.535 9.520 1.00 0.61 H new ATOM 0 HB ILE A 112 -5.632 4.306 8.371 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -6.731 4.701 11.178 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -7.545 3.753 9.949 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -3.972 4.877 10.100 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.200 6.205 8.938 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -4.940 6.300 10.553 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -6.256 2.318 11.453 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -5.595 2.246 9.802 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -4.769 3.209 11.050 1.00 1.21 H new ATOM 1842 N LEU A 113 -5.862 6.535 6.569 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.147 7.372 5.610 1.00 0.52 C ATOM 1844 C LEU A 113 -5.943 8.621 5.237 1.00 0.48 C ATOM 1845 O LEU A 113 -5.373 9.705 5.099 1.00 0.53 O ATOM 1846 CB LEU A 113 -4.814 6.574 4.345 1.00 0.56 C ATOM 1847 CG LEU A 113 -3.898 5.364 4.556 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -3.710 4.599 3.256 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -2.550 5.800 5.115 1.00 1.27 C ATOM 0 H LEU A 113 -6.057 5.590 6.237 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.223 7.694 6.091 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -5.746 6.230 3.897 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -4.343 7.244 3.626 1.00 0.56 H new ATOM 0 HG LEU A 113 -4.373 4.702 5.280 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -3.056 3.744 3.428 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -4.678 4.249 2.896 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -3.261 5.254 2.510 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -1.915 4.926 5.257 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.071 6.486 4.417 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -2.698 6.301 6.072 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.252 8.484 5.085 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.079 9.627 4.715 1.00 0.50 C ATOM 1863 C LYS A 114 -8.435 10.488 5.931 1.00 0.52 C ATOM 1864 O LYS A 114 -8.743 11.672 5.787 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.342 9.174 3.971 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.388 8.502 4.845 1.00 0.69 C ATOM 1867 CD LYS A 114 -11.492 7.885 4.002 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.843 7.974 4.692 1.00 1.33 C ATOM 1869 NZ LYS A 114 -13.467 9.317 4.530 1.00 1.69 N ATOM 0 H LYS A 114 -7.760 7.608 5.209 1.00 0.47 H new ATOM 0 HA LYS A 114 -7.492 10.248 4.039 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -9.794 10.041 3.489 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.052 8.484 3.179 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -9.916 7.730 5.453 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.816 9.232 5.532 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -11.541 8.393 3.039 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -11.255 6.841 3.800 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -13.509 7.214 4.284 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -12.723 7.756 5.753 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.308 9.385 5.138 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -12.783 10.052 4.801 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -13.746 9.453 3.537 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.392 9.904 7.123 1.00 0.54 N ATOM 1884 CA GLU A 115 -8.696 10.648 8.342 1.00 0.61 C ATOM 1885 C GLU A 115 -7.503 11.498 8.759 1.00 0.61 C ATOM 1886 O GLU A 115 -7.663 12.616 9.247 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.086 9.705 9.480 1.00 0.68 C ATOM 1888 CG GLU A 115 -10.541 9.266 9.437 1.00 0.98 C ATOM 1889 CD GLU A 115 -11.489 10.410 9.140 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -11.452 11.423 9.871 1.00 1.99 O ATOM 1891 OE2 GLU A 115 -12.268 10.308 8.166 1.00 2.20 O ATOM 0 H GLU A 115 -8.151 8.924 7.272 1.00 0.54 H new ATOM 0 HA GLU A 115 -9.543 11.301 8.131 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -8.448 8.822 9.444 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -8.893 10.199 10.432 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -10.661 8.494 8.677 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -10.809 8.817 10.393 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.304 10.959 8.562 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.074 11.672 8.906 1.00 0.62 C ATOM 1900 C ARG A 116 -4.663 12.596 7.767 1.00 0.58 C ATOM 1901 O ARG A 116 -3.636 13.272 7.839 1.00 0.63 O ATOM 1902 CB ARG A 116 -3.940 10.689 9.215 1.00 0.67 C ATOM 1903 CG ARG A 116 -4.316 9.628 10.235 1.00 0.80 C ATOM 1904 CD ARG A 116 -4.706 10.243 11.568 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.541 10.718 12.307 1.00 1.74 N ATOM 1906 CZ ARG A 116 -3.131 10.197 13.460 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -3.790 9.179 14.010 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -2.062 10.695 14.061 1.00 3.23 N ATOM 0 H ARG A 116 -6.156 10.031 8.166 1.00 0.57 H new ATOM 0 HA ARG A 116 -5.267 12.268 9.798 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -3.633 10.200 8.291 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.078 11.246 9.583 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -5.145 9.033 9.852 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -3.476 8.948 10.380 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -5.392 11.073 11.399 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -5.240 9.505 12.167 1.00 1.19 H new ATOM 0 HE ARG A 116 -3.009 11.496 11.916 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -4.614 8.795 13.547 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -3.471 8.783 14.894 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -1.557 11.475 13.640 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -1.743 10.299 14.945 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.483 12.609 6.716 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.242 13.440 5.537 1.00 0.52 C ATOM 1924 C ASN A 117 -3.886 13.123 4.911 1.00 0.50 C ATOM 1925 O ASN A 117 -3.100 14.025 4.605 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.324 14.932 5.887 1.00 0.63 C ATOM 1927 CG ASN A 117 -6.685 15.357 6.421 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -6.791 16.333 7.167 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -7.736 14.642 6.046 1.00 1.74 N ATOM 0 H ASN A 117 -6.331 12.045 6.658 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.022 13.211 4.810 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -4.562 15.165 6.631 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -5.092 15.519 4.998 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -8.668 14.894 6.376 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -7.613 13.840 5.428 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.618 11.836 4.729 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.369 11.389 4.132 1.00 0.48 C ATOM 1938 C ILE A 118 -2.347 11.748 2.652 1.00 0.47 C ATOM 1939 O ILE A 118 -1.393 12.352 2.162 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.179 9.860 4.295 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -1.986 9.494 5.770 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -1.003 9.359 3.466 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -0.803 10.182 6.422 1.00 0.61 C ATOM 0 H ILE A 118 -4.253 11.081 4.988 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.552 11.892 4.649 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.082 9.372 3.930 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -2.892 9.750 6.320 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -1.858 8.415 5.853 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -0.895 8.283 3.601 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -1.181 9.576 2.413 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.090 9.859 3.790 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -0.732 9.873 7.465 1.00 0.61 H new ATOM 0 HD12 ILE A 118 0.112 9.906 5.898 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -0.938 11.262 6.372 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.412 11.388 1.954 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.526 11.672 0.535 1.00 0.47 C ATOM 1957 C PHE A 119 -4.406 12.890 0.310 1.00 0.49 C ATOM 1958 O PHE A 119 -5.204 13.258 1.177 1.00 0.51 O ATOM 1959 CB PHE A 119 -4.115 10.469 -0.209 1.00 0.48 C ATOM 1960 CG PHE A 119 -3.293 9.217 -0.096 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.944 9.221 -0.412 1.00 1.12 C ATOM 1962 CD2 PHE A 119 -3.874 8.032 0.323 1.00 1.26 C ATOM 1963 CE1 PHE A 119 -1.191 8.067 -0.313 1.00 1.13 C ATOM 1964 CE2 PHE A 119 -3.128 6.875 0.423 1.00 1.26 C ATOM 1965 CZ PHE A 119 -1.785 6.892 0.105 1.00 0.44 C ATOM 0 H PHE A 119 -4.213 10.896 2.351 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.528 11.874 0.147 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -5.115 10.271 0.177 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -4.225 10.725 -1.263 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.476 10.137 -0.740 1.00 1.12 H new ATOM 0 HD2 PHE A 119 -4.924 8.013 0.575 1.00 1.26 H new ATOM 0 HE1 PHE A 119 -0.140 8.083 -0.562 1.00 1.13 H new ATOM 0 HE2 PHE A 119 -3.595 5.957 0.750 1.00 1.26 H new ATOM 0 HZ PHE A 119 -1.199 5.988 0.183 1.00 0.44 H new ATOM 1975 N SER A 120 -4.254 13.515 -0.847 1.00 0.51 N ATOM 1976 CA SER A 120 -5.043 14.681 -1.194 1.00 0.55 C ATOM 1977 C SER A 120 -6.508 14.284 -1.376 1.00 0.50 C ATOM 1978 O SER A 120 -6.809 13.125 -1.671 1.00 0.48 O ATOM 1979 CB SER A 120 -4.488 15.313 -2.469 1.00 0.63 C ATOM 1980 OG SER A 120 -3.068 15.397 -2.410 1.00 1.30 O ATOM 0 H SER A 120 -3.587 13.230 -1.564 1.00 0.51 H new ATOM 0 HA SER A 120 -4.986 15.414 -0.389 1.00 0.55 H new ATOM 0 HB2 SER A 120 -4.787 14.721 -3.334 1.00 0.63 H new ATOM 0 HB3 SER A 120 -4.911 16.309 -2.602 1.00 0.63 H new ATOM 0 HG SER A 120 -2.730 15.803 -3.235 1.00 1.30 H new ATOM 1986 N LYS A 121 -7.409 15.244 -1.208 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.845 14.995 -1.330 1.00 0.56 C ATOM 1988 C LYS A 121 -9.205 14.382 -2.681 1.00 0.53 C ATOM 1989 O LYS A 121 -10.116 13.560 -2.769 1.00 0.52 O ATOM 1990 CB LYS A 121 -9.622 16.288 -1.116 1.00 0.70 C ATOM 1991 CG LYS A 121 -9.558 16.792 0.314 1.00 1.23 C ATOM 1992 CD LYS A 121 -10.087 18.206 0.431 1.00 1.78 C ATOM 1993 CE LYS A 121 -11.578 18.275 0.149 1.00 2.37 C ATOM 1994 NZ LYS A 121 -12.100 19.654 0.309 1.00 2.85 N ATOM 0 H LYS A 121 -7.171 16.210 -0.985 1.00 0.56 H new ATOM 0 HA LYS A 121 -9.120 14.275 -0.559 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -9.229 17.055 -1.783 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -10.664 16.128 -1.392 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -10.137 16.132 0.959 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -8.527 16.758 0.666 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -9.888 18.587 1.433 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -9.555 18.852 -0.267 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -11.774 17.927 -0.865 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -12.108 17.604 0.825 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -13.121 19.664 0.109 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -11.935 19.977 1.284 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -11.611 20.289 -0.353 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.480 14.781 -3.724 1.00 0.60 N ATOM 2009 CA GLN A 122 -8.715 14.257 -5.067 1.00 0.67 C ATOM 2010 C GLN A 122 -8.528 12.742 -5.077 1.00 0.60 C ATOM 2011 O GLN A 122 -9.311 12.007 -5.679 1.00 0.73 O ATOM 2012 CB GLN A 122 -7.754 14.905 -6.065 1.00 0.80 C ATOM 2013 CG GLN A 122 -8.143 14.693 -7.521 1.00 1.48 C ATOM 2014 CD GLN A 122 -9.251 15.622 -7.969 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -10.433 15.297 -7.878 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -8.873 16.792 -8.457 1.00 2.69 N ATOM 0 H GLN A 122 -7.726 15.465 -3.665 1.00 0.60 H new ATOM 0 HA GLN A 122 -9.738 14.493 -5.359 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -7.704 15.975 -5.864 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -6.753 14.504 -5.904 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -7.268 14.846 -8.153 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -8.461 13.660 -7.661 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -7.881 17.024 -8.516 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -9.573 17.462 -8.775 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.492 12.288 -4.383 1.00 0.51 N ATOM 2026 CA VAL A 123 -7.188 10.868 -4.295 1.00 0.53 C ATOM 2027 C VAL A 123 -8.207 10.163 -3.407 1.00 0.48 C ATOM 2028 O VAL A 123 -8.722 9.103 -3.758 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.770 10.628 -3.733 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.423 9.148 -3.755 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -4.736 11.436 -4.507 1.00 1.28 C ATOM 0 H VAL A 123 -6.845 12.888 -3.871 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.235 10.460 -5.305 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.757 10.964 -2.696 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.420 9.004 -3.354 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -6.140 8.597 -3.146 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.461 8.781 -4.781 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -3.745 11.251 -4.093 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -4.753 11.139 -5.556 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -4.970 12.498 -4.427 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.508 10.772 -2.265 1.00 0.48 N ATOM 2042 CA VAL A 124 -9.465 10.207 -1.318 1.00 0.49 C ATOM 2043 C VAL A 124 -10.826 9.996 -1.978 1.00 0.47 C ATOM 2044 O VAL A 124 -11.449 8.946 -1.811 1.00 0.50 O ATOM 2045 CB VAL A 124 -9.634 11.110 -0.076 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -10.647 10.519 0.892 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -8.294 11.329 0.614 1.00 1.11 C ATOM 0 H VAL A 124 -8.102 11.660 -1.971 1.00 0.48 H new ATOM 0 HA VAL A 124 -9.066 9.244 -0.998 1.00 0.49 H new ATOM 0 HB VAL A 124 -10.011 12.077 -0.409 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -10.748 11.174 1.758 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -11.612 10.424 0.395 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -10.308 9.536 1.218 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -8.434 11.967 1.486 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -7.886 10.369 0.929 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -7.602 11.808 -0.079 1.00 1.11 H new ATOM 2057 N ASN A 125 -11.263 10.994 -2.742 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.540 10.929 -3.438 1.00 0.50 C ATOM 2059 C ASN A 125 -12.575 9.718 -4.366 1.00 0.49 C ATOM 2060 O ASN A 125 -13.541 8.954 -4.373 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.775 12.217 -4.242 1.00 0.58 C ATOM 2062 CG ASN A 125 -14.213 12.385 -4.705 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -14.935 11.412 -4.913 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -14.636 13.629 -4.871 1.00 1.74 N ATOM 0 H ASN A 125 -10.747 11.860 -2.894 1.00 0.47 H new ATOM 0 HA ASN A 125 -13.334 10.828 -2.698 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -12.495 13.075 -3.630 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -12.118 12.218 -5.112 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -15.591 13.806 -5.182 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -14.006 14.410 -4.688 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.494 9.528 -5.117 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.396 8.413 -6.054 1.00 0.48 C ATOM 2073 C ASP A 126 -11.444 7.070 -5.326 1.00 0.45 C ATOM 2074 O ASP A 126 -12.070 6.122 -5.802 1.00 0.48 O ATOM 2075 CB ASP A 126 -10.112 8.517 -6.883 1.00 0.52 C ATOM 2076 CG ASP A 126 -10.238 7.827 -8.229 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -10.877 8.402 -9.139 1.00 1.43 O ATOM 2078 OD2 ASP A 126 -9.698 6.715 -8.391 1.00 1.44 O ATOM 0 H ASP A 126 -10.673 10.132 -5.095 1.00 0.47 H new ATOM 0 HA ASP A 126 -12.254 8.468 -6.724 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -9.866 9.568 -7.037 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -9.286 8.075 -6.326 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.797 7.000 -4.164 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.776 5.772 -3.364 1.00 0.42 C ATOM 2085 C ILE A 127 -12.170 5.450 -2.829 1.00 0.43 C ATOM 2086 O ILE A 127 -12.639 4.314 -2.918 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.795 5.879 -2.171 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.375 6.181 -2.662 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.811 4.592 -1.354 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.391 6.474 -1.548 1.00 0.46 C ATOM 0 H ILE A 127 -10.280 7.778 -3.754 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.439 4.973 -4.024 1.00 0.42 H new ATOM 0 HB ILE A 127 -10.119 6.702 -1.534 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -8.012 5.331 -3.240 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.409 7.035 -3.338 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -9.116 4.683 -0.519 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.817 4.416 -0.972 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -9.511 3.756 -1.986 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.409 6.678 -1.974 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.729 7.343 -0.983 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -7.326 5.612 -0.884 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.832 6.457 -2.283 1.00 0.46 N ATOM 2103 CA GLU A 128 -14.172 6.278 -1.737 1.00 0.51 C ATOM 2104 C GLU A 128 -15.158 5.875 -2.831 1.00 0.52 C ATOM 2105 O GLU A 128 -16.147 5.186 -2.571 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.647 7.563 -1.062 1.00 0.62 C ATOM 2107 CG GLU A 128 -13.832 7.952 0.160 1.00 1.04 C ATOM 2108 CD GLU A 128 -14.293 9.260 0.770 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -14.506 10.231 0.013 1.00 1.75 O ATOM 2110 OE2 GLU A 128 -14.454 9.325 2.009 1.00 2.05 O ATOM 0 H GLU A 128 -12.466 7.406 -2.205 1.00 0.46 H new ATOM 0 HA GLU A 128 -14.129 5.479 -0.997 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -14.610 8.377 -1.786 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -15.690 7.444 -0.769 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.902 7.161 0.907 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -12.781 8.035 -0.119 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.884 6.305 -4.054 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.745 5.996 -5.185 1.00 0.64 C ATOM 2119 C ARG A 129 -15.479 4.599 -5.741 1.00 0.59 C ATOM 2120 O ARG A 129 -16.421 3.879 -6.067 1.00 0.62 O ATOM 2121 CB ARG A 129 -15.571 7.039 -6.284 1.00 0.77 C ATOM 2122 CG ARG A 129 -16.357 8.315 -6.036 1.00 1.07 C ATOM 2123 CD ARG A 129 -16.822 8.943 -7.335 1.00 1.55 C ATOM 2124 NE ARG A 129 -15.700 9.329 -8.184 1.00 2.26 N ATOM 2125 CZ ARG A 129 -15.391 10.590 -8.473 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -16.087 11.587 -7.935 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -14.368 10.854 -9.277 1.00 3.98 N ATOM 0 H ARG A 129 -14.069 6.871 -4.288 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.774 6.018 -4.826 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -14.513 7.285 -6.377 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.883 6.608 -7.236 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -17.220 8.095 -5.407 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -15.737 9.025 -5.489 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -17.458 8.239 -7.872 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -17.431 9.820 -7.117 1.00 1.55 H new ATOM 0 HE ARG A 129 -15.119 8.589 -8.579 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -16.859 11.385 -7.300 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -15.849 12.554 -8.158 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -13.820 10.090 -9.672 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -14.130 11.821 -9.499 1.00 3.98 H new ATOM 2141 N SER A 130 -14.209 4.209 -5.832 1.00 0.56 N ATOM 2142 CA SER A 130 -13.855 2.891 -6.359 1.00 0.57 C ATOM 2143 C SER A 130 -14.425 1.785 -5.472 1.00 0.54 C ATOM 2144 O SER A 130 -14.823 0.724 -5.957 1.00 0.60 O ATOM 2145 CB SER A 130 -12.334 2.750 -6.489 1.00 0.58 C ATOM 2146 OG SER A 130 -11.664 3.499 -5.492 1.00 0.70 O ATOM 0 H SER A 130 -13.413 4.781 -5.550 1.00 0.56 H new ATOM 0 HA SER A 130 -14.293 2.792 -7.352 1.00 0.57 H new ATOM 0 HB2 SER A 130 -12.055 1.699 -6.407 1.00 0.58 H new ATOM 0 HB3 SER A 130 -12.018 3.088 -7.476 1.00 0.58 H new ATOM 0 HG SER A 130 -11.527 4.416 -5.809 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.485 2.049 -4.174 1.00 0.49 N ATOM 2153 CA LEU A 131 -15.022 1.087 -3.226 1.00 0.50 C ATOM 2154 C LEU A 131 -16.525 0.918 -3.433 1.00 0.52 C ATOM 2155 O LEU A 131 -17.036 -0.200 -3.458 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.743 1.538 -1.789 1.00 0.52 C ATOM 2157 CG LEU A 131 -13.598 0.806 -1.081 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.276 1.048 -1.791 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -13.509 1.245 0.373 1.00 1.33 C ATOM 0 H LEU A 131 -14.168 2.923 -3.755 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.531 0.129 -3.396 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -14.519 2.605 -1.798 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -15.652 1.408 -1.202 1.00 0.52 H new ATOM 0 HG LEU A 131 -13.807 -0.263 -1.112 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.480 0.518 -1.268 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -12.342 0.685 -2.817 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -12.057 2.116 -1.798 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -12.691 0.717 0.863 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -13.326 2.319 0.418 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -14.446 1.015 0.881 1.00 1.33 H new ATOM 2171 N ALA A 132 -17.221 2.040 -3.608 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.668 2.026 -3.799 1.00 0.62 C ATOM 2173 C ALA A 132 -19.054 1.436 -5.154 1.00 0.64 C ATOM 2174 O ALA A 132 -20.045 0.714 -5.265 1.00 0.69 O ATOM 2175 CB ALA A 132 -19.231 3.429 -3.659 1.00 0.68 C ATOM 0 H ALA A 132 -16.804 2.971 -3.621 1.00 0.56 H new ATOM 0 HA ALA A 132 -19.096 1.388 -3.026 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -20.311 3.404 -3.804 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -19.007 3.813 -2.664 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.779 4.079 -4.409 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.264 1.736 -6.178 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.527 1.236 -7.527 1.00 0.73 C ATOM 2183 C ALA A 133 -18.413 -0.283 -7.590 1.00 0.73 C ATOM 2184 O ALA A 133 -18.937 -0.920 -8.505 1.00 0.84 O ATOM 2185 CB ALA A 133 -17.572 1.875 -8.524 1.00 0.84 C ATOM 0 H ALA A 133 -17.434 2.324 -6.102 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.550 1.508 -7.789 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -17.780 1.493 -9.523 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -17.706 2.957 -8.514 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.545 1.634 -8.250 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.734 -0.859 -6.606 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.551 -2.302 -6.539 1.00 0.74 C ATOM 2193 C ALA A 134 -18.738 -2.980 -5.860 1.00 0.84 C ATOM 2194 O ALA A 134 -18.814 -4.207 -5.808 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.259 -2.634 -5.806 1.00 0.72 C ATOM 0 H ALA A 134 -17.299 -0.345 -5.840 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.488 -2.683 -7.558 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.133 -3.716 -5.762 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.416 -2.192 -6.336 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -16.302 -2.232 -4.794 1.00 0.72 H new