USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 905 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 99 TYR OH : rot 30:sc= 0.88 USER MOD Set 1.2: A 114 THR OG1 : rot 117:sc= 1.38 USER MOD Set 2.1: A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc= 0.0399 USER MOD Set 3.1: A 40 GLN : amide:sc= 0.814 K(o=1.2,f=-2.2) USER MOD Set 3.2: A 75 TYR OH : rot 84:sc= 0.433 USER MOD Set 4.1: A 37 TYR OH : rot 180:sc= -0.11 USER MOD Set 4.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 27 ASN : amide:sc= 0 K(o=-0.32,f=-0.9) USER MOD Set 5.2: A 80 GLN : amide:sc= -0.32 K(o=-0.32,f=-0.9) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 178:sc= 0.137 USER MOD Single : A 38 MET CE :methyl -140:sc= -4.23 (180deg=-12.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -4.96! C(o=-5!,f=-15!) USER MOD Single : A 55 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.58) USER MOD Single : A 57 SER OG : rot -58:sc= 0.796! USER MOD Single : A 59 SER OG : rot -160:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -161:sc= 0.208 (180deg=0.103) USER MOD Single : A 72 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.1) USER MOD Single : A 76 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.12) USER MOD Single : A 77 HIS : no HE2:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 85 TYR OH : rot -74:sc= -0.193 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000417) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 102 SER OG : rot -87:sc= 0.719 USER MOD Single : A 108 CYS SG : rot 38:sc= 0.00295 USER MOD Single : A 109 TYR OH : rot -27:sc= 0.0688 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 165:sc= -1.02 USER MOD Single : A 125 HIS : no HD1:sc= -2.31 X(o=-2.3,f=-2.3!) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 7 -7.488 6.966 5.645 1.00 34.11 N ATOM 84 CA ASP A 7 -8.208 5.945 6.397 1.00 32.33 C ATOM 85 C ASP A 7 -8.790 4.889 5.462 1.00 44.43 C ATOM 86 O ASP A 7 -9.719 4.167 5.825 1.00 61.24 O ATOM 87 CB ASP A 7 -9.326 6.583 7.224 1.00 62.30 C ATOM 88 CG ASP A 7 -10.587 6.811 6.414 1.00 2.10 C ATOM 89 OD1 ASP A 7 -10.471 7.181 5.227 1.00 61.45 O ATOM 90 OD2 ASP A 7 -11.690 6.619 6.967 1.00 4.43 O ATOM 0 HA ASP A 7 -7.501 5.459 7.069 1.00 32.33 H new ATOM 0 HB2 ASP A 7 -9.555 5.942 8.075 1.00 62.30 H new ATOM 0 HB3 ASP A 7 -8.979 7.535 7.626 1.00 62.30 H new ATOM 95 N LEU A 8 -8.238 4.806 4.256 1.00 3.43 N ATOM 96 CA LEU A 8 -8.702 3.840 3.267 1.00 21.22 C ATOM 97 C LEU A 8 -8.179 2.442 3.584 1.00 13.33 C ATOM 98 O LEU A 8 -8.696 1.445 3.079 1.00 63.05 O ATOM 99 CB LEU A 8 -8.253 4.259 1.866 1.00 32.31 C ATOM 100 CG LEU A 8 -8.345 3.184 0.782 1.00 30.25 C ATOM 101 CD1 LEU A 8 -8.713 3.805 -0.556 1.00 15.02 C ATOM 102 CD2 LEU A 8 -7.033 2.421 0.675 1.00 4.12 C ATOM 0 H LEU A 8 -7.469 5.396 3.940 1.00 3.43 H new ATOM 0 HA LEU A 8 -9.791 3.817 3.301 1.00 21.22 H new ATOM 0 HB2 LEU A 8 -8.854 5.113 1.554 1.00 32.31 H new ATOM 0 HB3 LEU A 8 -7.219 4.600 1.924 1.00 32.31 H new ATOM 0 HG LEU A 8 -9.130 2.481 1.061 1.00 30.25 H new ATOM 0 HD11 LEU A 8 -8.774 3.025 -1.315 1.00 15.02 H new ATOM 0 HD12 LEU A 8 -9.678 4.305 -0.472 1.00 15.02 H new ATOM 0 HD13 LEU A 8 -7.952 4.531 -0.842 1.00 15.02 H new ATOM 0 HD21 LEU A 8 -7.117 1.660 -0.101 1.00 4.12 H new ATOM 0 HD22 LEU A 8 -6.230 3.112 0.420 1.00 4.12 H new ATOM 0 HD23 LEU A 8 -6.811 1.943 1.629 1.00 4.12 H new ATOM 114 N LEU A 9 -7.154 2.377 4.426 1.00 4.00 N ATOM 115 CA LEU A 9 -6.562 1.101 4.813 1.00 2.14 C ATOM 116 C LEU A 9 -6.911 0.755 6.257 1.00 32.22 C ATOM 117 O LEU A 9 -7.268 1.618 7.060 1.00 63.14 O ATOM 118 CB LEU A 9 -5.043 1.148 4.641 1.00 4.04 C ATOM 119 CG LEU A 9 -4.378 2.499 4.908 1.00 54.45 C ATOM 120 CD1 LEU A 9 -4.717 2.995 6.305 1.00 60.40 C ATOM 121 CD2 LEU A 9 -2.871 2.398 4.726 1.00 21.45 C ATOM 0 H LEU A 9 -6.715 3.192 4.854 1.00 4.00 H new ATOM 0 HA LEU A 9 -6.971 0.327 4.164 1.00 2.14 H new ATOM 0 HB2 LEU A 9 -4.599 0.409 5.308 1.00 4.04 H new ATOM 0 HB3 LEU A 9 -4.803 0.843 3.622 1.00 4.04 H new ATOM 0 HG LEU A 9 -4.763 3.220 4.186 1.00 54.45 H new ATOM 0 HD11 LEU A 9 -4.235 3.957 6.476 1.00 60.40 H new ATOM 0 HD12 LEU A 9 -5.797 3.108 6.399 1.00 60.40 H new ATOM 0 HD13 LEU A 9 -4.362 2.275 7.043 1.00 60.40 H new ATOM 0 HD21 LEU A 9 -2.415 3.369 4.920 1.00 21.45 H new ATOM 0 HD22 LEU A 9 -2.469 1.662 5.423 1.00 21.45 H new ATOM 0 HD23 LEU A 9 -2.648 2.090 3.705 1.00 21.45 H new ATOM 133 N PRO A 10 -6.805 -0.538 6.598 1.00 30.03 N ATOM 134 CA PRO A 10 -7.103 -1.028 7.948 1.00 45.25 C ATOM 135 C PRO A 10 -6.068 -0.572 8.971 1.00 52.30 C ATOM 136 O PRO A 10 -4.984 -0.100 8.626 1.00 33.52 O ATOM 137 CB PRO A 10 -7.063 -2.550 7.789 1.00 0.21 C ATOM 138 CG PRO A 10 -6.171 -2.786 6.620 1.00 41.14 C ATOM 139 CD PRO A 10 -6.386 -1.621 5.693 1.00 21.21 C ATOM 0 HA PRO A 10 -8.055 -0.649 8.319 1.00 45.25 H new ATOM 0 HB2 PRO A 10 -6.675 -3.032 8.687 1.00 0.21 H new ATOM 0 HB3 PRO A 10 -8.059 -2.956 7.615 1.00 0.21 H new ATOM 0 HG2 PRO A 10 -5.128 -2.850 6.931 1.00 41.14 H new ATOM 0 HG3 PRO A 10 -6.415 -3.727 6.127 1.00 41.14 H new ATOM 0 HD2 PRO A 10 -5.475 -1.364 5.153 1.00 21.21 H new ATOM 0 HD3 PRO A 10 -7.149 -1.838 4.945 1.00 21.21 H new ATOM 147 N PRO A 11 -6.408 -0.714 10.261 1.00 61.23 N ATOM 148 CA PRO A 11 -5.521 -0.323 11.361 1.00 72.43 C ATOM 149 C PRO A 11 -4.306 -1.237 11.478 1.00 31.13 C ATOM 150 O PRO A 11 -3.301 -0.872 12.086 1.00 3.34 O ATOM 151 CB PRO A 11 -6.412 -0.456 12.598 1.00 21.25 C ATOM 152 CG PRO A 11 -7.444 -1.460 12.217 1.00 71.15 C ATOM 153 CD PRO A 11 -7.684 -1.268 10.744 1.00 24.34 C ATOM 0 HA PRO A 11 -5.111 0.677 11.220 1.00 72.43 H new ATOM 0 HB2 PRO A 11 -5.839 -0.787 13.464 1.00 21.25 H new ATOM 0 HB3 PRO A 11 -6.867 0.499 12.862 1.00 21.25 H new ATOM 0 HG2 PRO A 11 -7.100 -2.473 12.428 1.00 71.15 H new ATOM 0 HG3 PRO A 11 -8.362 -1.311 12.785 1.00 71.15 H new ATOM 0 HD2 PRO A 11 -7.926 -2.209 10.250 1.00 24.34 H new ATOM 0 HD3 PRO A 11 -8.514 -0.587 10.557 1.00 24.34 H new ATOM 161 N GLU A 12 -4.406 -2.426 10.892 1.00 33.01 N ATOM 162 CA GLU A 12 -3.314 -3.391 10.933 1.00 72.44 C ATOM 163 C GLU A 12 -2.183 -2.973 9.997 1.00 32.05 C ATOM 164 O GLU A 12 -1.006 -3.065 10.347 1.00 33.13 O ATOM 165 CB GLU A 12 -3.820 -4.783 10.548 1.00 21.42 C ATOM 166 CG GLU A 12 -4.483 -4.834 9.182 1.00 70.30 C ATOM 167 CD GLU A 12 -3.540 -5.306 8.093 1.00 65.42 C ATOM 168 OE1 GLU A 12 -2.317 -5.345 8.344 1.00 43.12 O ATOM 169 OE2 GLU A 12 -4.023 -5.637 6.990 1.00 13.22 O ATOM 0 H GLU A 12 -5.231 -2.744 10.384 1.00 33.01 H new ATOM 0 HA GLU A 12 -2.928 -3.421 11.952 1.00 72.44 H new ATOM 0 HB2 GLU A 12 -2.983 -5.481 10.562 1.00 21.42 H new ATOM 0 HB3 GLU A 12 -4.532 -5.123 11.301 1.00 21.42 H new ATOM 0 HG2 GLU A 12 -5.345 -5.500 9.225 1.00 70.30 H new ATOM 0 HG3 GLU A 12 -4.859 -3.843 8.928 1.00 70.30 H new ATOM 176 N LYS A 13 -2.549 -2.513 8.806 1.00 65.24 N ATOM 177 CA LYS A 13 -1.567 -2.079 7.819 1.00 61.45 C ATOM 178 C LYS A 13 -1.290 -0.585 7.947 1.00 24.03 C ATOM 179 O LYS A 13 -0.313 -0.076 7.399 1.00 62.04 O ATOM 180 CB LYS A 13 -2.060 -2.398 6.405 1.00 3.50 C ATOM 181 CG LYS A 13 -1.156 -1.859 5.310 1.00 5.50 C ATOM 182 CD LYS A 13 -1.710 -0.578 4.709 1.00 11.10 C ATOM 183 CE LYS A 13 -1.995 -0.737 3.223 1.00 21.14 C ATOM 184 NZ LYS A 13 -0.774 -0.520 2.398 1.00 32.44 N ATOM 0 H LYS A 13 -3.519 -2.431 8.500 1.00 65.24 H new ATOM 0 HA LYS A 13 -0.639 -2.619 8.005 1.00 61.45 H new ATOM 0 HB2 LYS A 13 -2.146 -3.479 6.294 1.00 3.50 H new ATOM 0 HB3 LYS A 13 -3.060 -1.984 6.276 1.00 3.50 H new ATOM 0 HG2 LYS A 13 -0.162 -1.671 5.717 1.00 5.50 H new ATOM 0 HG3 LYS A 13 -1.043 -2.610 4.528 1.00 5.50 H new ATOM 0 HD2 LYS A 13 -2.626 -0.298 5.228 1.00 11.10 H new ATOM 0 HD3 LYS A 13 -0.998 0.233 4.859 1.00 11.10 H new ATOM 0 HE2 LYS A 13 -2.389 -1.736 3.033 1.00 21.14 H new ATOM 0 HE3 LYS A 13 -2.767 -0.028 2.923 1.00 21.14 H new ATOM 0 HZ1 LYS A 13 -1.010 -0.637 1.392 1.00 32.44 H new ATOM 0 HZ2 LYS A 13 -0.412 0.442 2.559 1.00 32.44 H new ATOM 0 HZ3 LYS A 13 -0.046 -1.213 2.666 1.00 32.44 H new ATOM 198 N ALA A 14 -2.155 0.112 8.677 1.00 64.01 N ATOM 199 CA ALA A 14 -2.000 1.547 8.880 1.00 12.04 C ATOM 200 C ALA A 14 -0.791 1.850 9.759 1.00 13.00 C ATOM 201 O ALA A 14 -0.243 2.952 9.720 1.00 71.34 O ATOM 202 CB ALA A 14 -3.263 2.132 9.496 1.00 23.55 C ATOM 0 H ALA A 14 -2.970 -0.294 9.137 1.00 64.01 H new ATOM 0 HA ALA A 14 -1.834 2.011 7.908 1.00 12.04 H new ATOM 0 HB1 ALA A 14 -3.133 3.204 9.642 1.00 23.55 H new ATOM 0 HB2 ALA A 14 -4.108 1.956 8.830 1.00 23.55 H new ATOM 0 HB3 ALA A 14 -3.453 1.655 10.457 1.00 23.55 H new ATOM 208 N PHE A 15 -0.381 0.866 10.552 1.00 23.01 N ATOM 209 CA PHE A 15 0.763 1.028 11.442 1.00 11.33 C ATOM 210 C PHE A 15 1.848 0.004 11.125 1.00 25.25 C ATOM 211 O PHE A 15 1.571 -1.187 10.979 1.00 11.33 O ATOM 212 CB PHE A 15 0.324 0.888 12.901 1.00 2.55 C ATOM 213 CG PHE A 15 -0.927 1.653 13.227 1.00 3.42 C ATOM 214 CD1 PHE A 15 -1.029 3.002 12.924 1.00 21.50 C ATOM 215 CD2 PHE A 15 -2.001 1.024 13.836 1.00 5.21 C ATOM 216 CE1 PHE A 15 -2.179 3.708 13.224 1.00 64.35 C ATOM 217 CE2 PHE A 15 -3.153 1.725 14.138 1.00 51.25 C ATOM 218 CZ PHE A 15 -3.242 3.069 13.830 1.00 74.42 C ATOM 0 H PHE A 15 -0.824 -0.052 10.597 1.00 23.01 H new ATOM 0 HA PHE A 15 1.174 2.026 11.287 1.00 11.33 H new ATOM 0 HB2 PHE A 15 0.164 -0.167 13.124 1.00 2.55 H new ATOM 0 HB3 PHE A 15 1.130 1.232 13.549 1.00 2.55 H new ATOM 0 HD1 PHE A 15 -0.201 3.507 12.448 1.00 21.50 H new ATOM 0 HD2 PHE A 15 -1.937 -0.027 14.078 1.00 5.21 H new ATOM 0 HE1 PHE A 15 -2.246 4.759 12.984 1.00 64.35 H new ATOM 0 HE2 PHE A 15 -3.982 1.223 14.614 1.00 51.25 H new ATOM 0 HZ PHE A 15 -4.142 3.619 14.063 1.00 74.42 H new ATOM 228 N VAL A 16 3.087 0.476 11.020 1.00 33.21 N ATOM 229 CA VAL A 16 4.215 -0.398 10.721 1.00 0.11 C ATOM 230 C VAL A 16 5.247 -0.365 11.842 1.00 25.23 C ATOM 231 O VAL A 16 6.253 0.342 11.773 1.00 21.24 O ATOM 232 CB VAL A 16 4.897 -0.001 9.398 1.00 30.03 C ATOM 233 CG1 VAL A 16 5.929 -1.043 8.996 1.00 63.20 C ATOM 234 CG2 VAL A 16 3.861 0.187 8.300 1.00 32.55 C ATOM 0 H VAL A 16 3.334 1.459 11.138 1.00 33.21 H new ATOM 0 HA VAL A 16 3.817 -1.408 10.627 1.00 0.11 H new ATOM 0 HB VAL A 16 5.413 0.948 9.545 1.00 30.03 H new ATOM 0 HG11 VAL A 16 6.400 -0.746 8.059 1.00 63.20 H new ATOM 0 HG12 VAL A 16 6.688 -1.123 9.775 1.00 63.20 H new ATOM 0 HG13 VAL A 16 5.440 -2.008 8.866 1.00 63.20 H new ATOM 0 HG21 VAL A 16 4.360 0.467 7.373 1.00 32.55 H new ATOM 0 HG22 VAL A 16 3.315 -0.745 8.151 1.00 32.55 H new ATOM 0 HG23 VAL A 16 3.164 0.974 8.588 1.00 32.55 H new ATOM 244 N PRO A 17 4.996 -1.149 12.901 1.00 12.24 N ATOM 245 CA PRO A 17 5.893 -1.228 14.058 1.00 34.32 C ATOM 246 C PRO A 17 7.205 -1.930 13.727 1.00 21.41 C ATOM 247 O PRO A 17 7.215 -2.965 13.061 1.00 54.10 O ATOM 248 CB PRO A 17 5.090 -2.046 15.074 1.00 42.24 C ATOM 249 CG PRO A 17 4.155 -2.861 14.249 1.00 20.20 C ATOM 250 CD PRO A 17 3.817 -2.018 13.051 1.00 54.01 C ATOM 0 HA PRO A 17 6.182 -0.241 14.418 1.00 34.32 H new ATOM 0 HB2 PRO A 17 5.742 -2.679 15.676 1.00 42.24 H new ATOM 0 HB3 PRO A 17 4.548 -1.399 15.764 1.00 42.24 H new ATOM 0 HG2 PRO A 17 4.619 -3.800 13.947 1.00 20.20 H new ATOM 0 HG3 PRO A 17 3.258 -3.115 14.813 1.00 20.20 H new ATOM 0 HD2 PRO A 17 3.653 -2.629 12.163 1.00 54.01 H new ATOM 0 HD3 PRO A 17 2.908 -1.438 13.211 1.00 54.01 H new ATOM 258 N GLU A 18 8.311 -1.361 14.197 1.00 13.10 N ATOM 259 CA GLU A 18 9.629 -1.934 13.949 1.00 14.44 C ATOM 260 C GLU A 18 10.478 -1.913 15.217 1.00 13.12 C ATOM 261 O GLU A 18 10.627 -0.874 15.861 1.00 1.52 O ATOM 262 CB GLU A 18 10.341 -1.167 12.833 1.00 73.11 C ATOM 263 CG GLU A 18 10.953 -2.066 11.772 1.00 73.11 C ATOM 264 CD GLU A 18 11.818 -1.302 10.788 1.00 21.45 C ATOM 265 OE1 GLU A 18 12.355 -0.241 11.171 1.00 74.41 O ATOM 266 OE2 GLU A 18 11.959 -1.765 9.637 1.00 13.12 O ATOM 0 H GLU A 18 8.320 -0.505 14.751 1.00 13.10 H new ATOM 0 HA GLU A 18 9.494 -2.970 13.639 1.00 14.44 H new ATOM 0 HB2 GLU A 18 9.631 -0.490 12.358 1.00 73.11 H new ATOM 0 HB3 GLU A 18 11.125 -0.550 13.271 1.00 73.11 H new ATOM 0 HG2 GLU A 18 11.553 -2.836 12.256 1.00 73.11 H new ATOM 0 HG3 GLU A 18 10.157 -2.576 11.230 1.00 73.11 H new ATOM 273 N LEU A 19 11.031 -3.068 15.570 1.00 4.31 N ATOM 274 CA LEU A 19 11.866 -3.184 16.761 1.00 14.22 C ATOM 275 C LEU A 19 13.344 -3.237 16.388 1.00 74.31 C ATOM 276 O LEU A 19 13.710 -3.764 15.338 1.00 70.12 O ATOM 277 CB LEU A 19 11.483 -4.434 17.556 1.00 40.31 C ATOM 278 CG LEU A 19 11.450 -4.278 19.077 1.00 71.13 C ATOM 279 CD1 LEU A 19 12.852 -4.050 19.621 1.00 54.55 C ATOM 280 CD2 LEU A 19 10.528 -3.135 19.476 1.00 70.12 C ATOM 0 H LEU A 19 10.917 -3.937 15.049 1.00 4.31 H new ATOM 0 HA LEU A 19 11.699 -2.302 17.379 1.00 14.22 H new ATOM 0 HB2 LEU A 19 10.499 -4.765 17.223 1.00 40.31 H new ATOM 0 HB3 LEU A 19 12.187 -5.228 17.307 1.00 40.31 H new ATOM 0 HG LEU A 19 11.061 -5.200 19.509 1.00 71.13 H new ATOM 0 HD11 LEU A 19 12.809 -3.941 20.705 1.00 54.55 H new ATOM 0 HD12 LEU A 19 13.484 -4.901 19.367 1.00 54.55 H new ATOM 0 HD13 LEU A 19 13.270 -3.144 19.182 1.00 54.55 H new ATOM 0 HD21 LEU A 19 10.517 -3.039 20.562 1.00 70.12 H new ATOM 0 HD22 LEU A 19 10.887 -2.206 19.033 1.00 70.12 H new ATOM 0 HD23 LEU A 19 9.519 -3.340 19.120 1.00 70.12 H new ATOM 292 N ALA A 20 14.188 -2.690 17.256 1.00 20.21 N ATOM 293 CA ALA A 20 15.626 -2.679 17.020 1.00 63.44 C ATOM 294 C ALA A 20 16.399 -2.686 18.334 1.00 12.14 C ATOM 295 O ALA A 20 16.478 -1.670 19.025 1.00 50.43 O ATOM 296 CB ALA A 20 16.015 -1.469 16.183 1.00 34.31 C ATOM 0 H ALA A 20 13.901 -2.248 18.129 1.00 20.21 H new ATOM 0 HA ALA A 20 15.885 -3.585 16.472 1.00 63.44 H new ATOM 0 HB1 ALA A 20 17.092 -1.474 16.015 1.00 34.31 H new ATOM 0 HB2 ALA A 20 15.498 -1.508 15.224 1.00 34.31 H new ATOM 0 HB3 ALA A 20 15.734 -0.557 16.710 1.00 34.31 H new ATOM 302 N VAL A 21 16.967 -3.838 18.676 1.00 70.11 N ATOM 303 CA VAL A 21 17.734 -3.977 19.908 1.00 11.32 C ATOM 304 C VAL A 21 19.096 -3.303 19.786 1.00 10.35 C ATOM 305 O VAL A 21 19.769 -3.421 18.763 1.00 1.01 O ATOM 306 CB VAL A 21 17.938 -5.458 20.279 1.00 15.30 C ATOM 307 CG1 VAL A 21 18.906 -5.588 21.445 1.00 61.14 C ATOM 308 CG2 VAL A 21 16.604 -6.112 20.607 1.00 22.43 C ATOM 0 H VAL A 21 16.910 -4.689 18.117 1.00 70.11 H new ATOM 0 HA VAL A 21 17.159 -3.489 20.695 1.00 11.32 H new ATOM 0 HB VAL A 21 18.369 -5.974 19.421 1.00 15.30 H new ATOM 0 HG11 VAL A 21 19.038 -6.641 21.693 1.00 61.14 H new ATOM 0 HG12 VAL A 21 19.868 -5.157 21.169 1.00 61.14 H new ATOM 0 HG13 VAL A 21 18.507 -5.059 22.310 1.00 61.14 H new ATOM 0 HG21 VAL A 21 16.766 -7.158 20.867 1.00 22.43 H new ATOM 0 HG22 VAL A 21 16.143 -5.596 21.449 1.00 22.43 H new ATOM 0 HG23 VAL A 21 15.946 -6.051 19.740 1.00 22.43 H new ATOM 318 N ALA A 22 19.496 -2.596 20.838 1.00 2.42 N ATOM 319 CA ALA A 22 20.780 -1.905 20.850 1.00 15.54 C ATOM 320 C ALA A 22 21.665 -2.410 21.985 1.00 74.34 C ATOM 321 O ALA A 22 21.290 -3.328 22.715 1.00 10.32 O ATOM 322 CB ALA A 22 20.569 -0.403 20.972 1.00 10.42 C ATOM 0 H ALA A 22 18.950 -2.487 21.693 1.00 2.42 H new ATOM 0 HA ALA A 22 21.287 -2.115 19.908 1.00 15.54 H new ATOM 0 HB1 ALA A 22 21.536 0.101 20.980 1.00 10.42 H new ATOM 0 HB2 ALA A 22 19.982 -0.048 20.125 1.00 10.42 H new ATOM 0 HB3 ALA A 22 20.038 -0.184 21.899 1.00 10.42 H new ATOM 328 N ASP A 23 22.840 -1.807 22.126 1.00 73.15 N ATOM 329 CA ASP A 23 23.778 -2.196 23.172 1.00 63.44 C ATOM 330 C ASP A 23 23.531 -1.399 24.448 1.00 13.22 C ATOM 331 O ASP A 23 23.920 -1.817 25.539 1.00 75.43 O ATOM 332 CB ASP A 23 25.218 -1.990 22.697 1.00 13.25 C ATOM 333 CG ASP A 23 26.185 -2.961 23.345 1.00 64.05 C ATOM 334 OD1 ASP A 23 26.303 -4.100 22.848 1.00 71.54 O ATOM 335 OD2 ASP A 23 26.825 -2.582 24.348 1.00 13.04 O ATOM 0 H ASP A 23 23.166 -1.047 21.529 1.00 73.15 H new ATOM 0 HA ASP A 23 23.623 -3.253 23.390 1.00 63.44 H new ATOM 0 HB2 ASP A 23 25.261 -2.107 21.614 1.00 13.25 H new ATOM 0 HB3 ASP A 23 25.529 -0.969 22.920 1.00 13.25 H new ATOM 340 N ASP A 24 22.883 -0.248 24.304 1.00 32.13 N ATOM 341 CA ASP A 24 22.583 0.609 25.446 1.00 62.43 C ATOM 342 C ASP A 24 21.078 0.709 25.670 1.00 74.33 C ATOM 343 O ASP A 24 20.603 1.595 26.379 1.00 73.22 O ATOM 344 CB ASP A 24 23.173 2.003 25.233 1.00 44.45 C ATOM 345 CG ASP A 24 22.801 2.590 23.885 1.00 62.21 C ATOM 346 OD1 ASP A 24 21.658 2.365 23.435 1.00 61.32 O ATOM 347 OD2 ASP A 24 23.653 3.275 23.281 1.00 72.42 O ATOM 0 H ASP A 24 22.555 0.113 23.408 1.00 32.13 H new ATOM 0 HA ASP A 24 23.035 0.163 26.332 1.00 62.43 H new ATOM 0 HB2 ASP A 24 22.824 2.667 26.024 1.00 44.45 H new ATOM 0 HB3 ASP A 24 24.259 1.951 25.316 1.00 44.45 H new ATOM 352 N GLY A 25 20.331 -0.206 25.058 1.00 21.45 N ATOM 353 CA GLY A 25 18.887 -0.203 25.203 1.00 41.34 C ATOM 354 C GLY A 25 18.182 -0.772 23.988 1.00 53.24 C ATOM 355 O GLY A 25 18.741 -1.598 23.266 1.00 1.31 O ATOM 0 H GLY A 25 20.700 -0.949 24.465 1.00 21.45 H new ATOM 0 HA2 GLY A 25 18.612 -0.783 26.084 1.00 41.34 H new ATOM 0 HA3 GLY A 25 18.544 0.817 25.374 1.00 41.34 H new ATOM 359 N VAL A 26 16.948 -0.331 23.761 1.00 44.03 N ATOM 360 CA VAL A 26 16.165 -0.802 22.625 1.00 70.11 C ATOM 361 C VAL A 26 15.437 0.351 21.943 1.00 44.01 C ATOM 362 O VAL A 26 14.933 1.258 22.604 1.00 22.30 O ATOM 363 CB VAL A 26 15.134 -1.862 23.055 1.00 31.34 C ATOM 364 CG1 VAL A 26 14.367 -2.383 21.849 1.00 43.40 C ATOM 365 CG2 VAL A 26 15.819 -3.002 23.794 1.00 30.01 C ATOM 0 H VAL A 26 16.470 0.352 24.349 1.00 44.03 H new ATOM 0 HA VAL A 26 16.866 -1.252 21.922 1.00 70.11 H new ATOM 0 HB VAL A 26 14.421 -1.395 23.734 1.00 31.34 H new ATOM 0 HG11 VAL A 26 13.643 -3.131 22.173 1.00 43.40 H new ATOM 0 HG12 VAL A 26 13.844 -1.558 21.366 1.00 43.40 H new ATOM 0 HG13 VAL A 26 15.063 -2.834 21.142 1.00 43.40 H new ATOM 0 HG21 VAL A 26 15.076 -3.742 24.091 1.00 30.01 H new ATOM 0 HG22 VAL A 26 16.555 -3.469 23.140 1.00 30.01 H new ATOM 0 HG23 VAL A 26 16.318 -2.613 24.682 1.00 30.01 H new ATOM 375 N ASN A 27 15.387 0.309 20.615 1.00 12.15 N ATOM 376 CA ASN A 27 14.721 1.351 19.843 1.00 55.23 C ATOM 377 C ASN A 27 13.560 0.774 19.038 1.00 33.04 C ATOM 378 O ASN A 27 13.712 -0.229 18.341 1.00 55.01 O ATOM 379 CB ASN A 27 15.717 2.034 18.903 1.00 14.24 C ATOM 380 CG ASN A 27 16.625 3.006 19.632 1.00 63.43 C ATOM 381 OD1 ASN A 27 16.367 4.209 19.664 1.00 23.12 O ATOM 382 ND2 ASN A 27 17.696 2.486 20.220 1.00 23.13 N ATOM 0 H ASN A 27 15.799 -0.435 20.052 1.00 12.15 H new ATOM 0 HA ASN A 27 14.325 2.089 20.541 1.00 55.23 H new ATOM 0 HB2 ASN A 27 16.324 1.276 18.407 1.00 14.24 H new ATOM 0 HB3 ASN A 27 15.171 2.565 18.123 1.00 14.24 H new ATOM 0 HD21 ASN A 27 18.345 3.090 20.724 1.00 23.13 H new ATOM 0 HD22 ASN A 27 17.870 1.482 20.167 1.00 23.13 H new ATOM 389 N VAL A 28 12.400 1.415 19.140 1.00 34.05 N ATOM 390 CA VAL A 28 11.213 0.967 18.422 1.00 72.03 C ATOM 391 C VAL A 28 10.567 2.117 17.656 1.00 22.44 C ATOM 392 O VAL A 28 10.289 3.174 18.223 1.00 75.43 O ATOM 393 CB VAL A 28 10.174 0.355 19.380 1.00 12.21 C ATOM 394 CG1 VAL A 28 9.699 1.393 20.386 1.00 75.24 C ATOM 395 CG2 VAL A 28 9.001 -0.218 18.599 1.00 63.15 C ATOM 0 H VAL A 28 12.257 2.247 19.713 1.00 34.05 H new ATOM 0 HA VAL A 28 11.540 0.203 17.717 1.00 72.03 H new ATOM 0 HB VAL A 28 10.647 -0.459 19.929 1.00 12.21 H new ATOM 0 HG11 VAL A 28 8.965 0.943 21.055 1.00 75.24 H new ATOM 0 HG12 VAL A 28 10.548 1.751 20.968 1.00 75.24 H new ATOM 0 HG13 VAL A 28 9.243 2.230 19.857 1.00 75.24 H new ATOM 0 HG21 VAL A 28 8.277 -0.646 19.292 1.00 63.15 H new ATOM 0 HG22 VAL A 28 8.526 0.575 18.022 1.00 63.15 H new ATOM 0 HG23 VAL A 28 9.359 -0.994 17.923 1.00 63.15 H new ATOM 405 N ARG A 29 10.332 1.903 16.366 1.00 35.31 N ATOM 406 CA ARG A 29 9.719 2.921 15.522 1.00 12.52 C ATOM 407 C ARG A 29 8.530 2.349 14.755 1.00 44.21 C ATOM 408 O ARG A 29 8.652 1.335 14.067 1.00 2.40 O ATOM 409 CB ARG A 29 10.747 3.488 14.542 1.00 43.32 C ATOM 410 CG ARG A 29 10.201 4.599 13.660 1.00 74.22 C ATOM 411 CD ARG A 29 9.574 4.044 12.390 1.00 15.23 C ATOM 412 NE ARG A 29 9.809 4.912 11.239 1.00 22.33 N ATOM 413 CZ ARG A 29 10.963 4.964 10.582 1.00 35.23 C ATOM 414 NH1 ARG A 29 11.980 4.202 10.960 1.00 13.14 N ATOM 415 NH2 ARG A 29 11.100 5.779 9.544 1.00 31.22 N ATOM 0 H ARG A 29 10.557 1.034 15.882 1.00 35.31 H new ATOM 0 HA ARG A 29 9.361 3.724 16.167 1.00 12.52 H new ATOM 0 HB2 ARG A 29 11.600 3.868 15.104 1.00 43.32 H new ATOM 0 HB3 ARG A 29 11.116 2.681 13.909 1.00 43.32 H new ATOM 0 HG2 ARG A 29 9.458 5.173 14.214 1.00 74.22 H new ATOM 0 HG3 ARG A 29 11.005 5.287 13.400 1.00 74.22 H new ATOM 0 HD2 ARG A 29 9.982 3.054 12.187 1.00 15.23 H new ATOM 0 HD3 ARG A 29 8.501 3.922 12.539 1.00 15.23 H new ATOM 0 HE ARG A 29 9.046 5.511 10.922 1.00 22.33 H new ATOM 0 HH11 ARG A 29 11.878 3.574 11.757 1.00 13.14 H new ATOM 0 HH12 ARG A 29 12.865 4.244 10.454 1.00 13.14 H new ATOM 0 HH21 ARG A 29 10.319 6.366 9.250 1.00 31.22 H new ATOM 0 HH22 ARG A 29 11.986 5.819 9.040 1.00 31.22 H new ATOM 429 N PHE A 30 7.382 3.006 14.878 1.00 35.44 N ATOM 430 CA PHE A 30 6.171 2.562 14.198 1.00 35.40 C ATOM 431 C PHE A 30 5.672 3.626 13.225 1.00 14.35 C ATOM 432 O PHE A 30 5.389 4.758 13.619 1.00 44.21 O ATOM 433 CB PHE A 30 5.078 2.234 15.218 1.00 51.30 C ATOM 434 CG PHE A 30 5.371 2.752 16.597 1.00 13.41 C ATOM 435 CD1 PHE A 30 6.190 2.041 17.459 1.00 11.42 C ATOM 436 CD2 PHE A 30 4.826 3.950 17.032 1.00 42.25 C ATOM 437 CE1 PHE A 30 6.462 2.515 18.729 1.00 54.52 C ATOM 438 CE2 PHE A 30 5.095 4.429 18.300 1.00 53.42 C ATOM 439 CZ PHE A 30 5.912 3.711 19.150 1.00 64.41 C ATOM 0 H PHE A 30 7.265 3.848 15.442 1.00 35.44 H new ATOM 0 HA PHE A 30 6.412 1.662 13.632 1.00 35.40 H new ATOM 0 HB2 PHE A 30 4.133 2.654 14.874 1.00 51.30 H new ATOM 0 HB3 PHE A 30 4.948 1.153 15.265 1.00 51.30 H new ATOM 0 HD1 PHE A 30 6.621 1.105 17.135 1.00 11.42 H new ATOM 0 HD2 PHE A 30 4.184 4.515 16.373 1.00 42.25 H new ATOM 0 HE1 PHE A 30 7.103 1.952 19.391 1.00 54.52 H new ATOM 0 HE2 PHE A 30 4.666 5.365 18.626 1.00 53.42 H new ATOM 0 HZ PHE A 30 6.121 4.083 20.142 1.00 64.41 H new ATOM 449 N ARG A 31 5.566 3.255 11.954 1.00 63.32 N ATOM 450 CA ARG A 31 5.104 4.177 10.924 1.00 13.41 C ATOM 451 C ARG A 31 3.580 4.179 10.840 1.00 21.40 C ATOM 452 O ARG A 31 2.967 3.170 10.490 1.00 63.51 O ATOM 453 CB ARG A 31 5.700 3.801 9.567 1.00 73.54 C ATOM 454 CG ARG A 31 7.189 3.501 9.617 1.00 0.03 C ATOM 455 CD ARG A 31 7.913 4.071 8.408 1.00 63.45 C ATOM 456 NE ARG A 31 7.583 3.349 7.182 1.00 73.23 N ATOM 457 CZ ARG A 31 7.828 3.818 5.964 1.00 44.05 C ATOM 458 NH1 ARG A 31 8.404 5.002 5.809 1.00 4.34 N ATOM 459 NH2 ARG A 31 7.498 3.102 4.896 1.00 23.13 N ATOM 0 H ARG A 31 5.794 2.321 11.612 1.00 63.32 H new ATOM 0 HA ARG A 31 5.437 5.179 11.193 1.00 13.41 H new ATOM 0 HB2 ARG A 31 5.175 2.928 9.179 1.00 73.54 H new ATOM 0 HB3 ARG A 31 5.526 4.616 8.865 1.00 73.54 H new ATOM 0 HG2 ARG A 31 7.615 3.920 10.529 1.00 0.03 H new ATOM 0 HG3 ARG A 31 7.343 2.423 9.660 1.00 0.03 H new ATOM 0 HD2 ARG A 31 7.651 5.123 8.291 1.00 63.45 H new ATOM 0 HD3 ARG A 31 8.989 4.027 8.576 1.00 63.45 H new ATOM 0 HE ARG A 31 7.140 2.434 7.266 1.00 73.23 H new ATOM 0 HH11 ARG A 31 8.660 5.555 6.627 1.00 4.34 H new ATOM 0 HH12 ARG A 31 8.591 5.359 4.872 1.00 4.34 H new ATOM 0 HH21 ARG A 31 7.056 2.190 5.010 1.00 23.13 H new ATOM 0 HH22 ARG A 31 7.687 3.464 3.961 1.00 23.13 H new ATOM 473 N ILE A 32 2.976 5.317 11.164 1.00 72.23 N ATOM 474 CA ILE A 32 1.525 5.449 11.124 1.00 32.12 C ATOM 475 C ILE A 32 1.067 6.093 9.820 1.00 73.52 C ATOM 476 O ILE A 32 1.746 6.960 9.272 1.00 62.12 O ATOM 477 CB ILE A 32 1.003 6.286 12.307 1.00 21.53 C ATOM 478 CG1 ILE A 32 1.337 5.598 13.633 1.00 71.02 C ATOM 479 CG2 ILE A 32 -0.497 6.504 12.181 1.00 51.02 C ATOM 480 CD1 ILE A 32 1.961 6.524 14.653 1.00 22.33 C ATOM 0 H ILE A 32 3.469 6.161 11.457 1.00 72.23 H new ATOM 0 HA ILE A 32 1.115 4.441 11.193 1.00 32.12 H new ATOM 0 HB ILE A 32 1.494 7.259 12.289 1.00 21.53 H new ATOM 0 HG12 ILE A 32 0.425 5.171 14.051 1.00 71.02 H new ATOM 0 HG13 ILE A 32 2.019 4.769 13.442 1.00 71.02 H new ATOM 0 HG21 ILE A 32 -0.851 7.097 13.024 1.00 51.02 H new ATOM 0 HG22 ILE A 32 -0.711 7.031 11.251 1.00 51.02 H new ATOM 0 HG23 ILE A 32 -1.006 5.540 12.177 1.00 51.02 H new ATOM 0 HD11 ILE A 32 2.171 5.969 15.567 1.00 22.33 H new ATOM 0 HD12 ILE A 32 2.890 6.931 14.254 1.00 22.33 H new ATOM 0 HD13 ILE A 32 1.272 7.340 14.873 1.00 22.33 H new ATOM 492 N ALA A 33 -0.091 5.663 9.329 1.00 71.30 N ATOM 493 CA ALA A 33 -0.642 6.200 8.091 1.00 35.31 C ATOM 494 C ALA A 33 -0.978 7.680 8.236 1.00 5.21 C ATOM 495 O ALA A 33 -1.339 8.142 9.319 1.00 62.51 O ATOM 496 CB ALA A 33 -1.879 5.415 7.680 1.00 72.51 C ATOM 0 H ALA A 33 -0.665 4.944 9.770 1.00 71.30 H new ATOM 0 HA ALA A 33 0.114 6.100 7.313 1.00 35.31 H new ATOM 0 HB1 ALA A 33 -2.280 5.827 6.754 1.00 72.51 H new ATOM 0 HB2 ALA A 33 -1.612 4.369 7.527 1.00 72.51 H new ATOM 0 HB3 ALA A 33 -2.632 5.486 8.465 1.00 72.51 H new ATOM 502 N ASP A 34 -0.855 8.420 7.140 1.00 63.15 N ATOM 503 CA ASP A 34 -1.145 9.849 7.145 1.00 60.03 C ATOM 504 C ASP A 34 -2.595 10.108 7.543 1.00 24.43 C ATOM 505 O ASP A 34 -2.952 11.217 7.938 1.00 31.41 O ATOM 506 CB ASP A 34 -0.866 10.453 5.767 1.00 33.33 C ATOM 507 CG ASP A 34 -0.231 11.826 5.855 1.00 4.20 C ATOM 508 OD1 ASP A 34 -0.844 12.726 6.466 1.00 1.35 O ATOM 509 OD2 ASP A 34 0.881 12.001 5.313 1.00 34.10 O ATOM 0 H ASP A 34 -0.556 8.054 6.236 1.00 63.15 H new ATOM 0 HA ASP A 34 -0.495 10.324 7.880 1.00 60.03 H new ATOM 0 HB2 ASP A 34 -0.209 9.787 5.208 1.00 33.33 H new ATOM 0 HB3 ASP A 34 -1.799 10.523 5.208 1.00 33.33 H new ATOM 514 N GLY A 35 -3.426 9.075 7.436 1.00 40.41 N ATOM 515 CA GLY A 35 -4.827 9.212 7.787 1.00 33.15 C ATOM 516 C GLY A 35 -5.103 8.833 9.229 1.00 1.21 C ATOM 517 O GLY A 35 -6.253 8.833 9.669 1.00 22.03 O ATOM 0 H GLY A 35 -3.154 8.147 7.113 1.00 40.41 H new ATOM 0 HA2 GLY A 35 -5.142 10.242 7.619 1.00 33.15 H new ATOM 0 HA3 GLY A 35 -5.427 8.584 7.128 1.00 33.15 H new ATOM 521 N TYR A 36 -4.046 8.508 9.966 1.00 55.31 N ATOM 522 CA TYR A 36 -4.180 8.122 11.365 1.00 34.44 C ATOM 523 C TYR A 36 -3.192 8.888 12.239 1.00 15.14 C ATOM 524 O TYR A 36 -2.213 9.447 11.745 1.00 22.04 O ATOM 525 CB TYR A 36 -3.958 6.617 11.524 1.00 63.41 C ATOM 526 CG TYR A 36 -5.089 5.776 10.976 1.00 1.11 C ATOM 527 CD1 TYR A 36 -6.381 5.909 11.468 1.00 13.41 C ATOM 528 CD2 TYR A 36 -4.865 4.849 9.966 1.00 71.04 C ATOM 529 CE1 TYR A 36 -7.417 5.143 10.971 1.00 35.10 C ATOM 530 CE2 TYR A 36 -5.896 4.079 9.461 1.00 5.24 C ATOM 531 CZ TYR A 36 -7.170 4.229 9.968 1.00 43.53 C ATOM 532 OH TYR A 36 -8.199 3.465 9.469 1.00 55.12 O ATOM 0 H TYR A 36 -3.087 8.504 9.617 1.00 55.31 H new ATOM 0 HA TYR A 36 -5.191 8.370 11.688 1.00 34.44 H new ATOM 0 HB2 TYR A 36 -3.033 6.340 11.019 1.00 63.41 H new ATOM 0 HB3 TYR A 36 -3.825 6.388 12.581 1.00 63.41 H new ATOM 0 HD1 TYR A 36 -6.579 6.624 12.253 1.00 13.41 H new ATOM 0 HD2 TYR A 36 -3.868 4.728 9.568 1.00 71.04 H new ATOM 0 HE1 TYR A 36 -8.416 5.259 11.366 1.00 35.10 H new ATOM 0 HE2 TYR A 36 -5.705 3.364 8.674 1.00 5.24 H new ATOM 0 HH TYR A 36 -7.863 2.896 8.746 1.00 55.12 H new ATOM 542 N TYR A 37 -3.457 8.909 13.541 1.00 51.21 N ATOM 543 CA TYR A 37 -2.594 9.608 14.485 1.00 5.12 C ATOM 544 C TYR A 37 -2.721 9.012 15.884 1.00 43.12 C ATOM 545 O TYR A 37 -3.824 8.744 16.358 1.00 12.54 O ATOM 546 CB TYR A 37 -2.940 11.097 14.520 1.00 54.41 C ATOM 547 CG TYR A 37 -4.350 11.380 14.987 1.00 13.05 C ATOM 548 CD1 TYR A 37 -4.639 11.524 16.339 1.00 31.51 C ATOM 549 CD2 TYR A 37 -5.394 11.503 14.078 1.00 24.42 C ATOM 550 CE1 TYR A 37 -5.926 11.781 16.771 1.00 2.12 C ATOM 551 CE2 TYR A 37 -6.683 11.761 14.501 1.00 1.51 C ATOM 552 CZ TYR A 37 -6.944 11.900 15.848 1.00 31.34 C ATOM 553 OH TYR A 37 -8.227 12.156 16.274 1.00 54.23 O ATOM 0 H TYR A 37 -4.263 8.450 13.966 1.00 51.21 H new ATOM 0 HA TYR A 37 -1.563 9.489 14.151 1.00 5.12 H new ATOM 0 HB2 TYR A 37 -2.238 11.609 15.179 1.00 54.41 H new ATOM 0 HB3 TYR A 37 -2.805 11.516 13.523 1.00 54.41 H new ATOM 0 HD1 TYR A 37 -3.844 11.433 17.064 1.00 31.51 H new ATOM 0 HD2 TYR A 37 -5.194 11.395 13.022 1.00 24.42 H new ATOM 0 HE1 TYR A 37 -6.134 11.888 17.825 1.00 2.12 H new ATOM 0 HE2 TYR A 37 -7.482 11.853 13.781 1.00 1.51 H new ATOM 0 HH TYR A 37 -8.824 12.211 15.499 1.00 54.23 H new ATOM 563 N MET A 38 -1.582 8.808 16.538 1.00 34.45 N ATOM 564 CA MET A 38 -1.565 8.245 17.884 1.00 54.02 C ATOM 565 C MET A 38 -1.057 9.268 18.894 1.00 4.15 C ATOM 566 O MET A 38 -0.117 10.014 18.618 1.00 62.23 O ATOM 567 CB MET A 38 -0.689 6.991 17.924 1.00 14.45 C ATOM 568 CG MET A 38 -1.483 5.695 17.924 1.00 51.15 C ATOM 569 SD MET A 38 -1.369 4.812 16.356 1.00 62.22 S ATOM 570 CE MET A 38 -2.101 3.238 16.799 1.00 2.45 C ATOM 0 H MET A 38 -0.660 9.024 16.159 1.00 34.45 H new ATOM 0 HA MET A 38 -2.586 7.974 18.151 1.00 54.02 H new ATOM 0 HB2 MET A 38 -0.020 6.998 17.064 1.00 14.45 H new ATOM 0 HB3 MET A 38 -0.062 7.024 18.815 1.00 14.45 H new ATOM 0 HG2 MET A 38 -1.121 5.052 18.726 1.00 51.15 H new ATOM 0 HG3 MET A 38 -2.529 5.914 18.138 1.00 51.15 H new ATOM 0 HE1 MET A 38 -1.542 2.431 16.326 1.00 2.45 H new ATOM 0 HE2 MET A 38 -2.071 3.115 17.882 1.00 2.45 H new ATOM 0 HE3 MET A 38 -3.136 3.210 16.459 1.00 2.45 H new ATOM 580 N TYR A 39 -1.683 9.298 20.065 1.00 10.14 N ATOM 581 CA TYR A 39 -1.295 10.232 21.116 1.00 31.30 C ATOM 582 C TYR A 39 -0.067 9.727 21.867 1.00 44.11 C ATOM 583 O TYR A 39 0.003 8.560 22.251 1.00 72.14 O ATOM 584 CB TYR A 39 -2.453 10.442 22.093 1.00 1.41 C ATOM 585 CG TYR A 39 -3.800 10.569 21.418 1.00 62.42 C ATOM 586 CD1 TYR A 39 -4.256 11.798 20.958 1.00 3.22 C ATOM 587 CD2 TYR A 39 -4.617 9.459 21.240 1.00 1.12 C ATOM 588 CE1 TYR A 39 -5.486 11.919 20.341 1.00 21.42 C ATOM 589 CE2 TYR A 39 -5.848 9.570 20.623 1.00 62.10 C ATOM 590 CZ TYR A 39 -6.278 10.802 20.175 1.00 21.45 C ATOM 591 OH TYR A 39 -7.504 10.916 19.561 1.00 11.45 O ATOM 0 H TYR A 39 -2.461 8.686 20.311 1.00 10.14 H new ATOM 0 HA TYR A 39 -1.046 11.184 20.647 1.00 31.30 H new ATOM 0 HB2 TYR A 39 -2.484 9.606 22.792 1.00 1.41 H new ATOM 0 HB3 TYR A 39 -2.264 11.341 22.680 1.00 1.41 H new ATOM 0 HD1 TYR A 39 -3.638 12.674 21.085 1.00 3.22 H new ATOM 0 HD2 TYR A 39 -4.284 8.493 21.590 1.00 1.12 H new ATOM 0 HE1 TYR A 39 -5.826 12.883 19.991 1.00 21.42 H new ATOM 0 HE2 TYR A 39 -6.470 8.697 20.492 1.00 62.10 H new ATOM 0 HH TYR A 39 -7.934 10.036 19.523 1.00 11.45 H new ATOM 601 N GLN A 40 0.900 10.616 22.073 1.00 54.34 N ATOM 602 CA GLN A 40 2.126 10.262 22.777 1.00 32.14 C ATOM 603 C GLN A 40 1.813 9.590 24.110 1.00 31.41 C ATOM 604 O GLN A 40 2.513 8.669 24.531 1.00 15.14 O ATOM 605 CB GLN A 40 2.984 11.507 23.010 1.00 74.13 C ATOM 606 CG GLN A 40 4.449 11.196 23.268 1.00 1.51 C ATOM 607 CD GLN A 40 5.372 12.302 22.796 1.00 41.54 C ATOM 608 OE1 GLN A 40 5.737 12.363 21.621 1.00 20.12 O ATOM 609 NE2 GLN A 40 5.755 13.186 23.710 1.00 31.44 N ATOM 0 H GLN A 40 0.857 11.587 21.762 1.00 54.34 H new ATOM 0 HA GLN A 40 2.681 9.558 22.156 1.00 32.14 H new ATOM 0 HB2 GLN A 40 2.907 12.159 22.140 1.00 74.13 H new ATOM 0 HB3 GLN A 40 2.584 12.060 23.859 1.00 74.13 H new ATOM 0 HG2 GLN A 40 4.599 11.033 24.335 1.00 1.51 H new ATOM 0 HG3 GLN A 40 4.714 10.267 22.763 1.00 1.51 H new ATOM 0 HE21 GLN A 40 5.429 13.098 24.672 1.00 31.44 H new ATOM 0 HE22 GLN A 40 6.375 13.953 23.450 1.00 31.44 H new ATOM 618 N ALA A 41 0.757 10.056 24.769 1.00 4.42 N ATOM 619 CA ALA A 41 0.351 9.499 26.053 1.00 0.23 C ATOM 620 C ALA A 41 -0.294 8.129 25.878 1.00 73.23 C ATOM 621 O ALA A 41 -0.211 7.274 26.760 1.00 63.23 O ATOM 622 CB ALA A 41 -0.605 10.448 26.762 1.00 62.15 C ATOM 0 H ALA A 41 0.167 10.818 24.434 1.00 4.42 H new ATOM 0 HA ALA A 41 1.244 9.375 26.666 1.00 0.23 H new ATOM 0 HB1 ALA A 41 -0.900 10.019 27.720 1.00 62.15 H new ATOM 0 HB2 ALA A 41 -0.110 11.405 26.930 1.00 62.15 H new ATOM 0 HB3 ALA A 41 -1.490 10.601 26.145 1.00 62.15 H new ATOM 628 N LYS A 42 -0.939 7.926 24.734 1.00 61.23 N ATOM 629 CA LYS A 42 -1.599 6.659 24.441 1.00 23.11 C ATOM 630 C LYS A 42 -0.578 5.586 24.073 1.00 55.54 C ATOM 631 O LYS A 42 -0.735 4.419 24.431 1.00 60.22 O ATOM 632 CB LYS A 42 -2.604 6.835 23.300 1.00 3.25 C ATOM 633 CG LYS A 42 -4.022 7.101 23.775 1.00 2.20 C ATOM 634 CD LYS A 42 -4.144 8.467 24.430 1.00 43.14 C ATOM 635 CE LYS A 42 -4.763 8.368 25.815 1.00 31.22 C ATOM 636 NZ LYS A 42 -5.219 9.694 26.315 1.00 13.22 N ATOM 0 H LYS A 42 -1.019 8.623 23.994 1.00 61.23 H new ATOM 0 HA LYS A 42 -2.130 6.339 25.338 1.00 23.11 H new ATOM 0 HB2 LYS A 42 -2.281 7.661 22.666 1.00 3.25 H new ATOM 0 HB3 LYS A 42 -2.599 5.938 22.681 1.00 3.25 H new ATOM 0 HG2 LYS A 42 -4.707 7.039 22.930 1.00 2.20 H new ATOM 0 HG3 LYS A 42 -4.320 6.329 24.484 1.00 2.20 H new ATOM 0 HD2 LYS A 42 -3.158 8.926 24.503 1.00 43.14 H new ATOM 0 HD3 LYS A 42 -4.753 9.119 23.804 1.00 43.14 H new ATOM 0 HE2 LYS A 42 -5.608 7.680 25.787 1.00 31.22 H new ATOM 0 HE3 LYS A 42 -4.035 7.949 26.509 1.00 31.22 H new ATOM 0 HZ1 LYS A 42 -5.635 9.584 27.262 1.00 13.22 H new ATOM 0 HZ2 LYS A 42 -4.408 10.343 26.366 1.00 13.22 H new ATOM 0 HZ3 LYS A 42 -5.933 10.083 25.666 1.00 13.22 H new ATOM 650 N ILE A 43 0.466 5.991 23.357 1.00 33.41 N ATOM 651 CA ILE A 43 1.512 5.064 22.943 1.00 1.13 C ATOM 652 C ILE A 43 2.334 4.593 24.139 1.00 53.44 C ATOM 653 O ILE A 43 2.784 5.400 24.953 1.00 71.24 O ATOM 654 CB ILE A 43 2.454 5.705 21.907 1.00 4.35 C ATOM 655 CG1 ILE A 43 1.670 6.121 20.661 1.00 64.42 C ATOM 656 CG2 ILE A 43 3.572 4.741 21.540 1.00 43.10 C ATOM 657 CD1 ILE A 43 2.190 7.385 20.014 1.00 50.42 C ATOM 0 H ILE A 43 0.610 6.954 23.052 1.00 33.41 H new ATOM 0 HA ILE A 43 1.014 4.208 22.488 1.00 1.13 H new ATOM 0 HB ILE A 43 2.900 6.597 22.346 1.00 4.35 H new ATOM 0 HG12 ILE A 43 1.703 5.310 19.933 1.00 64.42 H new ATOM 0 HG13 ILE A 43 0.624 6.265 20.931 1.00 64.42 H new ATOM 0 HG21 ILE A 43 4.229 5.208 20.807 1.00 43.10 H new ATOM 0 HG22 ILE A 43 4.144 4.491 22.433 1.00 43.10 H new ATOM 0 HG23 ILE A 43 3.144 3.832 21.117 1.00 43.10 H new ATOM 0 HD11 ILE A 43 1.587 7.620 19.137 1.00 50.42 H new ATOM 0 HD12 ILE A 43 2.131 8.209 20.726 1.00 50.42 H new ATOM 0 HD13 ILE A 43 3.227 7.239 19.712 1.00 50.42 H new ATOM 669 N VAL A 44 2.527 3.282 24.237 1.00 22.12 N ATOM 670 CA VAL A 44 3.298 2.703 25.331 1.00 34.03 C ATOM 671 C VAL A 44 4.327 1.706 24.811 1.00 32.22 C ATOM 672 O VAL A 44 4.127 1.075 23.774 1.00 35.23 O ATOM 673 CB VAL A 44 2.383 1.996 26.349 1.00 10.22 C ATOM 674 CG1 VAL A 44 2.705 0.511 26.416 1.00 43.11 C ATOM 675 CG2 VAL A 44 2.515 2.641 27.721 1.00 71.22 C ATOM 0 H VAL A 44 2.160 2.601 23.572 1.00 22.12 H new ATOM 0 HA VAL A 44 3.813 3.526 25.826 1.00 34.03 H new ATOM 0 HB VAL A 44 1.350 2.104 26.019 1.00 10.22 H new ATOM 0 HG11 VAL A 44 2.049 0.029 27.140 1.00 43.11 H new ATOM 0 HG12 VAL A 44 2.555 0.061 25.434 1.00 43.11 H new ATOM 0 HG13 VAL A 44 3.743 0.377 26.721 1.00 43.11 H new ATOM 0 HG21 VAL A 44 1.862 2.129 28.428 1.00 71.22 H new ATOM 0 HG22 VAL A 44 3.548 2.565 28.061 1.00 71.22 H new ATOM 0 HG23 VAL A 44 2.230 3.691 27.658 1.00 71.22 H new ATOM 685 N GLY A 45 5.431 1.568 25.540 1.00 54.32 N ATOM 686 CA GLY A 45 6.476 0.646 25.136 1.00 34.34 C ATOM 687 C GLY A 45 7.487 0.398 26.238 1.00 44.24 C ATOM 688 O GLY A 45 8.162 1.323 26.691 1.00 13.13 O ATOM 0 H GLY A 45 5.620 2.078 26.403 1.00 54.32 H new ATOM 0 HA2 GLY A 45 6.026 -0.302 24.840 1.00 34.34 H new ATOM 0 HA3 GLY A 45 6.988 1.043 24.260 1.00 34.34 H new ATOM 692 N LYS A 46 7.594 -0.853 26.671 1.00 73.41 N ATOM 693 CA LYS A 46 8.530 -1.221 27.726 1.00 30.23 C ATOM 694 C LYS A 46 9.208 -2.551 27.413 1.00 31.31 C ATOM 695 O LYS A 46 8.567 -3.491 26.942 1.00 31.50 O ATOM 696 CB LYS A 46 7.805 -1.310 29.071 1.00 20.51 C ATOM 697 CG LYS A 46 8.740 -1.472 30.257 1.00 45.51 C ATOM 698 CD LYS A 46 8.479 -2.770 31.001 1.00 32.12 C ATOM 699 CE LYS A 46 8.772 -3.981 30.129 1.00 30.31 C ATOM 700 NZ LYS A 46 8.696 -5.252 30.901 1.00 24.34 N ATOM 0 H LYS A 46 7.043 -1.630 26.307 1.00 73.41 H new ATOM 0 HA LYS A 46 9.296 -0.448 27.783 1.00 30.23 H new ATOM 0 HB2 LYS A 46 7.206 -0.410 29.212 1.00 20.51 H new ATOM 0 HB3 LYS A 46 7.114 -2.152 29.046 1.00 20.51 H new ATOM 0 HG2 LYS A 46 9.774 -1.451 29.912 1.00 45.51 H new ATOM 0 HG3 LYS A 46 8.614 -0.630 30.938 1.00 45.51 H new ATOM 0 HD2 LYS A 46 9.098 -2.808 31.897 1.00 32.12 H new ATOM 0 HD3 LYS A 46 7.440 -2.800 31.330 1.00 32.12 H new ATOM 0 HE2 LYS A 46 8.061 -4.015 29.303 1.00 30.31 H new ATOM 0 HE3 LYS A 46 9.765 -3.881 29.691 1.00 30.31 H new ATOM 0 HZ1 LYS A 46 8.902 -6.054 30.271 1.00 24.34 H new ATOM 0 HZ2 LYS A 46 9.392 -5.231 31.674 1.00 24.34 H new ATOM 0 HZ3 LYS A 46 7.741 -5.360 31.298 1.00 24.34 H new ATOM 714 N THR A 47 10.508 -2.625 27.679 1.00 45.42 N ATOM 715 CA THR A 47 11.273 -3.839 27.426 1.00 71.34 C ATOM 716 C THR A 47 12.249 -4.122 28.562 1.00 12.31 C ATOM 717 O THR A 47 13.098 -3.292 28.884 1.00 41.10 O ATOM 718 CB THR A 47 12.057 -3.744 26.103 1.00 74.51 C ATOM 719 OG1 THR A 47 12.840 -4.928 25.912 1.00 52.15 O ATOM 720 CG2 THR A 47 12.964 -2.523 26.098 1.00 71.52 C ATOM 0 H THR A 47 11.054 -1.857 28.070 1.00 45.42 H new ATOM 0 HA THR A 47 10.554 -4.656 27.357 1.00 71.34 H new ATOM 0 HB THR A 47 11.341 -3.647 25.287 1.00 74.51 H new ATOM 0 HG1 THR A 47 13.334 -4.861 25.068 1.00 52.15 H new ATOM 0 HG21 THR A 47 13.507 -2.477 25.154 1.00 71.52 H new ATOM 0 HG22 THR A 47 12.362 -1.622 26.214 1.00 71.52 H new ATOM 0 HG23 THR A 47 13.674 -2.594 26.922 1.00 71.52 H new ATOM 728 N ASN A 48 12.122 -5.299 29.166 1.00 11.22 N ATOM 729 CA ASN A 48 12.994 -5.691 30.268 1.00 53.53 C ATOM 730 C ASN A 48 12.551 -7.023 30.865 1.00 70.05 C ATOM 731 O ASN A 48 11.408 -7.453 30.707 1.00 61.01 O ATOM 732 CB ASN A 48 12.998 -4.610 31.351 1.00 22.11 C ATOM 733 CG ASN A 48 14.388 -4.066 31.620 1.00 62.44 C ATOM 734 OD1 ASN A 48 14.840 -4.023 32.764 1.00 35.22 O ATOM 735 ND2 ASN A 48 15.074 -3.648 30.562 1.00 1.23 N ATOM 0 H ASN A 48 11.424 -5.998 28.911 1.00 11.22 H new ATOM 0 HA ASN A 48 14.004 -5.807 29.876 1.00 53.53 H new ATOM 0 HB2 ASN A 48 12.344 -3.793 31.047 1.00 22.11 H new ATOM 0 HB3 ASN A 48 12.587 -5.022 32.273 1.00 22.11 H new ATOM 0 HD21 ASN A 48 16.015 -3.273 30.680 1.00 1.23 H new ATOM 0 HD22 ASN A 48 14.660 -3.702 29.632 1.00 1.23 H new ATOM 742 N PRO A 49 13.476 -7.693 31.567 1.00 22.14 N ATOM 743 CA PRO A 49 13.205 -8.986 32.203 1.00 14.21 C ATOM 744 C PRO A 49 12.253 -8.860 33.388 1.00 25.43 C ATOM 745 O PRO A 49 11.282 -9.608 33.499 1.00 65.33 O ATOM 746 CB PRO A 49 14.586 -9.447 32.673 1.00 64.31 C ATOM 747 CG PRO A 49 15.368 -8.190 32.845 1.00 75.45 C ATOM 748 CD PRO A 49 14.859 -7.240 31.796 1.00 35.11 C ATOM 0 HA PRO A 49 12.718 -9.682 31.520 1.00 14.21 H new ATOM 0 HB2 PRO A 49 14.520 -10.003 33.608 1.00 64.31 H new ATOM 0 HB3 PRO A 49 15.053 -10.107 31.942 1.00 64.31 H new ATOM 0 HG2 PRO A 49 15.230 -7.778 33.845 1.00 75.45 H new ATOM 0 HG3 PRO A 49 16.435 -8.374 32.720 1.00 75.45 H new ATOM 0 HD2 PRO A 49 14.891 -6.206 32.140 1.00 35.11 H new ATOM 0 HD3 PRO A 49 15.455 -7.291 30.885 1.00 35.11 H new ATOM 756 N ALA A 50 12.539 -7.910 34.272 1.00 11.03 N ATOM 757 CA ALA A 50 11.707 -7.685 35.448 1.00 60.40 C ATOM 758 C ALA A 50 11.278 -6.226 35.546 1.00 55.51 C ATOM 759 O ALA A 50 11.018 -5.717 36.636 1.00 10.35 O ATOM 760 CB ALA A 50 12.450 -8.105 36.708 1.00 52.31 C ATOM 0 H ALA A 50 13.341 -7.284 34.196 1.00 11.03 H new ATOM 0 HA ALA A 50 10.809 -8.294 35.349 1.00 60.40 H new ATOM 0 HB1 ALA A 50 11.817 -7.932 37.578 1.00 52.31 H new ATOM 0 HB2 ALA A 50 12.701 -9.164 36.647 1.00 52.31 H new ATOM 0 HB3 ALA A 50 13.365 -7.521 36.803 1.00 52.31 H new ATOM 766 N ASP A 51 11.205 -5.557 34.400 1.00 4.12 N ATOM 767 CA ASP A 51 10.807 -4.155 34.357 1.00 10.20 C ATOM 768 C ASP A 51 11.815 -3.280 35.096 1.00 21.31 C ATOM 769 O ASP A 51 11.449 -2.499 35.975 1.00 54.11 O ATOM 770 CB ASP A 51 9.416 -3.979 34.968 1.00 51.30 C ATOM 771 CG ASP A 51 8.763 -2.674 34.555 1.00 70.31 C ATOM 772 OD1 ASP A 51 9.491 -1.760 34.115 1.00 71.32 O ATOM 773 OD2 ASP A 51 7.524 -2.567 34.673 1.00 61.25 O ATOM 0 H ASP A 51 11.416 -5.963 33.489 1.00 4.12 H new ATOM 0 HA ASP A 51 10.779 -3.843 33.313 1.00 10.20 H new ATOM 0 HB2 ASP A 51 8.781 -4.812 34.665 1.00 51.30 H new ATOM 0 HB3 ASP A 51 9.492 -4.016 36.055 1.00 51.30 H new ATOM 778 N LEU A 52 13.086 -3.418 34.735 1.00 1.22 N ATOM 779 CA LEU A 52 14.148 -2.641 35.365 1.00 44.14 C ATOM 780 C LEU A 52 14.559 -1.465 34.483 1.00 33.45 C ATOM 781 O LEU A 52 15.281 -0.569 34.922 1.00 30.11 O ATOM 782 CB LEU A 52 15.361 -3.531 35.644 1.00 12.24 C ATOM 783 CG LEU A 52 15.056 -4.934 36.170 1.00 63.24 C ATOM 784 CD1 LEU A 52 16.274 -5.834 36.025 1.00 73.12 C ATOM 785 CD2 LEU A 52 14.605 -4.874 37.622 1.00 40.03 C ATOM 0 H LEU A 52 13.406 -4.060 34.010 1.00 1.22 H new ATOM 0 HA LEU A 52 13.767 -2.249 36.308 1.00 44.14 H new ATOM 0 HB2 LEU A 52 15.936 -3.627 34.723 1.00 12.24 H new ATOM 0 HB3 LEU A 52 16.000 -3.024 36.367 1.00 12.24 H new ATOM 0 HG LEU A 52 14.245 -5.355 35.576 1.00 63.24 H new ATOM 0 HD11 LEU A 52 16.039 -6.828 36.404 1.00 73.12 H new ATOM 0 HD12 LEU A 52 16.552 -5.903 34.973 1.00 73.12 H new ATOM 0 HD13 LEU A 52 17.105 -5.416 36.593 1.00 73.12 H new ATOM 0 HD21 LEU A 52 14.392 -5.882 37.979 1.00 40.03 H new ATOM 0 HD22 LEU A 52 15.394 -4.433 38.230 1.00 40.03 H new ATOM 0 HD23 LEU A 52 13.704 -4.265 37.698 1.00 40.03 H new ATOM 797 N LEU A 53 14.092 -1.474 33.240 1.00 61.02 N ATOM 798 CA LEU A 53 14.408 -0.407 32.296 1.00 23.15 C ATOM 799 C LEU A 53 14.133 0.962 32.910 1.00 21.25 C ATOM 800 O LEU A 53 13.182 1.132 33.672 1.00 23.04 O ATOM 801 CB LEU A 53 13.593 -0.576 31.013 1.00 64.10 C ATOM 802 CG LEU A 53 13.808 0.489 29.937 1.00 72.33 C ATOM 803 CD1 LEU A 53 14.780 -0.010 28.879 1.00 3.30 C ATOM 804 CD2 LEU A 53 12.481 0.880 29.302 1.00 3.11 C ATOM 0 H LEU A 53 13.493 -2.208 32.862 1.00 61.02 H new ATOM 0 HA LEU A 53 15.469 -0.471 32.056 1.00 23.15 H new ATOM 0 HB2 LEU A 53 13.826 -1.550 30.584 1.00 64.10 H new ATOM 0 HB3 LEU A 53 12.536 -0.589 31.277 1.00 64.10 H new ATOM 0 HG LEU A 53 14.238 1.373 30.408 1.00 72.33 H new ATOM 0 HD11 LEU A 53 14.921 0.761 28.122 1.00 3.30 H new ATOM 0 HD12 LEU A 53 15.738 -0.240 29.345 1.00 3.30 H new ATOM 0 HD13 LEU A 53 14.379 -0.909 28.411 1.00 3.30 H new ATOM 0 HD21 LEU A 53 12.653 1.639 28.539 1.00 3.11 H new ATOM 0 HD22 LEU A 53 12.024 0.002 28.845 1.00 3.11 H new ATOM 0 HD23 LEU A 53 11.815 1.279 30.067 1.00 3.11 H new ATOM 816 N GLY A 54 14.972 1.937 32.571 1.00 34.52 N ATOM 817 CA GLY A 54 14.800 3.279 33.096 1.00 24.54 C ATOM 818 C GLY A 54 13.468 3.887 32.709 1.00 54.35 C ATOM 819 O GLY A 54 12.437 3.565 33.298 1.00 14.33 O ATOM 0 H GLY A 54 15.767 1.821 31.943 1.00 34.52 H new ATOM 0 HA2 GLY A 54 14.882 3.254 34.183 1.00 24.54 H new ATOM 0 HA3 GLY A 54 15.606 3.915 32.730 1.00 24.54 H new ATOM 823 N GLN A 55 13.489 4.770 31.715 1.00 13.44 N ATOM 824 CA GLN A 55 12.272 5.427 31.252 1.00 43.22 C ATOM 825 C GLN A 55 12.258 5.535 29.731 1.00 74.04 C ATOM 826 O GLN A 55 13.300 5.549 29.075 1.00 54.11 O ATOM 827 CB GLN A 55 12.150 6.819 31.875 1.00 72.12 C ATOM 828 CG GLN A 55 13.409 7.659 31.739 1.00 43.21 C ATOM 829 CD GLN A 55 14.031 7.999 33.079 1.00 65.01 C ATOM 830 OE1 GLN A 55 13.988 7.202 34.017 1.00 54.23 O ATOM 831 NE2 GLN A 55 14.616 9.187 33.176 1.00 0.32 N ATOM 0 H GLN A 55 14.334 5.046 31.216 1.00 13.44 H new ATOM 0 HA GLN A 55 11.421 4.822 31.563 1.00 43.22 H new ATOM 0 HB2 GLN A 55 11.319 7.346 31.406 1.00 72.12 H new ATOM 0 HB3 GLN A 55 11.905 6.715 32.932 1.00 72.12 H new ATOM 0 HG2 GLN A 55 14.136 7.121 31.131 1.00 43.21 H new ATOM 0 HG3 GLN A 55 13.171 8.581 31.209 1.00 43.21 H new ATOM 0 HE21 GLN A 55 14.628 9.816 32.373 1.00 0.32 H new ATOM 0 HE22 GLN A 55 15.053 9.470 34.053 1.00 0.32 H new ATOM 840 N PRO A 56 11.049 5.613 29.154 1.00 61.40 N ATOM 841 CA PRO A 56 10.870 5.721 27.703 1.00 32.31 C ATOM 842 C PRO A 56 11.323 7.072 27.162 1.00 10.31 C ATOM 843 O PRO A 56 11.223 8.091 27.846 1.00 35.21 O ATOM 844 CB PRO A 56 9.360 5.550 27.519 1.00 72.14 C ATOM 845 CG PRO A 56 8.768 5.985 28.815 1.00 23.50 C ATOM 846 CD PRO A 56 9.765 5.601 29.874 1.00 13.30 C ATOM 0 HA PRO A 56 11.465 4.985 27.163 1.00 32.31 H new ATOM 0 HB2 PRO A 56 8.991 6.157 26.692 1.00 72.14 H new ATOM 0 HB3 PRO A 56 9.103 4.515 27.294 1.00 72.14 H new ATOM 0 HG2 PRO A 56 8.587 7.060 28.820 1.00 23.50 H new ATOM 0 HG3 PRO A 56 7.808 5.499 28.988 1.00 23.50 H new ATOM 0 HD2 PRO A 56 9.763 6.308 30.703 1.00 13.30 H new ATOM 0 HD3 PRO A 56 9.548 4.618 30.293 1.00 13.30 H new ATOM 854 N SER A 57 11.822 7.074 25.930 1.00 53.40 N ATOM 855 CA SER A 57 12.294 8.301 25.298 1.00 14.14 C ATOM 856 C SER A 57 11.635 8.499 23.937 1.00 50.15 C ATOM 857 O SER A 57 12.158 8.061 22.912 1.00 73.24 O ATOM 858 CB SER A 57 13.815 8.266 25.142 1.00 40.35 C ATOM 859 OG SER A 57 14.230 9.033 24.024 1.00 2.15 O ATOM 0 H SER A 57 11.910 6.240 25.350 1.00 53.40 H new ATOM 0 HA SER A 57 12.021 9.139 25.939 1.00 14.14 H new ATOM 0 HB2 SER A 57 14.286 8.651 26.046 1.00 40.35 H new ATOM 0 HB3 SER A 57 14.148 7.235 25.024 1.00 40.35 H new ATOM 0 HG SER A 57 13.800 8.689 23.213 1.00 2.15 H new ATOM 865 N PHE A 58 10.484 9.163 23.934 1.00 34.31 N ATOM 866 CA PHE A 58 9.751 9.419 22.699 1.00 24.22 C ATOM 867 C PHE A 58 10.581 10.268 21.741 1.00 64.11 C ATOM 868 O PHE A 58 11.457 11.023 22.163 1.00 22.10 O ATOM 869 CB PHE A 58 8.426 10.121 23.003 1.00 22.43 C ATOM 870 CG PHE A 58 7.664 9.497 24.137 1.00 20.13 C ATOM 871 CD1 PHE A 58 7.644 8.121 24.302 1.00 12.44 C ATOM 872 CD2 PHE A 58 6.967 10.286 25.038 1.00 2.31 C ATOM 873 CE1 PHE A 58 6.944 7.544 25.345 1.00 13.31 C ATOM 874 CE2 PHE A 58 6.266 9.715 26.083 1.00 72.12 C ATOM 875 CZ PHE A 58 6.253 8.342 26.236 1.00 51.21 C ATOM 0 H PHE A 58 10.038 9.534 24.773 1.00 34.31 H new ATOM 0 HA PHE A 58 9.545 8.460 22.223 1.00 24.22 H new ATOM 0 HB2 PHE A 58 8.624 11.166 23.240 1.00 22.43 H new ATOM 0 HB3 PHE A 58 7.804 10.110 22.108 1.00 22.43 H new ATOM 0 HD1 PHE A 58 8.182 7.492 23.608 1.00 12.44 H new ATOM 0 HD2 PHE A 58 6.972 11.360 24.922 1.00 2.31 H new ATOM 0 HE1 PHE A 58 6.937 6.471 25.463 1.00 13.31 H new ATOM 0 HE2 PHE A 58 5.729 10.342 26.780 1.00 72.12 H new ATOM 0 HZ PHE A 58 5.704 7.894 27.051 1.00 51.21 H new ATOM 885 N SER A 59 10.299 10.138 20.449 1.00 64.35 N ATOM 886 CA SER A 59 11.022 10.889 19.429 1.00 50.20 C ATOM 887 C SER A 59 10.491 12.316 19.327 1.00 32.21 C ATOM 888 O SER A 59 10.965 13.111 18.516 1.00 41.41 O ATOM 889 CB SER A 59 10.905 10.191 18.072 1.00 4.45 C ATOM 890 OG SER A 59 12.080 9.457 17.774 1.00 31.12 O ATOM 0 H SER A 59 9.575 9.520 20.083 1.00 64.35 H new ATOM 0 HA SER A 59 12.072 10.930 19.719 1.00 50.20 H new ATOM 0 HB2 SER A 59 10.045 9.521 18.077 1.00 4.45 H new ATOM 0 HB3 SER A 59 10.727 10.932 17.292 1.00 4.45 H new ATOM 0 HG SER A 59 12.125 9.289 16.810 1.00 31.12 H new ATOM 896 N LYS A 60 9.502 12.633 20.156 1.00 24.15 N ATOM 897 CA LYS A 60 8.905 13.963 20.163 1.00 44.21 C ATOM 898 C LYS A 60 8.171 14.236 18.854 1.00 10.32 C ATOM 899 O LYS A 60 8.778 14.261 17.784 1.00 35.32 O ATOM 900 CB LYS A 60 9.983 15.027 20.387 1.00 35.02 C ATOM 901 CG LYS A 60 9.443 16.328 20.955 1.00 42.53 C ATOM 902 CD LYS A 60 8.891 16.139 22.357 1.00 34.44 C ATOM 903 CE LYS A 60 7.420 16.520 22.433 1.00 20.45 C ATOM 904 NZ LYS A 60 7.103 17.258 23.687 1.00 14.20 N ATOM 0 H LYS A 60 9.097 11.986 20.832 1.00 24.15 H new ATOM 0 HA LYS A 60 8.184 14.007 20.980 1.00 44.21 H new ATOM 0 HB2 LYS A 60 10.739 14.630 21.065 1.00 35.02 H new ATOM 0 HB3 LYS A 60 10.481 15.233 19.440 1.00 35.02 H new ATOM 0 HG2 LYS A 60 10.237 17.075 20.973 1.00 42.53 H new ATOM 0 HG3 LYS A 60 8.659 16.712 20.303 1.00 42.53 H new ATOM 0 HD2 LYS A 60 9.015 15.100 22.661 1.00 34.44 H new ATOM 0 HD3 LYS A 60 9.462 16.747 23.059 1.00 34.44 H new ATOM 0 HE2 LYS A 60 7.160 17.137 21.573 1.00 20.45 H new ATOM 0 HE3 LYS A 60 6.808 15.620 22.377 1.00 20.45 H new ATOM 0 HZ1 LYS A 60 6.092 17.500 23.701 1.00 14.20 H new ATOM 0 HZ2 LYS A 60 7.328 16.660 24.508 1.00 14.20 H new ATOM 0 HZ3 LYS A 60 7.668 18.130 23.729 1.00 14.20 H new ATOM 918 N GLY A 61 6.861 14.443 18.948 1.00 72.21 N ATOM 919 CA GLY A 61 6.066 14.713 17.764 1.00 31.11 C ATOM 920 C GLY A 61 5.579 16.147 17.707 1.00 3.33 C ATOM 921 O GLY A 61 6.365 17.082 17.857 1.00 24.13 O ATOM 0 H GLY A 61 6.336 14.429 19.823 1.00 72.21 H new ATOM 0 HA2 GLY A 61 6.659 14.499 16.875 1.00 31.11 H new ATOM 0 HA3 GLY A 61 5.209 14.040 17.745 1.00 31.11 H new ATOM 925 N GLU A 62 4.280 16.322 17.488 1.00 34.45 N ATOM 926 CA GLU A 62 3.691 17.653 17.410 1.00 52.23 C ATOM 927 C GLU A 62 2.550 17.804 18.412 1.00 5.15 C ATOM 928 O GLU A 62 1.766 16.879 18.618 1.00 14.13 O ATOM 929 CB GLU A 62 3.179 17.926 15.994 1.00 73.33 C ATOM 930 CG GLU A 62 4.273 17.918 14.939 1.00 15.41 C ATOM 931 CD GLU A 62 4.234 16.678 14.067 1.00 0.32 C ATOM 932 OE1 GLU A 62 4.198 15.562 14.626 1.00 22.11 O ATOM 933 OE2 GLU A 62 4.240 16.824 12.827 1.00 20.21 O ATOM 0 H GLU A 62 3.615 15.559 17.361 1.00 34.45 H new ATOM 0 HA GLU A 62 4.466 18.379 17.656 1.00 52.23 H new ATOM 0 HB2 GLU A 62 2.432 17.176 15.736 1.00 73.33 H new ATOM 0 HB3 GLU A 62 2.678 18.894 15.978 1.00 73.33 H new ATOM 0 HG2 GLU A 62 4.173 18.803 14.310 1.00 15.41 H new ATOM 0 HG3 GLU A 62 5.245 17.983 15.428 1.00 15.41 H new ATOM 940 N GLU A 63 2.467 18.977 19.033 1.00 23.33 N ATOM 941 CA GLU A 63 1.424 19.248 20.016 1.00 64.05 C ATOM 942 C GLU A 63 0.122 19.648 19.329 1.00 14.43 C ATOM 943 O GLU A 63 0.116 20.473 18.415 1.00 14.22 O ATOM 944 CB GLU A 63 1.870 20.355 20.973 1.00 23.12 C ATOM 945 CG GLU A 63 3.163 20.041 21.707 1.00 63.33 C ATOM 946 CD GLU A 63 3.594 21.159 22.635 1.00 11.44 C ATOM 947 OE1 GLU A 63 2.961 22.236 22.600 1.00 62.31 O ATOM 948 OE2 GLU A 63 4.563 20.959 23.397 1.00 51.30 O ATOM 0 H GLU A 63 3.109 19.754 18.873 1.00 23.33 H new ATOM 0 HA GLU A 63 1.249 18.335 20.585 1.00 64.05 H new ATOM 0 HB2 GLU A 63 1.997 21.280 20.411 1.00 23.12 H new ATOM 0 HB3 GLU A 63 1.081 20.532 21.704 1.00 23.12 H new ATOM 0 HG2 GLU A 63 3.036 19.125 22.283 1.00 63.33 H new ATOM 0 HG3 GLU A 63 3.953 19.853 20.980 1.00 63.33 H new ATOM 955 N LYS A 64 -0.982 19.058 19.776 1.00 25.24 N ATOM 956 CA LYS A 64 -2.292 19.352 19.208 1.00 65.43 C ATOM 957 C LYS A 64 -3.368 19.346 20.289 1.00 44.23 C ATOM 958 O LYS A 64 -3.275 18.603 21.265 1.00 2.10 O ATOM 959 CB LYS A 64 -2.639 18.331 18.122 1.00 75.03 C ATOM 960 CG LYS A 64 -3.934 18.639 17.390 1.00 73.10 C ATOM 961 CD LYS A 64 -5.082 17.786 17.904 1.00 62.42 C ATOM 962 CE LYS A 64 -5.360 16.611 16.979 1.00 31.51 C ATOM 963 NZ LYS A 64 -6.628 16.791 16.219 1.00 20.01 N ATOM 0 H LYS A 64 -0.995 18.372 20.531 1.00 25.24 H new ATOM 0 HA LYS A 64 -2.254 20.347 18.765 1.00 65.43 H new ATOM 0 HB2 LYS A 64 -1.824 18.290 17.400 1.00 75.03 H new ATOM 0 HB3 LYS A 64 -2.714 17.342 18.575 1.00 75.03 H new ATOM 0 HG2 LYS A 64 -4.180 19.694 17.512 1.00 73.10 H new ATOM 0 HG3 LYS A 64 -3.800 18.465 16.322 1.00 73.10 H new ATOM 0 HD2 LYS A 64 -4.844 17.417 18.902 1.00 62.42 H new ATOM 0 HD3 LYS A 64 -5.979 18.398 17.996 1.00 62.42 H new ATOM 0 HE2 LYS A 64 -4.531 16.495 16.280 1.00 31.51 H new ATOM 0 HE3 LYS A 64 -5.415 15.693 17.564 1.00 31.51 H new ATOM 0 HZ1 LYS A 64 -6.950 15.870 15.858 1.00 20.01 H new ATOM 0 HZ2 LYS A 64 -7.355 17.191 16.846 1.00 20.01 H new ATOM 0 HZ3 LYS A 64 -6.466 17.438 15.421 1.00 20.01 H new ATOM 977 N GLU A 65 -4.388 20.179 20.106 1.00 21.31 N ATOM 978 CA GLU A 65 -5.481 20.268 21.067 1.00 54.04 C ATOM 979 C GLU A 65 -6.788 19.777 20.451 1.00 72.45 C ATOM 980 O GLU A 65 -7.152 20.172 19.343 1.00 62.23 O ATOM 981 CB GLU A 65 -5.645 21.709 21.554 1.00 1.13 C ATOM 982 CG GLU A 65 -4.333 22.376 21.934 1.00 73.32 C ATOM 983 CD GLU A 65 -3.813 23.299 20.849 1.00 22.23 C ATOM 984 OE1 GLU A 65 -4.639 23.969 20.195 1.00 62.24 O ATOM 985 OE2 GLU A 65 -2.580 23.351 20.655 1.00 55.11 O ATOM 0 H GLU A 65 -4.480 20.801 19.303 1.00 21.31 H new ATOM 0 HA GLU A 65 -5.237 19.630 21.916 1.00 54.04 H new ATOM 0 HB2 GLU A 65 -6.128 22.295 20.772 1.00 1.13 H new ATOM 0 HB3 GLU A 65 -6.311 21.719 22.417 1.00 1.13 H new ATOM 0 HG2 GLU A 65 -4.471 22.944 22.854 1.00 73.32 H new ATOM 0 HG3 GLU A 65 -3.587 21.609 22.142 1.00 73.32 H new ATOM 992 N ASP A 66 -7.489 18.912 21.176 1.00 11.42 N ATOM 993 CA ASP A 66 -8.756 18.367 20.702 1.00 23.44 C ATOM 994 C ASP A 66 -9.660 17.997 21.874 1.00 71.21 C ATOM 995 O ASP A 66 -9.393 18.366 23.017 1.00 42.22 O ATOM 996 CB ASP A 66 -8.510 17.139 19.824 1.00 22.44 C ATOM 997 CG ASP A 66 -9.417 17.104 18.610 1.00 0.03 C ATOM 998 OD1 ASP A 66 -9.202 17.916 17.685 1.00 33.44 O ATOM 999 OD2 ASP A 66 -10.341 16.265 18.584 1.00 31.24 O ATOM 0 H ASP A 66 -7.201 18.573 22.094 1.00 11.42 H new ATOM 0 HA ASP A 66 -9.255 19.134 20.109 1.00 23.44 H new ATOM 0 HB2 ASP A 66 -7.470 17.132 19.497 1.00 22.44 H new ATOM 0 HB3 ASP A 66 -8.664 16.236 20.415 1.00 22.44 H new ATOM 1004 N GLU A 67 -10.731 17.266 21.580 1.00 15.44 N ATOM 1005 CA GLU A 67 -11.676 16.849 22.610 1.00 60.00 C ATOM 1006 C GLU A 67 -11.567 15.350 22.872 1.00 34.42 C ATOM 1007 O GLU A 67 -12.179 14.825 23.803 1.00 71.10 O ATOM 1008 CB GLU A 67 -13.106 17.203 22.196 1.00 43.14 C ATOM 1009 CG GLU A 67 -13.452 16.778 20.779 1.00 63.15 C ATOM 1010 CD GLU A 67 -14.876 17.129 20.395 1.00 12.34 C ATOM 1011 OE1 GLU A 67 -15.804 16.435 20.859 1.00 34.30 O ATOM 1012 OE2 GLU A 67 -15.062 18.100 19.632 1.00 72.24 O ATOM 0 H GLU A 67 -10.966 16.951 20.639 1.00 15.44 H new ATOM 0 HA GLU A 67 -11.430 17.380 23.529 1.00 60.00 H new ATOM 0 HB2 GLU A 67 -13.803 16.731 22.888 1.00 43.14 H new ATOM 0 HB3 GLU A 67 -13.246 18.280 22.288 1.00 43.14 H new ATOM 0 HG2 GLU A 67 -12.764 17.256 20.082 1.00 63.15 H new ATOM 0 HG3 GLU A 67 -13.308 15.702 20.681 1.00 63.15 H new ATOM 1019 N PHE A 68 -10.785 14.665 22.044 1.00 1.33 N ATOM 1020 CA PHE A 68 -10.597 13.226 22.185 1.00 44.13 C ATOM 1021 C PHE A 68 -9.483 12.918 23.182 1.00 72.14 C ATOM 1022 O PHE A 68 -9.177 11.755 23.448 1.00 52.51 O ATOM 1023 CB PHE A 68 -10.270 12.598 20.828 1.00 10.31 C ATOM 1024 CG PHE A 68 -11.466 12.452 19.932 1.00 73.03 C ATOM 1025 CD1 PHE A 68 -12.202 13.562 19.549 1.00 11.05 C ATOM 1026 CD2 PHE A 68 -11.855 11.204 19.472 1.00 54.22 C ATOM 1027 CE1 PHE A 68 -13.303 13.431 18.724 1.00 33.04 C ATOM 1028 CE2 PHE A 68 -12.955 11.067 18.646 1.00 13.03 C ATOM 1029 CZ PHE A 68 -13.681 12.182 18.273 1.00 21.52 C ATOM 0 H PHE A 68 -10.271 15.083 21.268 1.00 1.33 H new ATOM 0 HA PHE A 68 -11.526 12.798 22.562 1.00 44.13 H new ATOM 0 HB2 PHE A 68 -9.521 13.209 20.325 1.00 10.31 H new ATOM 0 HB3 PHE A 68 -9.824 11.616 20.989 1.00 10.31 H new ATOM 0 HD1 PHE A 68 -11.912 14.541 19.900 1.00 11.05 H new ATOM 0 HD2 PHE A 68 -11.293 10.329 19.762 1.00 54.22 H new ATOM 0 HE1 PHE A 68 -13.867 14.305 18.432 1.00 33.04 H new ATOM 0 HE2 PHE A 68 -13.247 10.089 18.292 1.00 13.03 H new ATOM 0 HZ PHE A 68 -14.542 12.077 17.630 1.00 21.52 H new ATOM 1039 N PHE A 69 -8.880 13.968 23.729 1.00 33.13 N ATOM 1040 CA PHE A 69 -7.800 13.811 24.696 1.00 64.13 C ATOM 1041 C PHE A 69 -7.380 15.162 25.267 1.00 42.35 C ATOM 1042 O PHE A 69 -7.006 15.266 26.434 1.00 45.32 O ATOM 1043 CB PHE A 69 -6.598 13.125 24.042 1.00 11.21 C ATOM 1044 CG PHE A 69 -5.877 13.995 23.052 1.00 21.23 C ATOM 1045 CD1 PHE A 69 -6.526 14.467 21.923 1.00 1.21 C ATOM 1046 CD2 PHE A 69 -4.550 14.339 23.251 1.00 4.40 C ATOM 1047 CE1 PHE A 69 -5.865 15.268 21.010 1.00 33.04 C ATOM 1048 CE2 PHE A 69 -3.884 15.140 22.342 1.00 0.12 C ATOM 1049 CZ PHE A 69 -4.542 15.604 21.220 1.00 72.11 C ATOM 0 H PHE A 69 -9.121 14.937 23.519 1.00 33.13 H new ATOM 0 HA PHE A 69 -8.165 13.189 25.513 1.00 64.13 H new ATOM 0 HB2 PHE A 69 -5.899 12.816 24.819 1.00 11.21 H new ATOM 0 HB3 PHE A 69 -6.936 12.219 23.539 1.00 11.21 H new ATOM 0 HD1 PHE A 69 -7.560 14.206 21.754 1.00 1.21 H new ATOM 0 HD2 PHE A 69 -4.030 13.978 24.126 1.00 4.40 H new ATOM 0 HE1 PHE A 69 -6.383 15.630 20.134 1.00 33.04 H new ATOM 0 HE2 PHE A 69 -2.850 15.403 22.509 1.00 0.12 H new ATOM 0 HZ PHE A 69 -4.023 16.229 20.508 1.00 72.11 H new ATOM 1059 N GLY A 70 -7.445 16.196 24.433 1.00 43.21 N ATOM 1060 CA GLY A 70 -7.068 17.527 24.871 1.00 10.44 C ATOM 1061 C GLY A 70 -5.808 18.026 24.193 1.00 42.43 C ATOM 1062 O GLY A 70 -5.546 17.698 23.036 1.00 72.44 O ATOM 0 H GLY A 70 -7.752 16.135 23.462 1.00 43.21 H new ATOM 0 HA2 GLY A 70 -7.885 18.219 24.666 1.00 10.44 H new ATOM 0 HA3 GLY A 70 -6.918 17.522 25.951 1.00 10.44 H new ATOM 1066 N ARG A 71 -5.026 18.824 24.913 1.00 22.31 N ATOM 1067 CA ARG A 71 -3.788 19.371 24.372 1.00 4.42 C ATOM 1068 C ARG A 71 -2.594 18.503 24.759 1.00 32.14 C ATOM 1069 O ARG A 71 -2.108 18.569 25.888 1.00 64.42 O ATOM 1070 CB ARG A 71 -3.576 20.801 24.873 1.00 5.14 C ATOM 1071 CG ARG A 71 -3.697 20.942 26.382 1.00 54.01 C ATOM 1072 CD ARG A 71 -4.808 21.909 26.763 1.00 24.32 C ATOM 1073 NE ARG A 71 -4.545 22.567 28.040 1.00 14.21 N ATOM 1074 CZ ARG A 71 -3.709 23.590 28.182 1.00 74.24 C ATOM 1075 NH1 ARG A 71 -3.058 24.069 27.130 1.00 35.44 N ATOM 1076 NH2 ARG A 71 -3.524 24.136 29.377 1.00 63.05 N ATOM 0 H ARG A 71 -5.228 19.106 25.872 1.00 22.31 H new ATOM 0 HA ARG A 71 -3.870 19.382 23.285 1.00 4.42 H new ATOM 0 HB2 ARG A 71 -2.589 21.143 24.563 1.00 5.14 H new ATOM 0 HB3 ARG A 71 -4.305 21.456 24.396 1.00 5.14 H new ATOM 0 HG2 ARG A 71 -3.895 19.966 26.825 1.00 54.01 H new ATOM 0 HG3 ARG A 71 -2.750 21.293 26.793 1.00 54.01 H new ATOM 0 HD2 ARG A 71 -4.917 22.662 25.983 1.00 24.32 H new ATOM 0 HD3 ARG A 71 -5.754 21.370 26.820 1.00 24.32 H new ATOM 0 HE ARG A 71 -5.030 22.222 28.869 1.00 14.21 H new ATOM 0 HH11 ARG A 71 -3.199 23.652 26.210 1.00 35.44 H new ATOM 0 HH12 ARG A 71 -2.417 24.854 27.241 1.00 35.44 H new ATOM 0 HH21 ARG A 71 -4.024 23.770 30.188 1.00 63.05 H new ATOM 0 HH22 ARG A 71 -2.882 24.921 29.485 1.00 63.05 H new ATOM 1090 N GLN A 72 -2.129 17.690 23.816 1.00 53.52 N ATOM 1091 CA GLN A 72 -0.994 16.808 24.059 1.00 0.54 C ATOM 1092 C GLN A 72 -0.228 16.539 22.769 1.00 64.43 C ATOM 1093 O GLN A 72 -0.693 16.867 21.677 1.00 72.42 O ATOM 1094 CB GLN A 72 -1.468 15.489 24.670 1.00 33.32 C ATOM 1095 CG GLN A 72 -1.147 15.353 26.150 1.00 64.22 C ATOM 1096 CD GLN A 72 0.332 15.144 26.409 1.00 64.24 C ATOM 1097 OE1 GLN A 72 0.955 14.251 25.832 1.00 2.45 O ATOM 1098 NE2 GLN A 72 0.904 15.968 27.279 1.00 35.02 N ATOM 0 H GLN A 72 -2.521 17.624 22.877 1.00 53.52 H new ATOM 0 HA GLN A 72 -0.324 17.305 24.761 1.00 0.54 H new ATOM 0 HB2 GLN A 72 -2.545 15.400 24.531 1.00 33.32 H new ATOM 0 HB3 GLN A 72 -1.008 14.662 24.130 1.00 33.32 H new ATOM 0 HG2 GLN A 72 -1.481 16.248 26.674 1.00 64.22 H new ATOM 0 HG3 GLN A 72 -1.707 14.514 26.564 1.00 64.22 H new ATOM 0 HE21 GLN A 72 0.350 16.694 27.734 1.00 35.02 H new ATOM 0 HE22 GLN A 72 1.897 15.875 27.492 1.00 35.02 H new ATOM 1107 N THR A 73 0.952 15.939 22.901 1.00 74.24 N ATOM 1108 CA THR A 73 1.784 15.626 21.746 1.00 54.34 C ATOM 1109 C THR A 73 1.328 14.337 21.072 1.00 15.12 C ATOM 1110 O THR A 73 0.990 13.361 21.742 1.00 62.42 O ATOM 1111 CB THR A 73 3.266 15.489 22.142 1.00 72.33 C ATOM 1112 OG1 THR A 73 3.461 15.962 23.479 1.00 65.11 O ATOM 1113 CG2 THR A 73 4.156 16.270 21.187 1.00 72.33 C ATOM 0 H THR A 73 1.352 15.660 23.797 1.00 74.24 H new ATOM 0 HA THR A 73 1.678 16.455 21.046 1.00 54.34 H new ATOM 0 HB THR A 73 3.538 14.435 22.087 1.00 72.33 H new ATOM 0 HG1 THR A 73 4.405 15.870 23.724 1.00 65.11 H new ATOM 0 HG21 THR A 73 5.198 16.158 21.487 1.00 72.33 H new ATOM 0 HG22 THR A 73 4.027 15.888 20.174 1.00 72.33 H new ATOM 0 HG23 THR A 73 3.882 17.325 21.214 1.00 72.33 H new ATOM 1121 N VAL A 74 1.320 14.340 19.743 1.00 60.31 N ATOM 1122 CA VAL A 74 0.907 13.169 18.978 1.00 31.04 C ATOM 1123 C VAL A 74 1.773 12.989 17.737 1.00 4.40 C ATOM 1124 O VAL A 74 2.594 13.847 17.411 1.00 45.11 O ATOM 1125 CB VAL A 74 -0.569 13.270 18.550 1.00 12.53 C ATOM 1126 CG1 VAL A 74 -1.453 13.578 19.749 1.00 31.04 C ATOM 1127 CG2 VAL A 74 -0.738 14.326 17.468 1.00 13.12 C ATOM 0 H VAL A 74 1.595 15.140 19.173 1.00 60.31 H new ATOM 0 HA VAL A 74 1.030 12.305 19.631 1.00 31.04 H new ATOM 0 HB VAL A 74 -0.877 12.308 18.139 1.00 12.53 H new ATOM 0 HG11 VAL A 74 -2.492 13.646 19.427 1.00 31.04 H new ATOM 0 HG12 VAL A 74 -1.353 12.783 20.488 1.00 31.04 H new ATOM 0 HG13 VAL A 74 -1.148 14.526 20.192 1.00 31.04 H new ATOM 0 HG21 VAL A 74 -1.787 14.384 17.177 1.00 13.12 H new ATOM 0 HG22 VAL A 74 -0.413 15.294 17.850 1.00 13.12 H new ATOM 0 HG23 VAL A 74 -0.135 14.058 16.600 1.00 13.12 H new ATOM 1137 N TYR A 75 1.585 11.870 17.048 1.00 71.32 N ATOM 1138 CA TYR A 75 2.351 11.576 15.842 1.00 31.04 C ATOM 1139 C TYR A 75 1.429 11.404 14.639 1.00 33.44 C ATOM 1140 O TYR A 75 0.392 10.744 14.726 1.00 64.00 O ATOM 1141 CB TYR A 75 3.190 10.312 16.041 1.00 12.42 C ATOM 1142 CG TYR A 75 4.246 10.449 17.115 1.00 51.45 C ATOM 1143 CD1 TYR A 75 5.259 11.394 17.003 1.00 62.31 C ATOM 1144 CD2 TYR A 75 4.231 9.634 18.239 1.00 3.35 C ATOM 1145 CE1 TYR A 75 6.227 11.522 17.981 1.00 53.14 C ATOM 1146 CE2 TYR A 75 5.194 9.757 19.223 1.00 72.42 C ATOM 1147 CZ TYR A 75 6.189 10.702 19.089 1.00 64.32 C ATOM 1148 OH TYR A 75 7.151 10.826 20.065 1.00 31.24 O ATOM 0 H TYR A 75 0.909 11.151 17.303 1.00 71.32 H new ATOM 0 HA TYR A 75 3.015 12.419 15.650 1.00 31.04 H new ATOM 0 HB2 TYR A 75 2.529 9.484 16.297 1.00 12.42 H new ATOM 0 HB3 TYR A 75 3.673 10.055 15.099 1.00 12.42 H new ATOM 0 HD1 TYR A 75 5.290 12.039 16.137 1.00 62.31 H new ATOM 0 HD2 TYR A 75 3.454 8.892 18.346 1.00 3.35 H new ATOM 0 HE1 TYR A 75 7.009 12.260 17.878 1.00 53.14 H new ATOM 0 HE2 TYR A 75 5.167 9.116 20.092 1.00 72.42 H new ATOM 0 HH TYR A 75 6.896 11.539 20.687 1.00 31.24 H new ATOM 1158 N HIS A 76 1.814 12.001 13.516 1.00 11.43 N ATOM 1159 CA HIS A 76 1.023 11.914 12.294 1.00 63.13 C ATOM 1160 C HIS A 76 1.542 10.800 11.390 1.00 63.23 C ATOM 1161 O HIS A 76 0.945 10.496 10.356 1.00 23.03 O ATOM 1162 CB HIS A 76 1.051 13.248 11.547 1.00 64.45 C ATOM 1163 CG HIS A 76 2.387 13.573 10.952 1.00 71.24 C ATOM 1164 ND1 HIS A 76 2.559 14.513 9.958 1.00 4.31 N ATOM 1165 CD2 HIS A 76 3.618 13.078 11.217 1.00 65.21 C ATOM 1166 CE1 HIS A 76 3.839 14.581 9.637 1.00 51.44 C ATOM 1167 NE2 HIS A 76 4.503 13.721 10.386 1.00 23.44 N ATOM 0 H HIS A 76 2.669 12.550 13.427 1.00 11.43 H new ATOM 0 HA HIS A 76 -0.006 11.684 12.571 1.00 63.13 H new ATOM 0 HB2 HIS A 76 0.304 13.226 10.753 1.00 64.45 H new ATOM 0 HB3 HIS A 76 0.764 14.045 12.233 1.00 64.45 H new ATOM 0 HD2 HIS A 76 3.860 12.319 11.946 1.00 65.21 H new ATOM 0 HE1 HIS A 76 4.269 15.230 8.889 1.00 51.44 H new ATOM 0 HE2 HIS A 76 5.510 13.560 10.353 1.00 23.44 H new ATOM 1175 N HIS A 77 2.658 10.195 11.785 1.00 31.31 N ATOM 1176 CA HIS A 77 3.257 9.114 11.010 1.00 4.12 C ATOM 1177 C HIS A 77 4.486 8.553 11.720 1.00 35.25 C ATOM 1178 O HIS A 77 4.525 7.375 12.073 1.00 32.33 O ATOM 1179 CB HIS A 77 3.642 9.611 9.616 1.00 24.43 C ATOM 1180 CG HIS A 77 4.468 8.632 8.839 1.00 51.21 C ATOM 1181 ND1 HIS A 77 3.954 7.851 7.825 1.00 14.43 N ATOM 1182 CD2 HIS A 77 5.780 8.311 8.930 1.00 13.22 C ATOM 1183 CE1 HIS A 77 4.913 7.091 7.328 1.00 52.40 C ATOM 1184 NE2 HIS A 77 6.031 7.351 7.981 1.00 42.52 N ATOM 0 H HIS A 77 3.165 10.435 12.637 1.00 31.31 H new ATOM 0 HA HIS A 77 2.520 8.317 10.913 1.00 4.12 H new ATOM 0 HB2 HIS A 77 2.734 9.834 9.055 1.00 24.43 H new ATOM 0 HB3 HIS A 77 4.195 10.545 9.712 1.00 24.43 H new ATOM 0 HD1 HIS A 77 2.984 7.859 7.508 1.00 14.43 H new ATOM 0 HD2 HIS A 77 6.496 8.732 9.621 1.00 13.22 H new ATOM 0 HE1 HIS A 77 4.802 6.378 6.524 1.00 52.40 H new ATOM 1192 N GLU A 78 5.486 9.404 11.926 1.00 55.45 N ATOM 1193 CA GLU A 78 6.715 8.992 12.592 1.00 30.41 C ATOM 1194 C GLU A 78 6.522 8.939 14.105 1.00 64.10 C ATOM 1195 O GLU A 78 6.199 9.945 14.735 1.00 11.05 O ATOM 1196 CB GLU A 78 7.856 9.950 12.245 1.00 10.33 C ATOM 1197 CG GLU A 78 7.521 11.411 12.495 1.00 54.25 C ATOM 1198 CD GLU A 78 8.560 12.111 13.348 1.00 2.01 C ATOM 1199 OE1 GLU A 78 9.753 12.077 12.979 1.00 55.02 O ATOM 1200 OE2 GLU A 78 8.181 12.693 14.386 1.00 54.22 O ATOM 0 H GLU A 78 5.469 10.383 11.641 1.00 55.45 H new ATOM 0 HA GLU A 78 6.971 7.993 12.240 1.00 30.41 H new ATOM 0 HB2 GLU A 78 8.735 9.682 12.831 1.00 10.33 H new ATOM 0 HB3 GLU A 78 8.121 9.821 11.196 1.00 10.33 H new ATOM 0 HG2 GLU A 78 7.433 11.928 11.540 1.00 54.25 H new ATOM 0 HG3 GLU A 78 6.549 11.478 12.985 1.00 54.25 H new ATOM 1207 N ALA A 79 6.723 7.758 14.680 1.00 22.13 N ATOM 1208 CA ALA A 79 6.573 7.573 16.118 1.00 3.34 C ATOM 1209 C ALA A 79 7.559 6.536 16.644 1.00 5.05 C ATOM 1210 O ALA A 79 7.281 5.338 16.627 1.00 33.53 O ATOM 1211 CB ALA A 79 5.146 7.165 16.452 1.00 22.41 C ATOM 0 H ALA A 79 6.990 6.915 14.172 1.00 22.13 H new ATOM 0 HA ALA A 79 6.791 8.523 16.606 1.00 3.34 H new ATOM 0 HB1 ALA A 79 5.049 7.030 17.529 1.00 22.41 H new ATOM 0 HB2 ALA A 79 4.458 7.943 16.120 1.00 22.41 H new ATOM 0 HB3 ALA A 79 4.907 6.229 15.946 1.00 22.41 H new ATOM 1217 N GLN A 80 8.712 7.005 17.110 1.00 4.24 N ATOM 1218 CA GLN A 80 9.740 6.117 17.640 1.00 61.42 C ATOM 1219 C GLN A 80 10.022 6.424 19.107 1.00 64.12 C ATOM 1220 O GLN A 80 9.920 7.571 19.543 1.00 70.35 O ATOM 1221 CB GLN A 80 11.027 6.246 16.823 1.00 53.43 C ATOM 1222 CG GLN A 80 12.235 5.605 17.485 1.00 4.20 C ATOM 1223 CD GLN A 80 13.505 5.778 16.675 1.00 1.30 C ATOM 1224 OE1 GLN A 80 13.556 6.583 15.744 1.00 25.41 O ATOM 1225 NE2 GLN A 80 14.539 5.023 17.026 1.00 61.42 N ATOM 0 H GLN A 80 8.958 7.995 17.131 1.00 4.24 H new ATOM 0 HA GLN A 80 9.373 5.093 17.566 1.00 61.42 H new ATOM 0 HB2 GLN A 80 10.874 5.789 15.845 1.00 53.43 H new ATOM 0 HB3 GLN A 80 11.235 7.302 16.652 1.00 53.43 H new ATOM 0 HG2 GLN A 80 12.377 6.041 18.474 1.00 4.20 H new ATOM 0 HG3 GLN A 80 12.043 4.542 17.630 1.00 4.20 H new ATOM 0 HE21 GLN A 80 14.452 4.369 17.804 1.00 61.42 H new ATOM 0 HE22 GLN A 80 15.420 5.097 16.518 1.00 61.42 H new ATOM 1234 N VAL A 81 10.378 5.391 19.865 1.00 51.42 N ATOM 1235 CA VAL A 81 10.676 5.551 21.283 1.00 35.12 C ATOM 1236 C VAL A 81 11.949 4.805 21.665 1.00 71.52 C ATOM 1237 O VAL A 81 12.199 3.699 21.186 1.00 25.13 O ATOM 1238 CB VAL A 81 9.515 5.046 22.161 1.00 72.54 C ATOM 1239 CG1 VAL A 81 9.743 5.422 23.617 1.00 72.14 C ATOM 1240 CG2 VAL A 81 8.189 5.598 21.660 1.00 41.43 C ATOM 0 H VAL A 81 10.467 4.435 19.520 1.00 51.42 H new ATOM 0 HA VAL A 81 10.817 6.618 21.458 1.00 35.12 H new ATOM 0 HB VAL A 81 9.478 3.959 22.094 1.00 72.54 H new ATOM 0 HG11 VAL A 81 8.913 5.057 24.221 1.00 72.14 H new ATOM 0 HG12 VAL A 81 10.672 4.973 23.968 1.00 72.14 H new ATOM 0 HG13 VAL A 81 9.808 6.506 23.707 1.00 72.14 H new ATOM 0 HG21 VAL A 81 7.380 5.231 22.292 1.00 41.43 H new ATOM 0 HG22 VAL A 81 8.212 6.687 21.695 1.00 41.43 H new ATOM 0 HG23 VAL A 81 8.024 5.272 20.633 1.00 41.43 H new ATOM 1250 N ALA A 82 12.750 5.417 22.530 1.00 22.14 N ATOM 1251 CA ALA A 82 13.997 4.809 22.979 1.00 40.42 C ATOM 1252 C ALA A 82 13.858 4.247 24.389 1.00 14.24 C ATOM 1253 O ALA A 82 13.395 4.935 25.300 1.00 51.03 O ATOM 1254 CB ALA A 82 15.129 5.825 22.923 1.00 71.44 C ATOM 0 H ALA A 82 12.558 6.334 22.934 1.00 22.14 H new ATOM 0 HA ALA A 82 14.231 3.982 22.309 1.00 40.42 H new ATOM 0 HB1 ALA A 82 16.054 5.358 23.261 1.00 71.44 H new ATOM 0 HB2 ALA A 82 15.253 6.176 21.898 1.00 71.44 H new ATOM 0 HB3 ALA A 82 14.892 6.670 23.570 1.00 71.44 H new ATOM 1260 N PHE A 83 14.260 2.993 24.564 1.00 71.32 N ATOM 1261 CA PHE A 83 14.178 2.337 25.864 1.00 2.50 C ATOM 1262 C PHE A 83 15.571 2.028 26.406 1.00 52.13 C ATOM 1263 O PHE A 83 16.091 0.922 26.256 1.00 2.42 O ATOM 1264 CB PHE A 83 13.362 1.048 25.758 1.00 33.24 C ATOM 1265 CG PHE A 83 12.039 1.230 25.070 1.00 1.34 C ATOM 1266 CD1 PHE A 83 11.210 2.289 25.404 1.00 11.12 C ATOM 1267 CD2 PHE A 83 11.625 0.344 24.090 1.00 61.54 C ATOM 1268 CE1 PHE A 83 9.992 2.459 24.773 1.00 21.21 C ATOM 1269 CE2 PHE A 83 10.408 0.508 23.455 1.00 44.42 C ATOM 1270 CZ PHE A 83 9.591 1.568 23.796 1.00 4.14 C ATOM 0 H PHE A 83 14.646 2.410 23.821 1.00 71.32 H new ATOM 0 HA PHE A 83 13.681 3.017 26.556 1.00 2.50 H new ATOM 0 HB2 PHE A 83 13.944 0.302 25.217 1.00 33.24 H new ATOM 0 HB3 PHE A 83 13.190 0.653 26.759 1.00 33.24 H new ATOM 0 HD1 PHE A 83 11.519 2.989 26.166 1.00 11.12 H new ATOM 0 HD2 PHE A 83 12.261 -0.486 23.818 1.00 61.54 H new ATOM 0 HE1 PHE A 83 9.354 3.288 25.043 1.00 21.21 H new ATOM 0 HE2 PHE A 83 10.097 -0.192 22.693 1.00 44.42 H new ATOM 0 HZ PHE A 83 8.641 1.700 23.300 1.00 4.14 H new ATOM 1280 N PRO A 84 16.190 3.028 27.050 1.00 0.31 N ATOM 1281 CA PRO A 84 17.530 2.888 27.627 1.00 3.32 C ATOM 1282 C PRO A 84 17.545 1.966 28.841 1.00 21.14 C ATOM 1283 O PRO A 84 16.816 2.186 29.809 1.00 23.20 O ATOM 1284 CB PRO A 84 17.891 4.318 28.037 1.00 10.25 C ATOM 1285 CG PRO A 84 16.580 4.993 28.252 1.00 61.05 C ATOM 1286 CD PRO A 84 15.629 4.373 27.265 1.00 23.24 C ATOM 0 HA PRO A 84 18.232 2.442 26.923 1.00 3.32 H new ATOM 0 HB2 PRO A 84 18.495 4.329 28.944 1.00 10.25 H new ATOM 0 HB3 PRO A 84 18.471 4.818 27.261 1.00 10.25 H new ATOM 0 HG2 PRO A 84 16.230 4.850 29.274 1.00 61.05 H new ATOM 0 HG3 PRO A 84 16.663 6.068 28.092 1.00 61.05 H new ATOM 0 HD2 PRO A 84 14.614 4.327 27.660 1.00 23.24 H new ATOM 0 HD3 PRO A 84 15.585 4.943 26.337 1.00 23.24 H new ATOM 1294 N TYR A 85 18.379 0.934 28.784 1.00 23.21 N ATOM 1295 CA TYR A 85 18.487 -0.023 29.879 1.00 63.33 C ATOM 1296 C TYR A 85 18.874 0.677 31.178 1.00 32.41 C ATOM 1297 O TYR A 85 19.363 1.806 31.166 1.00 34.23 O ATOM 1298 CB TYR A 85 19.518 -1.102 29.541 1.00 2.22 C ATOM 1299 CG TYR A 85 19.149 -1.936 28.335 1.00 2.22 C ATOM 1300 CD1 TYR A 85 17.824 -2.254 28.065 1.00 41.55 C ATOM 1301 CD2 TYR A 85 20.126 -2.405 27.466 1.00 62.33 C ATOM 1302 CE1 TYR A 85 17.483 -3.016 26.964 1.00 13.13 C ATOM 1303 CE2 TYR A 85 19.794 -3.167 26.362 1.00 31.12 C ATOM 1304 CZ TYR A 85 18.471 -3.470 26.116 1.00 20.10 C ATOM 1305 OH TYR A 85 18.135 -4.229 25.018 1.00 11.42 O ATOM 0 H TYR A 85 18.990 0.739 27.991 1.00 23.21 H new ATOM 0 HA TYR A 85 17.512 -0.491 30.016 1.00 63.33 H new ATOM 0 HB2 TYR A 85 20.483 -0.627 29.362 1.00 2.22 H new ATOM 0 HB3 TYR A 85 19.640 -1.758 30.403 1.00 2.22 H new ATOM 0 HD1 TYR A 85 17.047 -1.900 28.727 1.00 41.55 H new ATOM 0 HD2 TYR A 85 21.163 -2.170 27.656 1.00 62.33 H new ATOM 0 HE1 TYR A 85 16.448 -3.255 26.769 1.00 13.13 H new ATOM 0 HE2 TYR A 85 20.566 -3.523 25.696 1.00 31.12 H new ATOM 0 HH TYR A 85 17.886 -5.131 25.308 1.00 11.42 H new ATOM 1315 N ALA A 86 18.651 -0.004 32.298 1.00 50.22 N ATOM 1316 CA ALA A 86 18.978 0.550 33.606 1.00 74.10 C ATOM 1317 C ALA A 86 19.851 -0.411 34.406 1.00 13.42 C ATOM 1318 O ALA A 86 20.839 -0.005 35.019 1.00 53.33 O ATOM 1319 CB ALA A 86 17.705 0.874 34.374 1.00 1.44 C ATOM 0 H ALA A 86 18.245 -0.940 32.325 1.00 50.22 H new ATOM 0 HA ALA A 86 19.542 1.470 33.454 1.00 74.10 H new ATOM 0 HB1 ALA A 86 17.963 1.287 35.349 1.00 1.44 H new ATOM 0 HB2 ALA A 86 17.118 1.603 33.815 1.00 1.44 H new ATOM 0 HB3 ALA A 86 17.120 -0.036 34.509 1.00 1.44 H new ATOM 1325 N LYS A 87 19.480 -1.686 34.398 1.00 70.52 N ATOM 1326 CA LYS A 87 20.229 -2.706 35.122 1.00 21.24 C ATOM 1327 C LYS A 87 20.831 -3.726 34.160 1.00 15.24 C ATOM 1328 O LYS A 87 20.181 -4.151 33.206 1.00 53.12 O ATOM 1329 CB LYS A 87 19.322 -3.414 36.131 1.00 20.32 C ATOM 1330 CG LYS A 87 19.215 -2.693 37.464 1.00 62.41 C ATOM 1331 CD LYS A 87 18.918 -3.660 38.598 1.00 2.43 C ATOM 1332 CE LYS A 87 20.186 -4.056 39.339 1.00 61.31 C ATOM 1333 NZ LYS A 87 20.420 -3.202 40.536 1.00 51.43 N ATOM 0 H LYS A 87 18.664 -2.038 33.898 1.00 70.52 H new ATOM 0 HA LYS A 87 21.042 -2.213 35.656 1.00 21.24 H new ATOM 0 HB2 LYS A 87 18.325 -3.516 35.702 1.00 20.32 H new ATOM 0 HB3 LYS A 87 19.700 -4.422 36.302 1.00 20.32 H new ATOM 0 HG2 LYS A 87 20.146 -2.165 37.669 1.00 62.41 H new ATOM 0 HG3 LYS A 87 18.428 -1.941 37.410 1.00 62.41 H new ATOM 0 HD2 LYS A 87 18.216 -3.201 39.295 1.00 2.43 H new ATOM 0 HD3 LYS A 87 18.434 -4.552 38.200 1.00 2.43 H new ATOM 0 HE2 LYS A 87 20.116 -5.100 39.646 1.00 61.31 H new ATOM 0 HE3 LYS A 87 21.039 -3.978 38.665 1.00 61.31 H new ATOM 0 HZ1 LYS A 87 21.293 -3.504 41.013 1.00 51.43 H new ATOM 0 HZ2 LYS A 87 20.512 -2.209 40.241 1.00 51.43 H new ATOM 0 HZ3 LYS A 87 19.618 -3.295 41.191 1.00 51.43 H new ATOM 1347 N ALA A 88 22.075 -4.115 34.420 1.00 54.15 N ATOM 1348 CA ALA A 88 22.762 -5.087 33.579 1.00 73.24 C ATOM 1349 C ALA A 88 22.152 -6.476 33.735 1.00 61.21 C ATOM 1350 O ALA A 88 21.871 -6.920 34.848 1.00 33.12 O ATOM 1351 CB ALA A 88 24.246 -5.119 33.913 1.00 34.33 C ATOM 0 H ALA A 88 22.627 -3.772 35.206 1.00 54.15 H new ATOM 0 HA ALA A 88 22.642 -4.781 32.540 1.00 73.24 H new ATOM 0 HB1 ALA A 88 24.746 -5.849 33.277 1.00 34.33 H new ATOM 0 HB2 ALA A 88 24.679 -4.133 33.743 1.00 34.33 H new ATOM 0 HB3 ALA A 88 24.378 -5.398 34.959 1.00 34.33 H new ATOM 1357 N VAL A 89 21.949 -7.158 32.612 1.00 24.42 N ATOM 1358 CA VAL A 89 21.373 -8.498 32.625 1.00 43.33 C ATOM 1359 C VAL A 89 21.698 -9.248 31.338 1.00 40.32 C ATOM 1360 O VAL A 89 21.474 -8.742 30.239 1.00 63.02 O ATOM 1361 CB VAL A 89 19.844 -8.449 32.806 1.00 65.31 C ATOM 1362 CG1 VAL A 89 19.482 -8.430 34.283 1.00 21.11 C ATOM 1363 CG2 VAL A 89 19.262 -7.240 32.090 1.00 75.43 C ATOM 0 H VAL A 89 22.175 -6.805 31.682 1.00 24.42 H new ATOM 0 HA VAL A 89 21.815 -9.025 33.471 1.00 43.33 H new ATOM 0 HB VAL A 89 19.413 -9.347 32.363 1.00 65.31 H new ATOM 0 HG11 VAL A 89 18.398 -8.395 34.392 1.00 21.11 H new ATOM 0 HG12 VAL A 89 19.866 -9.330 34.763 1.00 21.11 H new ATOM 0 HG13 VAL A 89 19.922 -7.551 34.754 1.00 21.11 H new ATOM 0 HG21 VAL A 89 18.181 -7.221 32.228 1.00 75.43 H new ATOM 0 HG22 VAL A 89 19.697 -6.329 32.502 1.00 75.43 H new ATOM 0 HG23 VAL A 89 19.491 -7.302 31.026 1.00 75.43 H new ATOM 1373 N GLY A 90 22.227 -10.459 31.482 1.00 3.14 N ATOM 1374 CA GLY A 90 22.574 -11.260 30.323 1.00 24.12 C ATOM 1375 C GLY A 90 21.450 -12.185 29.900 1.00 25.13 C ATOM 1376 O GLY A 90 21.631 -13.031 29.025 1.00 51.53 O ATOM 0 H GLY A 90 22.421 -10.900 32.381 1.00 3.14 H new ATOM 0 HA2 GLY A 90 22.830 -10.601 29.493 1.00 24.12 H new ATOM 0 HA3 GLY A 90 23.462 -11.851 30.546 1.00 24.12 H new ATOM 1380 N GLU A 91 20.288 -12.026 30.525 1.00 51.51 N ATOM 1381 CA GLU A 91 19.132 -12.856 30.209 1.00 14.12 C ATOM 1382 C GLU A 91 18.177 -12.125 29.269 1.00 1.14 C ATOM 1383 O GLU A 91 18.270 -10.914 29.068 1.00 44.13 O ATOM 1384 CB GLU A 91 18.397 -13.255 31.491 1.00 50.22 C ATOM 1385 CG GLU A 91 18.703 -14.670 31.953 1.00 44.52 C ATOM 1386 CD GLU A 91 17.723 -15.168 32.996 1.00 15.34 C ATOM 1387 OE1 GLU A 91 17.049 -14.326 33.626 1.00 1.55 O ATOM 1388 OE2 GLU A 91 17.628 -16.399 33.183 1.00 5.32 O ATOM 0 H GLU A 91 20.122 -11.331 31.253 1.00 51.51 H new ATOM 0 HA GLU A 91 19.489 -13.756 29.708 1.00 14.12 H new ATOM 0 HB2 GLU A 91 18.663 -12.557 32.285 1.00 50.22 H new ATOM 0 HB3 GLU A 91 17.323 -13.159 31.329 1.00 50.22 H new ATOM 0 HG2 GLU A 91 18.685 -15.340 31.094 1.00 44.52 H new ATOM 0 HG3 GLU A 91 19.712 -14.704 32.363 1.00 44.52 H new ATOM 1395 N PRO A 92 17.236 -12.877 28.679 1.00 24.34 N ATOM 1396 CA PRO A 92 16.246 -12.323 27.751 1.00 4.02 C ATOM 1397 C PRO A 92 15.230 -11.429 28.453 1.00 21.05 C ATOM 1398 O PRO A 92 14.880 -11.661 29.611 1.00 75.43 O ATOM 1399 CB PRO A 92 15.560 -13.566 27.180 1.00 24.51 C ATOM 1400 CG PRO A 92 15.739 -14.612 28.226 1.00 5.02 C ATOM 1401 CD PRO A 92 17.066 -14.327 28.874 1.00 65.15 C ATOM 0 HA PRO A 92 16.707 -11.689 26.994 1.00 4.02 H new ATOM 0 HB2 PRO A 92 14.504 -13.380 26.983 1.00 24.51 H new ATOM 0 HB3 PRO A 92 16.012 -13.869 26.236 1.00 24.51 H new ATOM 0 HG2 PRO A 92 14.932 -14.575 28.957 1.00 5.02 H new ATOM 0 HG3 PRO A 92 15.725 -15.609 27.787 1.00 5.02 H new ATOM 0 HD2 PRO A 92 17.062 -14.593 29.931 1.00 65.15 H new ATOM 0 HD3 PRO A 92 17.872 -14.893 28.406 1.00 65.15 H new ATOM 1409 N TYR A 93 14.760 -10.407 27.747 1.00 63.11 N ATOM 1410 CA TYR A 93 13.785 -9.477 28.304 1.00 42.03 C ATOM 1411 C TYR A 93 12.478 -9.522 27.518 1.00 65.25 C ATOM 1412 O TYR A 93 12.453 -9.926 26.355 1.00 51.34 O ATOM 1413 CB TYR A 93 14.347 -8.054 28.300 1.00 35.11 C ATOM 1414 CG TYR A 93 15.746 -7.957 27.737 1.00 42.24 C ATOM 1415 CD1 TYR A 93 16.850 -8.321 28.498 1.00 51.22 C ATOM 1416 CD2 TYR A 93 15.965 -7.502 26.442 1.00 53.40 C ATOM 1417 CE1 TYR A 93 18.130 -8.233 27.987 1.00 4.31 C ATOM 1418 CE2 TYR A 93 17.242 -7.412 25.922 1.00 13.45 C ATOM 1419 CZ TYR A 93 18.321 -7.778 26.699 1.00 1.21 C ATOM 1420 OH TYR A 93 19.595 -7.690 26.186 1.00 0.12 O ATOM 0 H TYR A 93 15.038 -10.201 26.788 1.00 63.11 H new ATOM 0 HA TYR A 93 13.580 -9.777 29.332 1.00 42.03 H new ATOM 0 HB2 TYR A 93 13.685 -7.413 27.718 1.00 35.11 H new ATOM 0 HB3 TYR A 93 14.348 -7.670 29.320 1.00 35.11 H new ATOM 0 HD1 TYR A 93 16.705 -8.679 29.507 1.00 51.22 H new ATOM 0 HD2 TYR A 93 15.122 -7.214 25.831 1.00 53.40 H new ATOM 0 HE1 TYR A 93 18.977 -8.519 28.593 1.00 4.31 H new ATOM 0 HE2 TYR A 93 17.394 -7.057 24.913 1.00 13.45 H new ATOM 0 HH TYR A 93 19.555 -7.353 25.267 1.00 0.12 H new ATOM 1430 N LYS A 94 11.394 -9.104 28.161 1.00 32.32 N ATOM 1431 CA LYS A 94 10.082 -9.094 27.524 1.00 1.04 C ATOM 1432 C LYS A 94 9.691 -7.680 27.107 1.00 43.03 C ATOM 1433 O LYS A 94 9.832 -6.732 27.880 1.00 14.14 O ATOM 1434 CB LYS A 94 9.027 -9.667 28.474 1.00 41.34 C ATOM 1435 CG LYS A 94 7.917 -10.423 27.764 1.00 10.42 C ATOM 1436 CD LYS A 94 6.626 -9.622 27.738 1.00 33.11 C ATOM 1437 CE LYS A 94 5.660 -10.087 28.817 1.00 75.42 C ATOM 1438 NZ LYS A 94 4.994 -11.368 28.450 1.00 54.10 N ATOM 0 H LYS A 94 11.397 -8.767 29.124 1.00 32.32 H new ATOM 0 HA LYS A 94 10.134 -9.716 26.631 1.00 1.04 H new ATOM 0 HB2 LYS A 94 9.514 -10.335 29.184 1.00 41.34 H new ATOM 0 HB3 LYS A 94 8.589 -8.853 29.051 1.00 41.34 H new ATOM 0 HG2 LYS A 94 8.226 -10.651 26.744 1.00 10.42 H new ATOM 0 HG3 LYS A 94 7.745 -11.375 28.266 1.00 10.42 H new ATOM 0 HD2 LYS A 94 6.850 -8.565 27.879 1.00 33.11 H new ATOM 0 HD3 LYS A 94 6.155 -9.720 26.760 1.00 33.11 H new ATOM 0 HE2 LYS A 94 6.198 -10.213 29.756 1.00 75.42 H new ATOM 0 HE3 LYS A 94 4.904 -9.319 28.983 1.00 75.42 H new ATOM 0 HZ1 LYS A 94 4.331 -11.643 29.203 1.00 54.10 H new ATOM 0 HZ2 LYS A 94 4.474 -11.246 27.558 1.00 54.10 H new ATOM 0 HZ3 LYS A 94 5.712 -12.111 28.333 1.00 54.10 H new ATOM 1452 N LEU A 95 9.199 -7.545 25.880 1.00 24.21 N ATOM 1453 CA LEU A 95 8.786 -6.246 25.360 1.00 63.41 C ATOM 1454 C LEU A 95 7.266 -6.145 25.293 1.00 72.20 C ATOM 1455 O LEU A 95 6.577 -7.136 25.048 1.00 3.00 O ATOM 1456 CB LEU A 95 9.386 -6.017 23.971 1.00 13.14 C ATOM 1457 CG LEU A 95 9.408 -4.569 23.481 1.00 41.21 C ATOM 1458 CD1 LEU A 95 10.494 -4.377 22.433 1.00 12.24 C ATOM 1459 CD2 LEU A 95 8.049 -4.174 22.922 1.00 60.14 C ATOM 0 H LEU A 95 9.076 -8.319 25.227 1.00 24.21 H new ATOM 0 HA LEU A 95 9.153 -5.476 26.039 1.00 63.41 H new ATOM 0 HB2 LEU A 95 10.408 -6.395 23.972 1.00 13.14 H new ATOM 0 HB3 LEU A 95 8.826 -6.615 23.252 1.00 13.14 H new ATOM 0 HG LEU A 95 9.631 -3.922 24.329 1.00 41.21 H new ATOM 0 HD11 LEU A 95 10.495 -3.341 22.096 1.00 12.24 H new ATOM 0 HD12 LEU A 95 11.465 -4.618 22.866 1.00 12.24 H new ATOM 0 HD13 LEU A 95 10.302 -5.034 21.585 1.00 12.24 H new ATOM 0 HD21 LEU A 95 8.084 -3.140 22.578 1.00 60.14 H new ATOM 0 HD22 LEU A 95 7.796 -4.826 22.086 1.00 60.14 H new ATOM 0 HD23 LEU A 95 7.293 -4.272 23.701 1.00 60.14 H new ATOM 1471 N VAL A 96 6.748 -4.940 25.510 1.00 32.43 N ATOM 1472 CA VAL A 96 5.309 -4.709 25.471 1.00 11.44 C ATOM 1473 C VAL A 96 4.991 -3.316 24.939 1.00 71.04 C ATOM 1474 O VAL A 96 5.251 -2.311 25.602 1.00 74.11 O ATOM 1475 CB VAL A 96 4.677 -4.869 26.867 1.00 75.23 C ATOM 1476 CG1 VAL A 96 5.550 -4.217 27.927 1.00 10.43 C ATOM 1477 CG2 VAL A 96 3.273 -4.283 26.886 1.00 71.14 C ATOM 0 H VAL A 96 7.303 -4.109 25.715 1.00 32.43 H new ATOM 0 HA VAL A 96 4.886 -5.457 24.800 1.00 11.44 H new ATOM 0 HB VAL A 96 4.605 -5.933 27.094 1.00 75.23 H new ATOM 0 HG11 VAL A 96 5.087 -4.340 28.906 1.00 10.43 H new ATOM 0 HG12 VAL A 96 6.533 -4.688 27.929 1.00 10.43 H new ATOM 0 HG13 VAL A 96 5.657 -3.155 27.708 1.00 10.43 H new ATOM 0 HG21 VAL A 96 2.841 -4.405 27.880 1.00 71.14 H new ATOM 0 HG22 VAL A 96 3.318 -3.223 26.637 1.00 71.14 H new ATOM 0 HG23 VAL A 96 2.652 -4.801 26.155 1.00 71.14 H new ATOM 1487 N LEU A 97 4.427 -3.263 23.737 1.00 33.11 N ATOM 1488 CA LEU A 97 4.072 -1.993 23.114 1.00 52.32 C ATOM 1489 C LEU A 97 2.565 -1.895 22.896 1.00 22.13 C ATOM 1490 O LEU A 97 1.922 -2.861 22.484 1.00 10.00 O ATOM 1491 CB LEU A 97 4.803 -1.835 21.779 1.00 35.23 C ATOM 1492 CG LEU A 97 5.854 -0.727 21.717 1.00 43.03 C ATOM 1493 CD1 LEU A 97 7.052 -1.174 20.893 1.00 2.13 C ATOM 1494 CD2 LEU A 97 5.253 0.547 21.140 1.00 64.53 C ATOM 0 H LEU A 97 4.206 -4.085 23.175 1.00 33.11 H new ATOM 0 HA LEU A 97 4.376 -1.190 23.785 1.00 52.32 H new ATOM 0 HB2 LEU A 97 5.287 -2.781 21.538 1.00 35.23 H new ATOM 0 HB3 LEU A 97 4.062 -1.649 21.002 1.00 35.23 H new ATOM 0 HG LEU A 97 6.194 -0.517 22.731 1.00 43.03 H new ATOM 0 HD11 LEU A 97 7.790 -0.373 20.860 1.00 2.13 H new ATOM 0 HD12 LEU A 97 7.497 -2.059 21.348 1.00 2.13 H new ATOM 0 HD13 LEU A 97 6.728 -1.412 19.880 1.00 2.13 H new ATOM 0 HD21 LEU A 97 6.016 1.325 21.103 1.00 64.53 H new ATOM 0 HD22 LEU A 97 4.885 0.352 20.133 1.00 64.53 H new ATOM 0 HD23 LEU A 97 4.427 0.878 21.770 1.00 64.53 H new ATOM 1506 N THR A 98 2.007 -0.721 23.174 1.00 1.23 N ATOM 1507 CA THR A 98 0.577 -0.496 23.008 1.00 12.03 C ATOM 1508 C THR A 98 0.309 0.763 22.192 1.00 2.43 C ATOM 1509 O THR A 98 0.762 1.852 22.546 1.00 3.23 O ATOM 1510 CB THR A 98 -0.134 -0.373 24.369 1.00 12.12 C ATOM 1511 OG1 THR A 98 0.366 -1.364 25.274 1.00 15.54 O ATOM 1512 CG2 THR A 98 -1.638 -0.536 24.211 1.00 73.23 C ATOM 0 H THR A 98 2.524 0.089 23.515 1.00 1.23 H new ATOM 0 HA THR A 98 0.181 -1.361 22.476 1.00 12.03 H new ATOM 0 HB THR A 98 0.067 0.620 24.771 1.00 12.12 H new ATOM 0 HG1 THR A 98 -0.090 -1.278 26.137 1.00 15.54 H new ATOM 0 HG21 THR A 98 -2.118 -0.445 25.185 1.00 73.23 H new ATOM 0 HG22 THR A 98 -2.020 0.238 23.545 1.00 73.23 H new ATOM 0 HG23 THR A 98 -1.855 -1.517 23.789 1.00 73.23 H new ATOM 1520 N TYR A 99 -0.430 0.609 21.099 1.00 24.53 N ATOM 1521 CA TYR A 99 -0.756 1.734 20.232 1.00 72.03 C ATOM 1522 C TYR A 99 -2.239 2.081 20.325 1.00 42.42 C ATOM 1523 O TYR A 99 -3.095 1.198 20.319 1.00 74.22 O ATOM 1524 CB TYR A 99 -0.386 1.412 18.783 1.00 54.02 C ATOM 1525 CG TYR A 99 0.583 0.260 18.647 1.00 60.31 C ATOM 1526 CD1 TYR A 99 1.889 0.367 19.109 1.00 42.22 C ATOM 1527 CD2 TYR A 99 0.194 -0.936 18.056 1.00 15.11 C ATOM 1528 CE1 TYR A 99 2.779 -0.683 18.986 1.00 12.33 C ATOM 1529 CE2 TYR A 99 1.076 -1.991 17.931 1.00 72.42 C ATOM 1530 CZ TYR A 99 2.367 -1.860 18.397 1.00 2.11 C ATOM 1531 OH TYR A 99 3.250 -2.909 18.273 1.00 54.42 O ATOM 0 H TYR A 99 -0.815 -0.285 20.793 1.00 24.53 H new ATOM 0 HA TYR A 99 -0.178 2.596 20.565 1.00 72.03 H new ATOM 0 HB2 TYR A 99 -1.295 1.179 18.228 1.00 54.02 H new ATOM 0 HB3 TYR A 99 0.050 2.299 18.323 1.00 54.02 H new ATOM 0 HD1 TYR A 99 2.214 1.287 19.572 1.00 42.22 H new ATOM 0 HD2 TYR A 99 -0.816 -1.042 17.688 1.00 15.11 H new ATOM 0 HE1 TYR A 99 3.791 -0.582 19.349 1.00 12.33 H new ATOM 0 HE2 TYR A 99 0.756 -2.914 17.471 1.00 72.42 H new ATOM 0 HH TYR A 99 3.898 -2.880 19.008 1.00 54.42 H new ATOM 1541 N GLN A 100 -2.532 3.375 20.410 1.00 35.23 N ATOM 1542 CA GLN A 100 -3.911 3.840 20.505 1.00 72.01 C ATOM 1543 C GLN A 100 -4.041 5.267 19.982 1.00 34.21 C ATOM 1544 O GLN A 100 -3.354 6.174 20.448 1.00 11.52 O ATOM 1545 CB GLN A 100 -4.398 3.769 21.953 1.00 25.54 C ATOM 1546 CG GLN A 100 -5.738 4.449 22.179 1.00 3.55 C ATOM 1547 CD GLN A 100 -6.260 4.256 23.589 1.00 10.24 C ATOM 1548 OE1 GLN A 100 -5.687 3.504 24.378 1.00 11.24 O ATOM 1549 NE2 GLN A 100 -7.353 4.936 23.914 1.00 14.14 N ATOM 0 H GLN A 100 -1.834 4.119 20.415 1.00 35.23 H new ATOM 0 HA GLN A 100 -4.530 3.188 19.889 1.00 72.01 H new ATOM 0 HB2 GLN A 100 -4.476 2.723 22.250 1.00 25.54 H new ATOM 0 HB3 GLN A 100 -3.652 4.230 22.601 1.00 25.54 H new ATOM 0 HG2 GLN A 100 -5.639 5.515 21.975 1.00 3.55 H new ATOM 0 HG3 GLN A 100 -6.465 4.055 21.469 1.00 3.55 H new ATOM 0 HE21 GLN A 100 -7.795 5.548 23.229 1.00 14.14 H new ATOM 0 HE22 GLN A 100 -7.750 4.846 24.849 1.00 14.14 H new ATOM 1558 N GLY A 101 -4.928 5.457 19.010 1.00 54.20 N ATOM 1559 CA GLY A 101 -5.132 6.776 18.439 1.00 21.04 C ATOM 1560 C GLY A 101 -6.438 6.883 17.677 1.00 22.42 C ATOM 1561 O GLY A 101 -7.379 6.132 17.936 1.00 3.33 O ATOM 0 H GLY A 101 -5.509 4.721 18.608 1.00 54.20 H new ATOM 0 HA2 GLY A 101 -5.118 7.519 19.236 1.00 21.04 H new ATOM 0 HA3 GLY A 101 -4.304 7.011 17.770 1.00 21.04 H new ATOM 1565 N SER A 102 -6.497 7.819 16.735 1.00 22.34 N ATOM 1566 CA SER A 102 -7.699 8.025 15.937 1.00 73.23 C ATOM 1567 C SER A 102 -7.341 8.425 14.509 1.00 51.51 C ATOM 1568 O SER A 102 -6.185 8.718 14.206 1.00 23.22 O ATOM 1569 CB SER A 102 -8.582 9.100 16.574 1.00 71.32 C ATOM 1570 OG SER A 102 -9.735 8.527 17.167 1.00 42.31 O ATOM 0 H SER A 102 -5.726 8.446 16.506 1.00 22.34 H new ATOM 0 HA SER A 102 -8.250 7.085 15.905 1.00 73.23 H new ATOM 0 HB2 SER A 102 -8.013 9.643 17.329 1.00 71.32 H new ATOM 0 HB3 SER A 102 -8.881 9.825 15.817 1.00 71.32 H new ATOM 0 HG SER A 102 -10.444 8.449 16.495 1.00 42.31 H new ATOM 1576 N ALA A 103 -8.342 8.436 13.635 1.00 15.22 N ATOM 1577 CA ALA A 103 -8.135 8.802 12.240 1.00 42.43 C ATOM 1578 C ALA A 103 -8.361 10.295 12.024 1.00 11.03 C ATOM 1579 O ALA A 103 -9.293 10.877 12.579 1.00 23.31 O ATOM 1580 CB ALA A 103 -9.055 7.992 11.339 1.00 62.22 C ATOM 0 H ALA A 103 -9.305 8.195 13.869 1.00 15.22 H new ATOM 0 HA ALA A 103 -7.100 8.576 11.982 1.00 42.43 H new ATOM 0 HB1 ALA A 103 -8.889 8.276 10.300 1.00 62.22 H new ATOM 0 HB2 ALA A 103 -8.843 6.930 11.463 1.00 62.22 H new ATOM 0 HB3 ALA A 103 -10.093 8.189 11.608 1.00 62.22 H new ATOM 1586 N GLU A 104 -7.502 10.909 11.216 1.00 73.50 N ATOM 1587 CA GLU A 104 -7.609 12.334 10.930 1.00 40.43 C ATOM 1588 C GLU A 104 -8.986 12.675 10.367 1.00 62.34 C ATOM 1589 O GLU A 104 -9.435 13.818 10.444 1.00 24.14 O ATOM 1590 CB GLU A 104 -6.522 12.761 9.941 1.00 2.42 C ATOM 1591 CG GLU A 104 -5.587 13.827 10.488 1.00 42.12 C ATOM 1592 CD GLU A 104 -5.107 14.787 9.417 1.00 51.33 C ATOM 1593 OE1 GLU A 104 -4.797 14.324 8.299 1.00 15.13 O ATOM 1594 OE2 GLU A 104 -5.042 16.003 9.697 1.00 64.33 O ATOM 0 H GLU A 104 -6.725 10.442 10.749 1.00 73.50 H new ATOM 0 HA GLU A 104 -7.474 12.877 11.865 1.00 40.43 H new ATOM 0 HB2 GLU A 104 -5.936 11.886 9.658 1.00 2.42 H new ATOM 0 HB3 GLU A 104 -6.995 13.136 9.033 1.00 2.42 H new ATOM 0 HG2 GLU A 104 -6.099 14.388 11.270 1.00 42.12 H new ATOM 0 HG3 GLU A 104 -4.726 13.346 10.952 1.00 42.12 H new ATOM 1601 N ALA A 105 -9.650 11.674 9.799 1.00 74.40 N ATOM 1602 CA ALA A 105 -10.976 11.865 9.224 1.00 10.50 C ATOM 1603 C ALA A 105 -12.034 11.995 10.315 1.00 70.34 C ATOM 1604 O ALA A 105 -13.054 12.656 10.128 1.00 74.01 O ATOM 1605 CB ALA A 105 -11.317 10.715 8.289 1.00 72.03 C ATOM 0 H ALA A 105 -9.291 10.722 9.725 1.00 74.40 H new ATOM 0 HA ALA A 105 -10.966 12.793 8.652 1.00 10.50 H new ATOM 0 HB1 ALA A 105 -12.310 10.871 7.867 1.00 72.03 H new ATOM 0 HB2 ALA A 105 -10.583 10.671 7.484 1.00 72.03 H new ATOM 0 HB3 ALA A 105 -11.302 9.778 8.845 1.00 72.03 H new ATOM 1611 N GLY A 106 -11.784 11.357 11.454 1.00 5.45 N ATOM 1612 CA GLY A 106 -12.725 11.413 12.558 1.00 45.22 C ATOM 1613 C GLY A 106 -13.202 10.039 12.982 1.00 34.24 C ATOM 1614 O GLY A 106 -14.394 9.831 13.213 1.00 42.42 O ATOM 0 H GLY A 106 -10.947 10.802 11.632 1.00 5.45 H new ATOM 0 HA2 GLY A 106 -12.255 11.909 13.407 1.00 45.22 H new ATOM 0 HA3 GLY A 106 -13.584 12.019 12.269 1.00 45.22 H new ATOM 1618 N VAL A 107 -12.271 9.096 13.085 1.00 72.43 N ATOM 1619 CA VAL A 107 -12.604 7.733 13.484 1.00 44.32 C ATOM 1620 C VAL A 107 -11.827 7.320 14.729 1.00 44.23 C ATOM 1621 O VAL A 107 -10.661 7.683 14.894 1.00 32.32 O ATOM 1622 CB VAL A 107 -12.311 6.730 12.353 1.00 64.23 C ATOM 1623 CG1 VAL A 107 -12.500 5.302 12.843 1.00 54.35 C ATOM 1624 CG2 VAL A 107 -13.197 7.011 11.149 1.00 44.24 C ATOM 0 H VAL A 107 -11.280 9.251 12.898 1.00 72.43 H new ATOM 0 HA VAL A 107 -13.671 7.719 13.704 1.00 44.32 H new ATOM 0 HB VAL A 107 -11.272 6.849 12.046 1.00 64.23 H new ATOM 0 HG11 VAL A 107 -12.289 4.607 12.030 1.00 54.35 H new ATOM 0 HG12 VAL A 107 -11.819 5.109 13.672 1.00 54.35 H new ATOM 0 HG13 VAL A 107 -13.528 5.166 13.179 1.00 54.35 H new ATOM 0 HG21 VAL A 107 -12.976 6.293 10.359 1.00 44.24 H new ATOM 0 HG22 VAL A 107 -14.244 6.921 11.439 1.00 44.24 H new ATOM 0 HG23 VAL A 107 -13.006 8.021 10.785 1.00 44.24 H new ATOM 1634 N CYS A 108 -12.479 6.560 15.601 1.00 22.10 N ATOM 1635 CA CYS A 108 -11.849 6.097 16.833 1.00 70.14 C ATOM 1636 C CYS A 108 -11.816 4.573 16.887 1.00 72.02 C ATOM 1637 O CYS A 108 -12.855 3.917 16.813 1.00 73.51 O ATOM 1638 CB CYS A 108 -12.595 6.647 18.049 1.00 21.32 C ATOM 1639 SG CYS A 108 -14.379 6.357 18.014 1.00 13.21 S ATOM 0 H CYS A 108 -13.443 6.251 15.478 1.00 22.10 H new ATOM 0 HA CYS A 108 -10.823 6.465 16.849 1.00 70.14 H new ATOM 0 HB2 CYS A 108 -12.182 6.195 18.950 1.00 21.32 H new ATOM 0 HB3 CYS A 108 -12.413 7.720 18.119 1.00 21.32 H new ATOM 0 HG CYS A 108 -14.618 5.183 17.510 1.00 13.21 H new ATOM 1645 N TYR A 109 -10.617 4.017 17.015 1.00 61.43 N ATOM 1646 CA TYR A 109 -10.448 2.570 17.074 1.00 30.45 C ATOM 1647 C TYR A 109 -9.911 2.140 18.436 1.00 25.40 C ATOM 1648 O TYR A 109 -9.341 2.933 19.186 1.00 30.41 O ATOM 1649 CB TYR A 109 -9.502 2.099 15.969 1.00 42.35 C ATOM 1650 CG TYR A 109 -8.397 3.084 15.658 1.00 22.50 C ATOM 1651 CD1 TYR A 109 -8.601 4.129 14.765 1.00 33.43 C ATOM 1652 CD2 TYR A 109 -7.148 2.968 16.256 1.00 12.12 C ATOM 1653 CE1 TYR A 109 -7.595 5.030 14.478 1.00 64.11 C ATOM 1654 CE2 TYR A 109 -6.136 3.866 15.976 1.00 71.40 C ATOM 1655 CZ TYR A 109 -6.364 4.895 15.086 1.00 30.51 C ATOM 1656 OH TYR A 109 -5.358 5.790 14.803 1.00 20.32 O ATOM 0 H TYR A 109 -9.747 4.546 17.080 1.00 61.43 H new ATOM 0 HA TYR A 109 -11.425 2.110 16.926 1.00 30.45 H new ATOM 0 HB2 TYR A 109 -9.058 1.148 16.263 1.00 42.35 H new ATOM 0 HB3 TYR A 109 -10.079 1.914 15.063 1.00 42.35 H new ATOM 0 HD1 TYR A 109 -9.563 4.238 14.287 1.00 33.43 H new ATOM 0 HD2 TYR A 109 -6.965 2.162 16.951 1.00 12.12 H new ATOM 0 HE1 TYR A 109 -7.771 5.836 13.781 1.00 64.11 H new ATOM 0 HE2 TYR A 109 -5.172 3.763 16.451 1.00 71.40 H new ATOM 0 HH TYR A 109 -5.491 6.158 13.905 1.00 20.32 H new ATOM 1666 N PRO A 110 -10.095 0.852 18.764 1.00 43.12 N ATOM 1667 CA PRO A 110 -9.635 0.285 20.035 1.00 0.42 C ATOM 1668 C PRO A 110 -8.115 0.189 20.111 1.00 31.00 C ATOM 1669 O PRO A 110 -7.414 0.245 19.100 1.00 12.04 O ATOM 1670 CB PRO A 110 -10.261 -1.112 20.048 1.00 43.52 C ATOM 1671 CG PRO A 110 -10.462 -1.449 18.611 1.00 62.52 C ATOM 1672 CD PRO A 110 -10.765 -0.150 17.918 1.00 14.33 C ATOM 0 HA PRO A 110 -9.923 0.904 20.885 1.00 0.42 H new ATOM 0 HB2 PRO A 110 -9.607 -1.834 20.537 1.00 43.52 H new ATOM 0 HB3 PRO A 110 -11.205 -1.118 20.592 1.00 43.52 H new ATOM 0 HG2 PRO A 110 -9.571 -1.916 18.192 1.00 62.52 H new ATOM 0 HG3 PRO A 110 -11.281 -2.157 18.487 1.00 62.52 H new ATOM 0 HD2 PRO A 110 -10.379 -0.139 16.899 1.00 14.33 H new ATOM 0 HD3 PRO A 110 -11.838 0.031 17.854 1.00 14.33 H new ATOM 1680 N PRO A 111 -7.591 0.040 21.337 1.00 72.02 N ATOM 1681 CA PRO A 111 -6.149 -0.068 21.573 1.00 25.52 C ATOM 1682 C PRO A 111 -5.574 -1.385 21.061 1.00 35.00 C ATOM 1683 O PRO A 111 -6.273 -2.397 21.001 1.00 0.02 O ATOM 1684 CB PRO A 111 -6.032 0.009 23.098 1.00 72.44 C ATOM 1685 CG PRO A 111 -7.349 -0.472 23.603 1.00 43.13 C ATOM 1686 CD PRO A 111 -8.367 -0.035 22.586 1.00 1.32 C ATOM 0 HA PRO A 111 -5.592 0.708 21.049 1.00 25.52 H new ATOM 0 HB2 PRO A 111 -5.216 -0.614 23.465 1.00 72.44 H new ATOM 0 HB3 PRO A 111 -5.829 1.028 23.429 1.00 72.44 H new ATOM 0 HG2 PRO A 111 -7.351 -1.556 23.716 1.00 43.13 H new ATOM 0 HG3 PRO A 111 -7.570 -0.049 24.583 1.00 43.13 H new ATOM 0 HD2 PRO A 111 -9.188 -0.748 22.507 1.00 1.32 H new ATOM 0 HD3 PRO A 111 -8.806 0.929 22.845 1.00 1.32 H new ATOM 1694 N VAL A 112 -4.297 -1.365 20.693 1.00 74.04 N ATOM 1695 CA VAL A 112 -3.629 -2.558 20.187 1.00 41.12 C ATOM 1696 C VAL A 112 -2.369 -2.863 20.988 1.00 25.24 C ATOM 1697 O VAL A 112 -1.400 -2.104 20.955 1.00 12.42 O ATOM 1698 CB VAL A 112 -3.254 -2.404 18.701 1.00 52.12 C ATOM 1699 CG1 VAL A 112 -2.755 -3.725 18.136 1.00 31.10 C ATOM 1700 CG2 VAL A 112 -4.442 -1.888 17.903 1.00 73.31 C ATOM 0 H VAL A 112 -3.704 -0.536 20.736 1.00 74.04 H new ATOM 0 HA VAL A 112 -4.333 -3.384 20.293 1.00 41.12 H new ATOM 0 HB VAL A 112 -2.448 -1.675 18.621 1.00 52.12 H new ATOM 0 HG11 VAL A 112 -2.495 -3.596 17.085 1.00 31.10 H new ATOM 0 HG12 VAL A 112 -1.874 -4.049 18.691 1.00 31.10 H new ATOM 0 HG13 VAL A 112 -3.538 -4.478 18.226 1.00 31.10 H new ATOM 0 HG21 VAL A 112 -4.159 -1.785 16.855 1.00 73.31 H new ATOM 0 HG22 VAL A 112 -5.270 -2.591 17.988 1.00 73.31 H new ATOM 0 HG23 VAL A 112 -4.748 -0.917 18.293 1.00 73.31 H new ATOM 1710 N ASP A 113 -2.388 -3.980 21.708 1.00 43.23 N ATOM 1711 CA ASP A 113 -1.245 -4.387 22.517 1.00 34.44 C ATOM 1712 C ASP A 113 -0.434 -5.467 21.808 1.00 31.11 C ATOM 1713 O ASP A 113 -0.989 -6.440 21.295 1.00 45.32 O ATOM 1714 CB ASP A 113 -1.715 -4.898 23.880 1.00 14.14 C ATOM 1715 CG ASP A 113 -2.443 -6.224 23.782 1.00 33.23 C ATOM 1716 OD1 ASP A 113 -3.630 -6.223 23.393 1.00 50.33 O ATOM 1717 OD2 ASP A 113 -1.826 -7.264 24.094 1.00 0.31 O ATOM 0 H ASP A 113 -3.182 -4.619 21.748 1.00 43.23 H new ATOM 0 HA ASP A 113 -0.606 -3.516 22.664 1.00 34.44 H new ATOM 0 HB2 ASP A 113 -0.855 -5.007 24.540 1.00 14.14 H new ATOM 0 HB3 ASP A 113 -2.374 -4.158 24.335 1.00 14.14 H new ATOM 1722 N THR A 114 0.883 -5.289 21.782 1.00 62.32 N ATOM 1723 CA THR A 114 1.771 -6.246 21.134 1.00 71.34 C ATOM 1724 C THR A 114 3.076 -6.396 21.906 1.00 22.35 C ATOM 1725 O THR A 114 3.793 -5.421 22.125 1.00 5.24 O ATOM 1726 CB THR A 114 2.090 -5.826 19.686 1.00 13.15 C ATOM 1727 OG1 THR A 114 1.573 -4.515 19.432 1.00 11.10 O ATOM 1728 CG2 THR A 114 1.495 -6.813 18.693 1.00 42.51 C ATOM 0 H THR A 114 1.358 -4.490 22.202 1.00 62.32 H new ATOM 0 HA THR A 114 1.248 -7.202 21.121 1.00 71.34 H new ATOM 0 HB THR A 114 3.173 -5.819 19.562 1.00 13.15 H new ATOM 0 HG1 THR A 114 2.314 -3.903 19.239 1.00 11.10 H new ATOM 0 HG21 THR A 114 1.733 -6.496 17.678 1.00 42.51 H new ATOM 0 HG22 THR A 114 1.912 -7.804 18.871 1.00 42.51 H new ATOM 0 HG23 THR A 114 0.413 -6.847 18.818 1.00 42.51 H new ATOM 1736 N GLU A 115 3.378 -7.624 22.317 1.00 61.35 N ATOM 1737 CA GLU A 115 4.598 -7.900 23.066 1.00 64.45 C ATOM 1738 C GLU A 115 5.631 -8.599 22.185 1.00 34.33 C ATOM 1739 O GLU A 115 5.282 -9.395 21.313 1.00 41.02 O ATOM 1740 CB GLU A 115 4.287 -8.764 24.290 1.00 65.13 C ATOM 1741 CG GLU A 115 3.543 -8.021 25.386 1.00 54.43 C ATOM 1742 CD GLU A 115 2.098 -7.739 25.022 1.00 72.14 C ATOM 1743 OE1 GLU A 115 1.272 -8.672 25.111 1.00 53.51 O ATOM 1744 OE2 GLU A 115 1.793 -6.587 24.647 1.00 22.44 O ATOM 0 H GLU A 115 2.795 -8.443 22.144 1.00 61.35 H new ATOM 0 HA GLU A 115 5.013 -6.948 23.398 1.00 64.45 H new ATOM 0 HB2 GLU A 115 3.693 -9.622 23.977 1.00 65.13 H new ATOM 0 HB3 GLU A 115 5.221 -9.154 24.696 1.00 65.13 H new ATOM 0 HG2 GLU A 115 3.575 -8.608 26.304 1.00 54.43 H new ATOM 0 HG3 GLU A 115 4.052 -7.080 25.592 1.00 54.43 H new ATOM 1751 N PHE A 116 6.903 -8.296 22.421 1.00 52.34 N ATOM 1752 CA PHE A 116 7.987 -8.893 21.649 1.00 54.41 C ATOM 1753 C PHE A 116 9.004 -9.562 22.568 1.00 31.40 C ATOM 1754 O PHE A 116 9.442 -8.977 23.558 1.00 3.51 O ATOM 1755 CB PHE A 116 8.678 -7.829 20.793 1.00 0.04 C ATOM 1756 CG PHE A 116 7.727 -7.019 19.960 1.00 71.15 C ATOM 1757 CD1 PHE A 116 6.789 -7.642 19.152 1.00 64.41 C ATOM 1758 CD2 PHE A 116 7.771 -5.634 19.983 1.00 72.42 C ATOM 1759 CE1 PHE A 116 5.912 -6.900 18.384 1.00 64.15 C ATOM 1760 CE2 PHE A 116 6.896 -4.887 19.217 1.00 42.10 C ATOM 1761 CZ PHE A 116 5.967 -5.520 18.415 1.00 33.54 C ATOM 0 H PHE A 116 7.209 -7.641 23.140 1.00 52.34 H new ATOM 0 HA PHE A 116 7.559 -9.653 20.996 1.00 54.41 H new ATOM 0 HB2 PHE A 116 9.239 -7.159 21.444 1.00 0.04 H new ATOM 0 HB3 PHE A 116 9.400 -8.315 20.137 1.00 0.04 H new ATOM 0 HD1 PHE A 116 6.743 -8.721 19.122 1.00 64.41 H new ATOM 0 HD2 PHE A 116 8.497 -5.133 20.606 1.00 72.42 H new ATOM 0 HE1 PHE A 116 5.185 -7.398 17.760 1.00 64.15 H new ATOM 0 HE2 PHE A 116 6.939 -3.808 19.246 1.00 42.10 H new ATOM 0 HZ PHE A 116 5.285 -4.938 17.813 1.00 33.54 H new ATOM 1771 N ASP A 117 9.374 -10.794 22.233 1.00 0.52 N ATOM 1772 CA ASP A 117 10.340 -11.544 23.027 1.00 31.11 C ATOM 1773 C ASP A 117 11.767 -11.210 22.605 1.00 62.35 C ATOM 1774 O ASP A 117 12.188 -11.535 21.494 1.00 71.13 O ATOM 1775 CB ASP A 117 10.091 -13.047 22.885 1.00 11.54 C ATOM 1776 CG ASP A 117 8.640 -13.418 23.119 1.00 13.54 C ATOM 1777 OD1 ASP A 117 8.207 -13.409 24.291 1.00 40.34 O ATOM 1778 OD2 ASP A 117 7.937 -13.718 22.131 1.00 11.44 O ATOM 0 H ASP A 117 9.020 -11.294 21.417 1.00 0.52 H new ATOM 0 HA ASP A 117 10.214 -11.260 24.072 1.00 31.11 H new ATOM 0 HB2 ASP A 117 10.389 -13.369 21.887 1.00 11.54 H new ATOM 0 HB3 ASP A 117 10.720 -13.585 23.595 1.00 11.54 H new ATOM 1783 N ILE A 118 12.506 -10.560 23.497 1.00 41.33 N ATOM 1784 CA ILE A 118 13.886 -10.182 23.216 1.00 74.12 C ATOM 1785 C ILE A 118 14.861 -11.220 23.760 1.00 43.00 C ATOM 1786 O ILE A 118 14.857 -11.527 24.952 1.00 11.13 O ATOM 1787 CB ILE A 118 14.227 -8.807 23.819 1.00 10.14 C ATOM 1788 CG1 ILE A 118 13.123 -7.797 23.500 1.00 33.21 C ATOM 1789 CG2 ILE A 118 15.568 -8.317 23.295 1.00 43.40 C ATOM 1790 CD1 ILE A 118 12.922 -7.570 22.018 1.00 13.12 C ATOM 0 H ILE A 118 12.173 -10.284 24.421 1.00 41.33 H new ATOM 0 HA ILE A 118 13.984 -10.128 22.132 1.00 74.12 H new ATOM 0 HB ILE A 118 14.297 -8.909 24.902 1.00 10.14 H new ATOM 0 HG12 ILE A 118 12.187 -8.144 23.936 1.00 33.21 H new ATOM 0 HG13 ILE A 118 13.363 -6.846 23.976 1.00 33.21 H new ATOM 0 HG21 ILE A 118 15.795 -7.344 23.730 1.00 43.40 H new ATOM 0 HG22 ILE A 118 16.347 -9.028 23.569 1.00 43.40 H new ATOM 0 HG23 ILE A 118 15.524 -8.227 22.210 1.00 43.40 H new ATOM 0 HD11 ILE A 118 12.124 -6.843 21.866 1.00 13.12 H new ATOM 0 HD12 ILE A 118 13.846 -7.193 21.579 1.00 13.12 H new ATOM 0 HD13 ILE A 118 12.651 -8.511 21.539 1.00 13.12 H new ATOM 1802 N PHE A 119 15.699 -11.756 22.878 1.00 35.44 N ATOM 1803 CA PHE A 119 16.682 -12.760 23.270 1.00 14.31 C ATOM 1804 C PHE A 119 17.834 -12.811 22.271 1.00 31.21 C ATOM 1805 O PHE A 119 18.444 -13.859 22.064 1.00 70.22 O ATOM 1806 CB PHE A 119 16.022 -14.136 23.377 1.00 62.35 C ATOM 1807 CG PHE A 119 14.957 -14.372 22.344 1.00 21.31 C ATOM 1808 CD1 PHE A 119 15.202 -14.114 21.005 1.00 4.21 C ATOM 1809 CD2 PHE A 119 13.711 -14.853 22.713 1.00 50.05 C ATOM 1810 CE1 PHE A 119 14.224 -14.329 20.053 1.00 33.33 C ATOM 1811 CE2 PHE A 119 12.728 -15.071 21.765 1.00 4.20 C ATOM 1812 CZ PHE A 119 12.986 -14.810 20.434 1.00 53.45 C ATOM 0 H PHE A 119 15.717 -11.512 21.888 1.00 35.44 H new ATOM 0 HA PHE A 119 17.082 -12.481 24.245 1.00 14.31 H new ATOM 0 HB2 PHE A 119 16.788 -14.906 23.280 1.00 62.35 H new ATOM 0 HB3 PHE A 119 15.585 -14.244 24.370 1.00 62.35 H new ATOM 0 HD1 PHE A 119 16.169 -13.740 20.702 1.00 4.21 H new ATOM 0 HD2 PHE A 119 13.505 -15.060 23.753 1.00 50.05 H new ATOM 0 HE1 PHE A 119 14.427 -14.121 19.013 1.00 33.33 H new ATOM 0 HE2 PHE A 119 11.760 -15.445 22.065 1.00 4.20 H new ATOM 0 HZ PHE A 119 12.221 -14.982 19.691 1.00 53.45 H new ATOM 1822 N GLY A 120 18.126 -11.670 21.654 1.00 74.24 N ATOM 1823 CA GLY A 120 19.203 -11.606 20.683 1.00 33.22 C ATOM 1824 C GLY A 120 18.714 -11.801 19.261 1.00 4.54 C ATOM 1825 O GLY A 120 18.388 -12.916 18.857 1.00 2.42 O ATOM 0 H GLY A 120 17.636 -10.789 21.809 1.00 74.24 H new ATOM 0 HA2 GLY A 120 19.703 -10.641 20.763 1.00 33.22 H new ATOM 0 HA3 GLY A 120 19.945 -12.370 20.917 1.00 33.22 H new ATOM 1829 N ASN A 121 18.663 -10.712 18.501 1.00 15.52 N ATOM 1830 CA ASN A 121 18.208 -10.767 17.117 1.00 60.05 C ATOM 1831 C ASN A 121 18.256 -9.385 16.473 1.00 53.35 C ATOM 1832 O ASN A 121 18.668 -9.238 15.323 1.00 42.12 O ATOM 1833 CB ASN A 121 16.785 -11.326 17.047 1.00 43.41 C ATOM 1834 CG ASN A 121 16.625 -12.363 15.953 1.00 75.23 C ATOM 1835 OD1 ASN A 121 17.356 -13.353 15.908 1.00 52.43 O ATOM 1836 ND2 ASN A 121 15.664 -12.141 15.063 1.00 13.04 N ATOM 0 H ASN A 121 18.931 -9.781 18.820 1.00 15.52 H new ATOM 0 HA ASN A 121 18.878 -11.428 16.567 1.00 60.05 H new ATOM 0 HB2 ASN A 121 16.525 -11.772 18.007 1.00 43.41 H new ATOM 0 HB3 ASN A 121 16.085 -10.509 16.875 1.00 43.41 H new ATOM 0 HD21 ASN A 121 15.509 -12.805 14.304 1.00 13.04 H new ATOM 0 HD22 ASN A 121 15.082 -11.307 15.139 1.00 13.04 H new ATOM 1843 N GLY A 122 17.831 -8.373 17.223 1.00 13.13 N ATOM 1844 CA GLY A 122 17.833 -7.016 16.709 1.00 5.35 C ATOM 1845 C GLY A 122 16.471 -6.584 16.204 1.00 62.54 C ATOM 1846 O GLY A 122 15.780 -5.797 16.851 1.00 42.11 O ATOM 0 H GLY A 122 17.485 -8.469 18.178 1.00 13.13 H new ATOM 0 HA2 GLY A 122 18.159 -6.334 17.494 1.00 5.35 H new ATOM 0 HA3 GLY A 122 18.558 -6.939 15.899 1.00 5.35 H new ATOM 1850 N THR A 123 16.083 -7.100 15.041 1.00 34.04 N ATOM 1851 CA THR A 123 14.796 -6.762 14.447 1.00 15.33 C ATOM 1852 C THR A 123 13.700 -7.703 14.935 1.00 3.13 C ATOM 1853 O THR A 123 13.885 -8.920 14.972 1.00 11.31 O ATOM 1854 CB THR A 123 14.855 -6.816 12.909 1.00 3.30 C ATOM 1855 OG1 THR A 123 16.167 -6.461 12.457 1.00 52.21 O ATOM 1856 CG2 THR A 123 13.830 -5.875 12.294 1.00 34.33 C ATOM 0 H THR A 123 16.642 -7.753 14.493 1.00 34.04 H new ATOM 0 HA THR A 123 14.563 -5.744 14.759 1.00 15.33 H new ATOM 0 HB THR A 123 14.625 -7.834 12.594 1.00 3.30 H new ATOM 0 HG1 THR A 123 16.197 -6.499 11.478 1.00 52.21 H new ATOM 0 HG21 THR A 123 13.891 -5.931 11.207 1.00 34.33 H new ATOM 0 HG22 THR A 123 12.830 -6.165 12.617 1.00 34.33 H new ATOM 0 HG23 THR A 123 14.034 -4.854 12.617 1.00 34.33 H new ATOM 1864 N TYR A 124 12.560 -7.133 15.309 1.00 41.14 N ATOM 1865 CA TYR A 124 11.435 -7.922 15.796 1.00 10.24 C ATOM 1866 C TYR A 124 10.112 -7.356 15.289 1.00 62.14 C ATOM 1867 O TYR A 124 9.970 -6.147 15.105 1.00 42.31 O ATOM 1868 CB TYR A 124 11.434 -7.956 17.326 1.00 61.34 C ATOM 1869 CG TYR A 124 12.718 -8.491 17.920 1.00 54.11 C ATOM 1870 CD1 TYR A 124 13.856 -7.697 17.993 1.00 15.24 C ATOM 1871 CD2 TYR A 124 12.793 -9.790 18.407 1.00 52.11 C ATOM 1872 CE1 TYR A 124 15.031 -8.181 18.535 1.00 73.01 C ATOM 1873 CE2 TYR A 124 13.963 -10.282 18.951 1.00 2.03 C ATOM 1874 CZ TYR A 124 15.079 -9.474 19.013 1.00 43.11 C ATOM 1875 OH TYR A 124 16.247 -9.961 19.553 1.00 4.12 O ATOM 0 H TYR A 124 12.391 -6.127 15.284 1.00 41.14 H new ATOM 0 HA TYR A 124 11.545 -8.938 15.416 1.00 10.24 H new ATOM 0 HB2 TYR A 124 11.261 -6.948 17.703 1.00 61.34 H new ATOM 0 HB3 TYR A 124 10.601 -8.571 17.667 1.00 61.34 H new ATOM 0 HD1 TYR A 124 13.821 -6.684 17.620 1.00 15.24 H new ATOM 0 HD2 TYR A 124 11.921 -10.426 18.359 1.00 52.11 H new ATOM 0 HE1 TYR A 124 15.907 -7.551 18.584 1.00 73.01 H new ATOM 0 HE2 TYR A 124 14.004 -11.294 19.326 1.00 2.03 H new ATOM 0 HH TYR A 124 16.059 -10.783 20.053 1.00 4.12 H new ATOM 1885 N HIS A 125 9.145 -8.240 15.064 1.00 64.31 N ATOM 1886 CA HIS A 125 7.832 -7.831 14.578 1.00 4.44 C ATOM 1887 C HIS A 125 6.737 -8.720 15.159 1.00 52.33 C ATOM 1888 O HIS A 125 6.964 -9.878 15.508 1.00 72.45 O ATOM 1889 CB HIS A 125 7.791 -7.882 13.051 1.00 43.02 C ATOM 1890 CG HIS A 125 9.011 -7.307 12.399 1.00 21.11 C ATOM 1891 ND1 HIS A 125 9.967 -8.081 11.776 1.00 22.22 N ATOM 1892 CD2 HIS A 125 9.427 -6.025 12.274 1.00 22.12 C ATOM 1893 CE1 HIS A 125 10.919 -7.300 11.298 1.00 65.51 C ATOM 1894 NE2 HIS A 125 10.615 -6.048 11.586 1.00 4.13 N ATOM 0 H HIS A 125 9.246 -9.244 15.211 1.00 64.31 H new ATOM 0 HA HIS A 125 7.654 -6.806 14.904 1.00 4.44 H new ATOM 0 HB2 HIS A 125 7.674 -8.918 12.733 1.00 43.02 H new ATOM 0 HB3 HIS A 125 6.913 -7.340 12.701 1.00 43.02 H new ATOM 0 HD2 HIS A 125 8.919 -5.148 12.646 1.00 22.12 H new ATOM 0 HE1 HIS A 125 11.797 -7.630 10.762 1.00 65.51 H new ATOM 0 HE2 HIS A 125 11.172 -5.231 11.338 1.00 4.13 H new ATOM 1902 N PRO A 126 5.520 -8.166 15.266 1.00 33.31 N ATOM 1903 CA PRO A 126 4.365 -8.892 15.804 1.00 10.42 C ATOM 1904 C PRO A 126 3.887 -9.997 14.869 1.00 64.03 C ATOM 1905 O PRO A 126 4.121 -9.944 13.662 1.00 51.05 O ATOM 1906 CB PRO A 126 3.295 -7.805 15.939 1.00 71.35 C ATOM 1907 CG PRO A 126 3.675 -6.773 14.934 1.00 74.35 C ATOM 1908 CD PRO A 126 5.177 -6.790 14.870 1.00 71.10 C ATOM 0 HA PRO A 126 4.601 -9.396 16.741 1.00 10.42 H new ATOM 0 HB2 PRO A 126 2.300 -8.203 15.741 1.00 71.35 H new ATOM 0 HB3 PRO A 126 3.278 -7.389 16.946 1.00 71.35 H new ATOM 0 HG2 PRO A 126 3.240 -6.998 13.960 1.00 74.35 H new ATOM 0 HG3 PRO A 126 3.308 -5.789 15.227 1.00 74.35 H new ATOM 0 HD2 PRO A 126 5.539 -6.558 13.868 1.00 71.10 H new ATOM 0 HD3 PRO A 126 5.616 -6.056 15.546 1.00 71.10 H new ATOM 1916 N GLN A 127 3.218 -10.996 15.434 1.00 31.31 N ATOM 1917 CA GLN A 127 2.708 -12.114 14.649 1.00 21.30 C ATOM 1918 C GLN A 127 1.184 -12.163 14.696 1.00 5.41 C ATOM 1919 O GLN A 127 0.592 -13.222 14.902 1.00 73.44 O ATOM 1920 CB GLN A 127 3.288 -13.433 15.164 1.00 41.22 C ATOM 1921 CG GLN A 127 4.801 -13.520 15.045 1.00 41.44 C ATOM 1922 CD GLN A 127 5.252 -14.654 14.145 1.00 54.50 C ATOM 1923 OE1 GLN A 127 5.327 -14.501 12.925 1.00 24.24 O ATOM 1924 NE2 GLN A 127 5.554 -15.800 14.743 1.00 11.22 N ATOM 0 H GLN A 127 3.016 -11.054 16.432 1.00 31.31 H new ATOM 0 HA GLN A 127 3.017 -11.968 13.614 1.00 21.30 H new ATOM 0 HB2 GLN A 127 3.006 -13.561 16.209 1.00 41.22 H new ATOM 0 HB3 GLN A 127 2.840 -14.258 14.610 1.00 41.22 H new ATOM 0 HG2 GLN A 127 5.186 -12.577 14.656 1.00 41.44 H new ATOM 0 HG3 GLN A 127 5.232 -13.655 16.037 1.00 41.44 H new ATOM 0 HE21 GLN A 127 5.477 -15.882 15.757 1.00 11.22 H new ATOM 0 HE22 GLN A 127 5.863 -16.599 14.189 1.00 11.22 H new ATOM 1933 N THR A 128 0.554 -11.008 14.505 1.00 44.41 N ATOM 1934 CA THR A 128 -0.900 -10.918 14.527 1.00 10.41 C ATOM 1935 C THR A 128 -1.468 -10.852 13.114 1.00 35.12 C ATOM 1936 O THR A 128 -0.738 -10.623 12.150 1.00 42.50 O ATOM 1937 CB THR A 128 -1.375 -9.683 15.317 1.00 65.21 C ATOM 1938 OG1 THR A 128 -0.557 -9.501 16.478 1.00 2.51 O ATOM 1939 CG2 THR A 128 -2.830 -9.834 15.734 1.00 63.03 C ATOM 0 H THR A 128 1.029 -10.122 14.333 1.00 44.41 H new ATOM 0 HA THR A 128 -1.265 -11.819 15.021 1.00 10.41 H new ATOM 0 HB THR A 128 -1.288 -8.810 14.671 1.00 65.21 H new ATOM 0 HG1 THR A 128 -0.864 -8.713 16.974 1.00 2.51 H new ATOM 0 HG21 THR A 128 -3.143 -8.950 16.290 1.00 63.03 H new ATOM 0 HG22 THR A 128 -3.453 -9.944 14.847 1.00 63.03 H new ATOM 0 HG23 THR A 128 -2.938 -10.716 16.365 1.00 63.03 H new