USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 785 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 84 LYS NZ :NH3+ -147:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.92 K(o=2,f=-7.2!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ -111:sc= 0.5 (180deg=-0.227) USER MOD Set 2.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 25:sc= 0.0969 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0456 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 20 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 29:sc= 0.121 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.292 USER MOD Single : A 38 SER OG : rot 180:sc= -0.322 USER MOD Single : A 49 GLN : amide:sc= -0.645 K(o=-0.65,f=-0.027) USER MOD Single : A 50 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.0036) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= -0.0122 (180deg=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= 2.12 (180deg=0.466) USER MOD Single : A 59 HIS : no HD1:sc= -0.0683 X(o=-0.068,f=-0.079) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 71 ASN : amide:sc= -0.869 K(o=-0.87,f=-1.4!) USER MOD Single : A 72 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.4!) USER MOD Single : A 74 THR OG1 : rot 74:sc= 0.918 USER MOD Single : A 78 ASN : amide:sc= -0.253 K(o=-0.25,f=-3.1!) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 85 ASN : amide:sc= -3.89! K(o=-3.9!,f=-1.4) USER MOD Single : A 86 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.41) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= -0.0319 (180deg=-0.222) USER MOD Single : A 91 SER OG : rot 180:sc= -0.399 USER MOD Single : A 92 MET CE :methyl 160:sc= -0.159 (180deg=-0.762) USER MOD Single : A 96 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.53) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.01) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 99 N THR A 8 0.368 -17.962 -4.022 1.00 33.14 N ATOM 100 CA THR A 8 0.621 -16.666 -4.664 1.00 34.25 C ATOM 101 C THR A 8 0.739 -15.553 -3.615 1.00 12.45 C ATOM 102 O THR A 8 -0.242 -15.198 -2.959 1.00 54.24 O ATOM 103 CB THR A 8 -0.503 -16.297 -5.666 1.00 24.25 C ATOM 104 OG1 THR A 8 -0.666 -17.350 -6.629 1.00 3.51 O ATOM 105 CG2 THR A 8 -0.192 -14.988 -6.391 1.00 73.43 C ATOM 0 HA THR A 8 1.561 -16.759 -5.208 1.00 34.25 H new ATOM 0 HB THR A 8 -1.426 -16.167 -5.101 1.00 24.25 H new ATOM 0 HG1 THR A 8 -0.349 -18.195 -6.247 1.00 3.51 H new ATOM 0 HG21 THR A 8 -0.999 -14.757 -7.086 1.00 73.43 H new ATOM 0 HG22 THR A 8 -0.098 -14.182 -5.663 1.00 73.43 H new ATOM 0 HG23 THR A 8 0.743 -15.090 -6.941 1.00 73.43 H new ATOM 113 N SER A 9 1.947 -15.022 -3.441 1.00 64.02 N ATOM 114 CA SER A 9 2.180 -13.926 -2.485 1.00 22.22 C ATOM 115 C SER A 9 1.936 -12.560 -3.141 1.00 3.20 C ATOM 116 O SER A 9 1.630 -12.480 -4.330 1.00 22.21 O ATOM 117 CB SER A 9 3.605 -13.992 -1.922 1.00 40.20 C ATOM 118 OG SER A 9 3.837 -12.954 -0.982 1.00 12.14 O ATOM 0 H SER A 9 2.781 -15.327 -3.944 1.00 64.02 H new ATOM 0 HA SER A 9 1.472 -14.045 -1.665 1.00 22.22 H new ATOM 0 HB2 SER A 9 3.766 -14.959 -1.446 1.00 40.20 H new ATOM 0 HB3 SER A 9 4.324 -13.915 -2.737 1.00 40.20 H new ATOM 0 HG SER A 9 4.752 -13.022 -0.639 1.00 12.14 H new ATOM 124 N PHE A 10 2.084 -11.485 -2.370 1.00 34.31 N ATOM 125 CA PHE A 10 1.769 -10.134 -2.862 1.00 73.24 C ATOM 126 C PHE A 10 2.797 -9.096 -2.378 1.00 73.14 C ATOM 127 O PHE A 10 3.283 -9.166 -1.246 1.00 3.10 O ATOM 128 CB PHE A 10 0.357 -9.726 -2.414 1.00 14.30 C ATOM 129 CG PHE A 10 -0.719 -10.684 -2.864 1.00 24.15 C ATOM 130 CD1 PHE A 10 -1.135 -10.709 -4.186 1.00 54.12 C ATOM 131 CD2 PHE A 10 -1.305 -11.565 -1.965 1.00 33.22 C ATOM 132 CE1 PHE A 10 -2.112 -11.592 -4.605 1.00 34.21 C ATOM 133 CE2 PHE A 10 -2.283 -12.448 -2.379 1.00 12.32 C ATOM 134 CZ PHE A 10 -2.687 -12.462 -3.700 1.00 21.55 C ATOM 0 H PHE A 10 2.418 -11.516 -1.407 1.00 34.31 H new ATOM 0 HA PHE A 10 1.812 -10.160 -3.951 1.00 73.24 H new ATOM 0 HB2 PHE A 10 0.336 -9.654 -1.327 1.00 14.30 H new ATOM 0 HB3 PHE A 10 0.134 -8.733 -2.804 1.00 14.30 H new ATOM 0 HD1 PHE A 10 -0.690 -10.030 -4.898 1.00 54.12 H new ATOM 0 HD2 PHE A 10 -0.993 -11.560 -0.931 1.00 33.22 H new ATOM 0 HE1 PHE A 10 -2.425 -11.602 -5.639 1.00 34.21 H new ATOM 0 HE2 PHE A 10 -2.732 -13.128 -1.670 1.00 12.32 H new ATOM 0 HZ PHE A 10 -3.451 -13.152 -4.024 1.00 21.55 H new ATOM 144 N ILE A 11 3.119 -8.132 -3.246 1.00 10.31 N ATOM 145 CA ILE A 11 4.089 -7.067 -2.928 1.00 41.31 C ATOM 146 C ILE A 11 3.431 -5.676 -2.986 1.00 24.30 C ATOM 147 O ILE A 11 2.670 -5.378 -3.909 1.00 71.53 O ATOM 148 CB ILE A 11 5.290 -7.092 -3.914 1.00 52.14 C ATOM 149 CG1 ILE A 11 5.978 -8.467 -3.890 1.00 73.23 C ATOM 150 CG2 ILE A 11 6.287 -5.977 -3.588 1.00 10.31 C ATOM 151 CD1 ILE A 11 7.171 -8.575 -4.820 1.00 72.40 C ATOM 0 H ILE A 11 2.721 -8.063 -4.183 1.00 10.31 H new ATOM 0 HA ILE A 11 4.445 -7.256 -1.915 1.00 41.31 H new ATOM 0 HB ILE A 11 4.910 -6.917 -4.921 1.00 52.14 H new ATOM 0 HG12 ILE A 11 6.303 -8.682 -2.872 1.00 73.23 H new ATOM 0 HG13 ILE A 11 5.249 -9.231 -4.160 1.00 73.23 H new ATOM 0 HG21 ILE A 11 7.119 -6.015 -4.292 1.00 10.31 H new ATOM 0 HG22 ILE A 11 5.790 -5.010 -3.666 1.00 10.31 H new ATOM 0 HG23 ILE A 11 6.664 -6.111 -2.574 1.00 10.31 H new ATOM 0 HD11 ILE A 11 7.601 -9.574 -4.746 1.00 72.40 H new ATOM 0 HD12 ILE A 11 6.850 -8.394 -5.846 1.00 72.40 H new ATOM 0 HD13 ILE A 11 7.920 -7.835 -4.538 1.00 72.40 H new ATOM 163 N LEU A 12 3.743 -4.828 -2.005 1.00 72.33 N ATOM 164 CA LEU A 12 3.175 -3.477 -1.928 1.00 62.52 C ATOM 165 C LEU A 12 4.089 -2.431 -2.594 1.00 55.03 C ATOM 166 O LEU A 12 5.275 -2.325 -2.272 1.00 10.25 O ATOM 167 CB LEU A 12 2.942 -3.090 -0.462 1.00 61.10 C ATOM 168 CG LEU A 12 2.325 -1.697 -0.233 1.00 61.34 C ATOM 169 CD1 LEU A 12 0.914 -1.619 -0.817 1.00 2.33 C ATOM 170 CD2 LEU A 12 2.314 -1.351 1.253 1.00 43.01 C ATOM 0 H LEU A 12 4.389 -5.052 -1.248 1.00 72.33 H new ATOM 0 HA LEU A 12 2.227 -3.489 -2.467 1.00 62.52 H new ATOM 0 HB2 LEU A 12 2.290 -3.836 -0.007 1.00 61.10 H new ATOM 0 HB3 LEU A 12 3.896 -3.136 0.064 1.00 61.10 H new ATOM 0 HG LEU A 12 2.944 -0.965 -0.751 1.00 61.34 H new ATOM 0 HD11 LEU A 12 0.502 -0.625 -0.641 1.00 2.33 H new ATOM 0 HD12 LEU A 12 0.953 -1.811 -1.889 1.00 2.33 H new ATOM 0 HD13 LEU A 12 0.280 -2.365 -0.337 1.00 2.33 H new ATOM 0 HD21 LEU A 12 1.874 -0.363 1.393 1.00 43.01 H new ATOM 0 HD22 LEU A 12 1.725 -2.091 1.794 1.00 43.01 H new ATOM 0 HD23 LEU A 12 3.335 -1.351 1.634 1.00 43.01 H new ATOM 182 N LYS A 13 3.521 -1.661 -3.519 1.00 53.41 N ATOM 183 CA LYS A 13 4.231 -0.557 -4.179 1.00 63.40 C ATOM 184 C LYS A 13 3.570 0.790 -3.859 1.00 51.32 C ATOM 185 O LYS A 13 2.409 1.019 -4.207 1.00 35.41 O ATOM 186 CB LYS A 13 4.248 -0.760 -5.698 1.00 21.21 C ATOM 187 CG LYS A 13 4.900 -2.064 -6.140 1.00 63.12 C ATOM 188 CD LYS A 13 4.904 -2.199 -7.657 1.00 71.44 C ATOM 189 CE LYS A 13 3.492 -2.104 -8.235 1.00 11.31 C ATOM 190 NZ LYS A 13 3.447 -2.481 -9.673 1.00 61.14 N ATOM 0 H LYS A 13 2.558 -1.780 -3.835 1.00 53.41 H new ATOM 0 HA LYS A 13 5.254 -0.550 -3.802 1.00 63.40 H new ATOM 0 HB2 LYS A 13 3.224 -0.733 -6.070 1.00 21.21 H new ATOM 0 HB3 LYS A 13 4.777 0.074 -6.160 1.00 21.21 H new ATOM 0 HG2 LYS A 13 5.923 -2.105 -5.767 1.00 63.12 H new ATOM 0 HG3 LYS A 13 4.366 -2.906 -5.700 1.00 63.12 H new ATOM 0 HD2 LYS A 13 5.528 -1.418 -8.091 1.00 71.44 H new ATOM 0 HD3 LYS A 13 5.349 -3.154 -7.937 1.00 71.44 H new ATOM 0 HE2 LYS A 13 2.825 -2.755 -7.669 1.00 11.31 H new ATOM 0 HE3 LYS A 13 3.120 -1.086 -8.116 1.00 11.31 H new ATOM 0 HZ1 LYS A 13 3.245 -1.638 -10.247 1.00 61.14 H new ATOM 0 HZ2 LYS A 13 4.365 -2.880 -9.956 1.00 61.14 H new ATOM 0 HZ3 LYS A 13 2.700 -3.189 -9.823 1.00 61.14 H new ATOM 204 N VAL A 14 4.311 1.677 -3.208 1.00 63.43 N ATOM 205 CA VAL A 14 3.797 2.997 -2.839 1.00 42.05 C ATOM 206 C VAL A 14 4.457 4.115 -3.671 1.00 53.52 C ATOM 207 O VAL A 14 5.680 4.281 -3.666 1.00 61.20 O ATOM 208 CB VAL A 14 4.012 3.275 -1.332 1.00 50.42 C ATOM 209 CG1 VAL A 14 3.482 4.655 -0.947 1.00 0.03 C ATOM 210 CG2 VAL A 14 3.358 2.185 -0.480 1.00 4.25 C ATOM 0 H VAL A 14 5.275 1.508 -2.922 1.00 63.43 H new ATOM 0 HA VAL A 14 2.728 2.994 -3.051 1.00 42.05 H new ATOM 0 HB VAL A 14 5.085 3.262 -1.138 1.00 50.42 H new ATOM 0 HG11 VAL A 14 3.646 4.824 0.117 1.00 0.03 H new ATOM 0 HG12 VAL A 14 4.006 5.419 -1.521 1.00 0.03 H new ATOM 0 HG13 VAL A 14 2.415 4.708 -1.162 1.00 0.03 H new ATOM 0 HG21 VAL A 14 3.522 2.401 0.576 1.00 4.25 H new ATOM 0 HG22 VAL A 14 2.287 2.158 -0.683 1.00 4.25 H new ATOM 0 HG23 VAL A 14 3.798 1.218 -0.725 1.00 4.25 H new ATOM 220 N LEU A 15 3.635 4.874 -4.389 1.00 0.33 N ATOM 221 CA LEU A 15 4.113 6.000 -5.195 1.00 2.31 C ATOM 222 C LEU A 15 4.107 7.292 -4.354 1.00 61.22 C ATOM 223 O LEU A 15 3.045 7.817 -4.004 1.00 32.10 O ATOM 224 CB LEU A 15 3.226 6.159 -6.446 1.00 21.45 C ATOM 225 CG LEU A 15 3.917 6.732 -7.704 1.00 63.40 C ATOM 226 CD1 LEU A 15 2.929 6.819 -8.866 1.00 31.53 C ATOM 227 CD2 LEU A 15 4.539 8.101 -7.431 1.00 24.04 C ATOM 0 H LEU A 15 2.626 4.730 -4.431 1.00 0.33 H new ATOM 0 HA LEU A 15 5.136 5.805 -5.516 1.00 2.31 H new ATOM 0 HB2 LEU A 15 2.811 5.183 -6.698 1.00 21.45 H new ATOM 0 HB3 LEU A 15 2.387 6.806 -6.191 1.00 21.45 H new ATOM 0 HG LEU A 15 4.722 6.050 -7.976 1.00 63.40 H new ATOM 0 HD11 LEU A 15 3.433 7.225 -9.743 1.00 31.53 H new ATOM 0 HD12 LEU A 15 2.548 5.824 -9.095 1.00 31.53 H new ATOM 0 HD13 LEU A 15 2.100 7.471 -8.591 1.00 31.53 H new ATOM 0 HD21 LEU A 15 5.015 8.472 -8.339 1.00 24.04 H new ATOM 0 HD22 LEU A 15 3.761 8.798 -7.119 1.00 24.04 H new ATOM 0 HD23 LEU A 15 5.284 8.011 -6.641 1.00 24.04 H new ATOM 239 N TRP A 16 5.299 7.790 -4.035 1.00 63.40 N ATOM 240 CA TRP A 16 5.455 8.969 -3.170 1.00 40.21 C ATOM 241 C TRP A 16 5.414 10.271 -3.996 1.00 11.12 C ATOM 242 O TRP A 16 6.326 10.547 -4.779 1.00 53.03 O ATOM 243 CB TRP A 16 6.786 8.853 -2.406 1.00 42.33 C ATOM 244 CG TRP A 16 6.869 9.692 -1.160 1.00 34.10 C ATOM 245 CD1 TRP A 16 7.410 10.941 -1.033 1.00 63.44 C ATOM 246 CD2 TRP A 16 6.406 9.324 0.148 1.00 33.44 C ATOM 247 NE1 TRP A 16 7.317 11.366 0.272 1.00 23.45 N ATOM 248 CE2 TRP A 16 6.700 10.394 1.012 1.00 54.12 C ATOM 249 CE3 TRP A 16 5.771 8.193 0.668 1.00 12.13 C ATOM 250 CZ2 TRP A 16 6.381 10.366 2.367 1.00 22.04 C ATOM 251 CZ3 TRP A 16 5.453 8.167 2.014 1.00 62.12 C ATOM 252 CH2 TRP A 16 5.759 9.247 2.849 1.00 55.10 C ATOM 0 H TRP A 16 6.181 7.396 -4.363 1.00 63.40 H new ATOM 0 HA TRP A 16 4.628 9.006 -2.461 1.00 40.21 H new ATOM 0 HB2 TRP A 16 6.945 7.809 -2.136 1.00 42.33 H new ATOM 0 HB3 TRP A 16 7.599 9.137 -3.074 1.00 42.33 H new ATOM 0 HD1 TRP A 16 7.847 11.511 -1.840 1.00 63.44 H new ATOM 0 HE1 TRP A 16 7.653 12.260 0.630 1.00 23.45 H new ATOM 0 HE3 TRP A 16 5.533 7.354 0.031 1.00 12.13 H new ATOM 0 HZ2 TRP A 16 6.616 11.198 3.014 1.00 22.04 H new ATOM 0 HZ3 TRP A 16 4.961 7.299 2.427 1.00 62.12 H new ATOM 0 HH2 TRP A 16 5.499 9.196 3.896 1.00 55.10 H new ATOM 263 N LEU A 17 4.357 11.066 -3.821 1.00 73.40 N ATOM 264 CA LEU A 17 4.174 12.299 -4.602 1.00 51.51 C ATOM 265 C LEU A 17 4.342 13.572 -3.754 1.00 22.50 C ATOM 266 O LEU A 17 4.641 13.514 -2.560 1.00 31.12 O ATOM 267 CB LEU A 17 2.786 12.302 -5.265 1.00 32.31 C ATOM 268 CG LEU A 17 2.582 11.277 -6.392 1.00 24.51 C ATOM 269 CD1 LEU A 17 1.138 11.304 -6.886 1.00 3.24 C ATOM 270 CD2 LEU A 17 3.551 11.549 -7.542 1.00 0.04 C ATOM 0 H LEU A 17 3.614 10.882 -3.147 1.00 73.40 H new ATOM 0 HA LEU A 17 4.955 12.310 -5.362 1.00 51.51 H new ATOM 0 HB2 LEU A 17 2.036 12.122 -4.495 1.00 32.31 H new ATOM 0 HB3 LEU A 17 2.598 13.298 -5.666 1.00 32.31 H new ATOM 0 HG LEU A 17 2.789 10.282 -5.997 1.00 24.51 H new ATOM 0 HD11 LEU A 17 1.013 10.572 -7.684 1.00 3.24 H new ATOM 0 HD12 LEU A 17 0.467 11.061 -6.062 1.00 3.24 H new ATOM 0 HD13 LEU A 17 0.902 12.298 -7.266 1.00 3.24 H new ATOM 0 HD21 LEU A 17 3.394 10.814 -8.332 1.00 0.04 H new ATOM 0 HD22 LEU A 17 3.375 12.550 -7.937 1.00 0.04 H new ATOM 0 HD23 LEU A 17 4.576 11.477 -7.179 1.00 0.04 H new ATOM 282 N ASP A 18 4.131 14.720 -4.399 1.00 30.31 N ATOM 283 CA ASP A 18 4.289 16.039 -3.766 1.00 24.11 C ATOM 284 C ASP A 18 3.332 16.213 -2.572 1.00 42.22 C ATOM 285 O ASP A 18 3.755 16.493 -1.449 1.00 31.11 O ATOM 286 CB ASP A 18 4.012 17.153 -4.790 1.00 12.34 C ATOM 287 CG ASP A 18 4.586 16.852 -6.165 1.00 0.23 C ATOM 288 OD1 ASP A 18 4.029 15.973 -6.863 1.00 5.34 O ATOM 289 OD2 ASP A 18 5.579 17.494 -6.563 1.00 15.43 O ATOM 0 H ASP A 18 3.845 14.766 -5.377 1.00 30.31 H new ATOM 0 HA ASP A 18 5.315 16.106 -3.404 1.00 24.11 H new ATOM 0 HB2 ASP A 18 2.935 17.300 -4.876 1.00 12.34 H new ATOM 0 HB3 ASP A 18 4.433 18.089 -4.423 1.00 12.34 H new ATOM 294 N GLN A 19 2.033 16.064 -2.839 1.00 41.12 N ATOM 295 CA GLN A 19 0.997 16.251 -1.811 1.00 12.01 C ATOM 296 C GLN A 19 0.148 14.982 -1.613 1.00 41.42 C ATOM 297 O GLN A 19 -0.725 14.940 -0.744 1.00 64.02 O ATOM 298 CB GLN A 19 0.090 17.432 -2.194 1.00 11.34 C ATOM 299 CG GLN A 19 0.830 18.762 -2.327 1.00 44.42 C ATOM 300 CD GLN A 19 -0.081 19.909 -2.733 1.00 62.11 C ATOM 301 OE1 GLN A 19 -1.074 19.718 -3.428 1.00 35.13 O ATOM 302 NE2 GLN A 19 0.250 21.111 -2.311 1.00 24.30 N ATOM 0 H GLN A 19 1.669 15.814 -3.759 1.00 41.12 H new ATOM 0 HA GLN A 19 1.501 16.462 -0.868 1.00 12.01 H new ATOM 0 HB2 GLN A 19 -0.405 17.206 -3.139 1.00 11.34 H new ATOM 0 HB3 GLN A 19 -0.692 17.536 -1.442 1.00 11.34 H new ATOM 0 HG2 GLN A 19 1.307 19.003 -1.377 1.00 44.42 H new ATOM 0 HG3 GLN A 19 1.625 18.657 -3.066 1.00 44.42 H new ATOM 0 HE21 GLN A 19 1.082 21.238 -1.734 1.00 24.30 H new ATOM 0 HE22 GLN A 19 -0.325 21.915 -2.561 1.00 24.30 H new ATOM 311 N ASN A 20 0.409 13.949 -2.411 1.00 32.30 N ATOM 312 CA ASN A 20 -0.366 12.702 -2.343 1.00 24.51 C ATOM 313 C ASN A 20 0.538 11.467 -2.219 1.00 2.40 C ATOM 314 O ASN A 20 1.760 11.556 -2.343 1.00 43.34 O ATOM 315 CB ASN A 20 -1.264 12.557 -3.581 1.00 73.45 C ATOM 316 CG ASN A 20 -2.312 13.656 -3.695 1.00 64.31 C ATOM 317 OD1 ASN A 20 -2.718 14.027 -4.789 1.00 44.30 O ATOM 318 ND2 ASN A 20 -2.764 14.180 -2.573 1.00 0.20 N ATOM 0 H ASN A 20 1.149 13.946 -3.113 1.00 32.30 H new ATOM 0 HA ASN A 20 -0.984 12.760 -1.447 1.00 24.51 H new ATOM 0 HB2 ASN A 20 -0.642 12.563 -4.476 1.00 73.45 H new ATOM 0 HB3 ASN A 20 -1.764 11.589 -3.547 1.00 73.45 H new ATOM 0 HD21 ASN A 20 -3.471 14.915 -2.602 1.00 0.20 H new ATOM 0 HD22 ASN A 20 -2.407 13.851 -1.676 1.00 0.20 H new ATOM 325 N VAL A 21 -0.085 10.318 -1.975 1.00 41.03 N ATOM 326 CA VAL A 21 0.623 9.041 -1.843 1.00 34.33 C ATOM 327 C VAL A 21 -0.251 7.880 -2.358 1.00 33.01 C ATOM 328 O VAL A 21 -1.345 7.637 -1.853 1.00 12.03 O ATOM 329 CB VAL A 21 1.030 8.796 -0.365 1.00 31.14 C ATOM 330 CG1 VAL A 21 -0.154 9.025 0.563 1.00 72.41 C ATOM 331 CG2 VAL A 21 1.595 7.394 -0.165 1.00 73.42 C ATOM 0 H VAL A 21 -1.096 10.242 -1.862 1.00 41.03 H new ATOM 0 HA VAL A 21 1.528 9.087 -2.449 1.00 34.33 H new ATOM 0 HB VAL A 21 1.814 9.512 -0.118 1.00 31.14 H new ATOM 0 HG11 VAL A 21 0.152 8.848 1.594 1.00 72.41 H new ATOM 0 HG12 VAL A 21 -0.504 10.052 0.460 1.00 72.41 H new ATOM 0 HG13 VAL A 21 -0.960 8.339 0.301 1.00 72.41 H new ATOM 0 HG21 VAL A 21 1.869 7.258 0.881 1.00 73.42 H new ATOM 0 HG22 VAL A 21 0.843 6.656 -0.442 1.00 73.42 H new ATOM 0 HG23 VAL A 21 2.478 7.265 -0.791 1.00 73.42 H new ATOM 341 N ALA A 22 0.230 7.175 -3.381 1.00 0.24 N ATOM 342 CA ALA A 22 -0.555 6.111 -4.023 1.00 34.05 C ATOM 343 C ALA A 22 -0.064 4.712 -3.631 1.00 43.22 C ATOM 344 O ALA A 22 1.128 4.502 -3.422 1.00 73.15 O ATOM 345 CB ALA A 22 -0.512 6.279 -5.538 1.00 42.24 C ATOM 0 H ALA A 22 1.156 7.317 -3.785 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.583 6.202 -3.672 1.00 34.05 H new ATOM 0 HB1 ALA A 22 -1.095 5.488 -6.009 1.00 42.24 H new ATOM 0 HB2 ALA A 22 -0.931 7.248 -5.809 1.00 42.24 H new ATOM 0 HB3 ALA A 22 0.521 6.221 -5.881 1.00 42.24 H new ATOM 351 N ILE A 23 -0.986 3.755 -3.530 1.00 30.24 N ATOM 352 CA ILE A 23 -0.630 2.367 -3.196 1.00 42.14 C ATOM 353 C ILE A 23 -1.126 1.376 -4.265 1.00 4.22 C ATOM 354 O ILE A 23 -2.227 1.514 -4.799 1.00 31.41 O ATOM 355 CB ILE A 23 -1.196 1.946 -1.811 1.00 44.44 C ATOM 356 CG1 ILE A 23 -2.733 2.050 -1.789 1.00 75.14 C ATOM 357 CG2 ILE A 23 -0.576 2.791 -0.696 1.00 54.42 C ATOM 358 CD1 ILE A 23 -3.362 1.565 -0.497 1.00 13.12 C ATOM 0 H ILE A 23 -1.984 3.910 -3.673 1.00 30.24 H new ATOM 0 HA ILE A 23 0.459 2.333 -3.161 1.00 42.14 H new ATOM 0 HB ILE A 23 -0.929 0.904 -1.638 1.00 44.44 H new ATOM 0 HG12 ILE A 23 -3.020 3.089 -1.954 1.00 75.14 H new ATOM 0 HG13 ILE A 23 -3.139 1.472 -2.619 1.00 75.14 H new ATOM 0 HG21 ILE A 23 -0.985 2.481 0.266 1.00 54.42 H new ATOM 0 HG22 ILE A 23 0.505 2.652 -0.692 1.00 54.42 H new ATOM 0 HG23 ILE A 23 -0.806 3.843 -0.866 1.00 54.42 H new ATOM 0 HD11 ILE A 23 -4.445 1.670 -0.558 1.00 13.12 H new ATOM 0 HD12 ILE A 23 -3.107 0.517 -0.339 1.00 13.12 H new ATOM 0 HD13 ILE A 23 -2.986 2.159 0.336 1.00 13.12 H new ATOM 370 N ALA A 24 -0.293 0.386 -4.576 1.00 72.14 N ATOM 371 CA ALA A 24 -0.637 -0.674 -5.538 1.00 63.11 C ATOM 372 C ALA A 24 -0.041 -2.020 -5.096 1.00 1.43 C ATOM 373 O ALA A 24 0.886 -2.057 -4.290 1.00 32.44 O ATOM 374 CB ALA A 24 -0.134 -0.307 -6.932 1.00 70.21 C ATOM 0 H ALA A 24 0.639 0.290 -4.173 1.00 72.14 H new ATOM 0 HA ALA A 24 -1.722 -0.771 -5.570 1.00 63.11 H new ATOM 0 HB1 ALA A 24 -0.395 -1.099 -7.633 1.00 70.21 H new ATOM 0 HB2 ALA A 24 -0.596 0.627 -7.251 1.00 70.21 H new ATOM 0 HB3 ALA A 24 0.949 -0.186 -6.908 1.00 70.21 H new ATOM 380 N VAL A 25 -0.569 -3.126 -5.623 1.00 12.30 N ATOM 381 CA VAL A 25 -0.097 -4.468 -5.238 1.00 52.22 C ATOM 382 C VAL A 25 0.162 -5.369 -6.461 1.00 63.42 C ATOM 383 O VAL A 25 -0.666 -5.458 -7.369 1.00 71.22 O ATOM 384 CB VAL A 25 -1.111 -5.176 -4.297 1.00 41.42 C ATOM 385 CG1 VAL A 25 -0.649 -6.595 -3.961 1.00 3.22 C ATOM 386 CG2 VAL A 25 -1.323 -4.363 -3.021 1.00 72.41 C ATOM 0 H VAL A 25 -1.319 -3.125 -6.314 1.00 12.30 H new ATOM 0 HA VAL A 25 0.845 -4.316 -4.712 1.00 52.22 H new ATOM 0 HB VAL A 25 -2.064 -5.246 -4.822 1.00 41.42 H new ATOM 0 HG11 VAL A 25 -1.376 -7.068 -3.301 1.00 3.22 H new ATOM 0 HG12 VAL A 25 -0.560 -7.176 -4.879 1.00 3.22 H new ATOM 0 HG13 VAL A 25 0.320 -6.554 -3.463 1.00 3.22 H new ATOM 0 HG21 VAL A 25 -2.036 -4.877 -2.377 1.00 72.41 H new ATOM 0 HG22 VAL A 25 -0.373 -4.254 -2.497 1.00 72.41 H new ATOM 0 HG23 VAL A 25 -1.711 -3.377 -3.278 1.00 72.41 H new ATOM 396 N ASP A 26 1.323 -6.032 -6.474 1.00 42.22 N ATOM 397 CA ASP A 26 1.652 -7.027 -7.507 1.00 53.22 C ATOM 398 C ASP A 26 1.601 -8.452 -6.933 1.00 32.34 C ATOM 399 O ASP A 26 2.004 -8.686 -5.790 1.00 5.21 O ATOM 400 CB ASP A 26 3.052 -6.767 -8.092 1.00 52.30 C ATOM 401 CG ASP A 26 3.146 -5.495 -8.920 1.00 34.03 C ATOM 402 OD1 ASP A 26 2.111 -4.842 -9.158 1.00 1.34 O ATOM 403 OD2 ASP A 26 4.268 -5.141 -9.345 1.00 62.40 O ATOM 0 H ASP A 26 2.056 -5.898 -5.778 1.00 42.22 H new ATOM 0 HA ASP A 26 0.909 -6.934 -8.299 1.00 53.22 H new ATOM 0 HB2 ASP A 26 3.772 -6.712 -7.275 1.00 52.30 H new ATOM 0 HB3 ASP A 26 3.339 -7.615 -8.713 1.00 52.30 H new ATOM 408 N GLN A 27 1.110 -9.406 -7.724 1.00 51.51 N ATOM 409 CA GLN A 27 1.053 -10.808 -7.295 1.00 61.14 C ATOM 410 C GLN A 27 2.317 -11.574 -7.733 1.00 43.31 C ATOM 411 O GLN A 27 2.727 -11.515 -8.897 1.00 52.42 O ATOM 412 CB GLN A 27 -0.209 -11.494 -7.847 1.00 44.53 C ATOM 413 CG GLN A 27 -0.251 -11.608 -9.368 1.00 21.23 C ATOM 414 CD GLN A 27 -1.507 -12.301 -9.868 1.00 10.21 C ATOM 415 OE1 GLN A 27 -2.510 -11.663 -10.159 1.00 13.23 O ATOM 416 NE2 GLN A 27 -1.464 -13.616 -9.960 1.00 55.54 N ATOM 0 H GLN A 27 0.747 -9.237 -8.662 1.00 51.51 H new ATOM 0 HA GLN A 27 1.008 -10.823 -6.206 1.00 61.14 H new ATOM 0 HB2 GLN A 27 -0.282 -12.493 -7.418 1.00 44.53 H new ATOM 0 HB3 GLN A 27 -1.085 -10.939 -7.512 1.00 44.53 H new ATOM 0 HG2 GLN A 27 -0.192 -10.611 -9.805 1.00 21.23 H new ATOM 0 HG3 GLN A 27 0.625 -12.159 -9.712 1.00 21.23 H new ATOM 0 HE21 GLN A 27 -0.612 -14.117 -9.709 1.00 55.54 H new ATOM 0 HE22 GLN A 27 -2.283 -14.132 -10.282 1.00 55.54 H new ATOM 425 N ILE A 28 2.936 -12.286 -6.795 1.00 71.51 N ATOM 426 CA ILE A 28 4.150 -13.060 -7.080 1.00 72.54 C ATOM 427 C ILE A 28 3.818 -14.401 -7.761 1.00 23.41 C ATOM 428 O ILE A 28 3.161 -15.267 -7.182 1.00 3.45 O ATOM 429 CB ILE A 28 4.969 -13.323 -5.792 1.00 30.14 C ATOM 430 CG1 ILE A 28 5.355 -11.987 -5.124 1.00 73.43 C ATOM 431 CG2 ILE A 28 6.216 -14.159 -6.102 1.00 11.43 C ATOM 432 CD1 ILE A 28 6.193 -12.148 -3.876 1.00 52.25 C ATOM 0 H ILE A 28 2.619 -12.346 -5.827 1.00 71.51 H new ATOM 0 HA ILE A 28 4.751 -12.460 -7.763 1.00 72.54 H new ATOM 0 HB ILE A 28 4.350 -13.890 -5.097 1.00 30.14 H new ATOM 0 HG12 ILE A 28 5.903 -11.378 -5.842 1.00 73.43 H new ATOM 0 HG13 ILE A 28 4.446 -11.442 -4.872 1.00 73.43 H new ATOM 0 HG21 ILE A 28 6.776 -14.332 -5.183 1.00 11.43 H new ATOM 0 HG22 ILE A 28 5.916 -15.116 -6.529 1.00 11.43 H new ATOM 0 HG23 ILE A 28 6.844 -13.625 -6.815 1.00 11.43 H new ATOM 0 HD11 ILE A 28 6.424 -11.166 -3.464 1.00 52.25 H new ATOM 0 HD12 ILE A 28 5.640 -12.730 -3.139 1.00 52.25 H new ATOM 0 HD13 ILE A 28 7.120 -12.665 -4.124 1.00 52.25 H new ATOM 444 N VAL A 29 4.280 -14.552 -9.000 1.00 41.32 N ATOM 445 CA VAL A 29 4.045 -15.763 -9.797 1.00 5.24 C ATOM 446 C VAL A 29 5.387 -16.384 -10.230 1.00 42.51 C ATOM 447 O VAL A 29 6.425 -15.728 -10.167 1.00 43.12 O ATOM 448 CB VAL A 29 3.200 -15.433 -11.062 1.00 22.12 C ATOM 449 CG1 VAL A 29 2.721 -16.707 -11.763 1.00 43.22 C ATOM 450 CG2 VAL A 29 2.019 -14.529 -10.708 1.00 22.22 C ATOM 0 H VAL A 29 4.828 -13.841 -9.484 1.00 41.32 H new ATOM 0 HA VAL A 29 3.497 -16.474 -9.179 1.00 5.24 H new ATOM 0 HB VAL A 29 3.844 -14.895 -11.758 1.00 22.12 H new ATOM 0 HG11 VAL A 29 2.134 -16.440 -12.642 1.00 43.22 H new ATOM 0 HG12 VAL A 29 3.583 -17.300 -12.069 1.00 43.22 H new ATOM 0 HG13 VAL A 29 2.104 -17.289 -11.078 1.00 43.22 H new ATOM 0 HG21 VAL A 29 1.444 -14.313 -11.608 1.00 22.22 H new ATOM 0 HG22 VAL A 29 1.381 -15.032 -9.982 1.00 22.22 H new ATOM 0 HG23 VAL A 29 2.389 -13.597 -10.281 1.00 22.22 H new ATOM 460 N GLY A 30 5.367 -17.643 -10.669 1.00 52.11 N ATOM 461 CA GLY A 30 6.577 -18.273 -11.201 1.00 41.15 C ATOM 462 C GLY A 30 7.205 -17.482 -12.352 1.00 14.31 C ATOM 463 O GLY A 30 8.402 -17.592 -12.620 1.00 20.33 O ATOM 0 H GLY A 30 4.540 -18.240 -10.668 1.00 52.11 H new ATOM 0 HA2 GLY A 30 7.308 -18.379 -10.399 1.00 41.15 H new ATOM 0 HA3 GLY A 30 6.335 -19.278 -11.547 1.00 41.15 H new ATOM 467 N LYS A 31 6.384 -16.682 -13.031 1.00 12.41 N ATOM 468 CA LYS A 31 6.844 -15.806 -14.114 1.00 74.41 C ATOM 469 C LYS A 31 7.554 -14.548 -13.578 1.00 24.22 C ATOM 470 O LYS A 31 8.368 -13.938 -14.275 1.00 33.02 O ATOM 471 CB LYS A 31 5.642 -15.384 -14.975 1.00 44.05 C ATOM 472 CG LYS A 31 4.926 -16.533 -15.692 1.00 72.14 C ATOM 473 CD LYS A 31 5.520 -16.833 -17.073 1.00 52.42 C ATOM 474 CE LYS A 31 6.935 -17.394 -17.001 1.00 41.03 C ATOM 475 NZ LYS A 31 7.459 -17.747 -18.346 1.00 4.15 N ATOM 0 H LYS A 31 5.382 -16.621 -12.848 1.00 12.41 H new ATOM 0 HA LYS A 31 7.564 -16.366 -14.711 1.00 74.41 H new ATOM 0 HB2 LYS A 31 4.923 -14.867 -14.340 1.00 44.05 H new ATOM 0 HB3 LYS A 31 5.982 -14.666 -15.721 1.00 44.05 H new ATOM 0 HG2 LYS A 31 4.980 -17.430 -15.075 1.00 72.14 H new ATOM 0 HG3 LYS A 31 3.870 -16.285 -15.802 1.00 72.14 H new ATOM 0 HD2 LYS A 31 4.878 -17.545 -17.592 1.00 52.42 H new ATOM 0 HD3 LYS A 31 5.527 -15.919 -17.666 1.00 52.42 H new ATOM 0 HE2 LYS A 31 7.593 -16.660 -16.536 1.00 41.03 H new ATOM 0 HE3 LYS A 31 6.943 -18.279 -16.364 1.00 41.03 H new ATOM 0 HZ1 LYS A 31 8.424 -18.125 -18.255 1.00 4.15 H new ATOM 0 HZ2 LYS A 31 6.845 -18.466 -18.780 1.00 4.15 H new ATOM 0 HZ3 LYS A 31 7.475 -16.898 -18.946 1.00 4.15 H new ATOM 489 N GLY A 32 7.239 -14.172 -12.341 1.00 71.25 N ATOM 490 CA GLY A 32 7.763 -12.941 -11.756 1.00 21.44 C ATOM 491 C GLY A 32 6.727 -12.233 -10.885 1.00 53.20 C ATOM 492 O GLY A 32 6.295 -12.773 -9.865 1.00 23.12 O ATOM 0 H GLY A 32 6.623 -14.702 -11.724 1.00 71.25 H new ATOM 0 HA2 GLY A 32 8.644 -13.171 -11.156 1.00 21.44 H new ATOM 0 HA3 GLY A 32 8.086 -12.270 -12.552 1.00 21.44 H new ATOM 496 N THR A 33 6.317 -11.028 -11.280 1.00 35.31 N ATOM 497 CA THR A 33 5.245 -10.301 -10.575 1.00 4.35 C ATOM 498 C THR A 33 4.256 -9.680 -11.564 1.00 53.32 C ATOM 499 O THR A 33 4.643 -8.957 -12.485 1.00 34.41 O ATOM 500 CB THR A 33 5.780 -9.180 -9.646 1.00 62.32 C ATOM 501 OG1 THR A 33 6.560 -8.232 -10.392 1.00 14.44 O ATOM 502 CG2 THR A 33 6.616 -9.762 -8.508 1.00 41.42 C ATOM 0 H THR A 33 6.705 -10.530 -12.081 1.00 35.31 H new ATOM 0 HA THR A 33 4.745 -11.048 -9.958 1.00 4.35 H new ATOM 0 HB THR A 33 4.920 -8.668 -9.215 1.00 62.32 H new ATOM 0 HG1 THR A 33 6.243 -8.205 -11.319 1.00 14.44 H new ATOM 0 HG21 THR A 33 6.978 -8.954 -7.872 1.00 41.42 H new ATOM 0 HG22 THR A 33 6.002 -10.442 -7.917 1.00 41.42 H new ATOM 0 HG23 THR A 33 7.465 -10.306 -8.922 1.00 41.42 H new ATOM 510 N SER A 34 2.975 -9.966 -11.365 1.00 24.11 N ATOM 511 CA SER A 34 1.913 -9.447 -12.240 1.00 35.14 C ATOM 512 C SER A 34 1.093 -8.366 -11.519 1.00 4.15 C ATOM 513 O SER A 34 0.635 -8.584 -10.397 1.00 24.21 O ATOM 514 CB SER A 34 0.990 -10.591 -12.694 1.00 14.22 C ATOM 515 OG SER A 34 -0.041 -10.127 -13.555 1.00 10.24 O ATOM 0 H SER A 34 2.638 -10.556 -10.604 1.00 24.11 H new ATOM 0 HA SER A 34 2.382 -8.999 -13.116 1.00 35.14 H new ATOM 0 HB2 SER A 34 1.579 -11.351 -13.208 1.00 14.22 H new ATOM 0 HB3 SER A 34 0.547 -11.069 -11.820 1.00 14.22 H new ATOM 0 HG SER A 34 -0.606 -10.881 -13.824 1.00 10.24 H new ATOM 521 N PRO A 35 0.899 -7.186 -12.145 1.00 30.25 N ATOM 522 CA PRO A 35 0.159 -6.068 -11.526 1.00 15.44 C ATOM 523 C PRO A 35 -1.279 -6.451 -11.138 1.00 70.11 C ATOM 524 O PRO A 35 -2.143 -6.630 -11.999 1.00 32.00 O ATOM 525 CB PRO A 35 0.161 -4.979 -12.618 1.00 3.25 C ATOM 526 CG PRO A 35 0.475 -5.703 -13.887 1.00 24.42 C ATOM 527 CD PRO A 35 1.374 -6.844 -13.498 1.00 10.41 C ATOM 0 HA PRO A 35 0.621 -5.748 -10.592 1.00 15.44 H new ATOM 0 HB2 PRO A 35 -0.806 -4.479 -12.678 1.00 3.25 H new ATOM 0 HB3 PRO A 35 0.905 -4.211 -12.408 1.00 3.25 H new ATOM 0 HG2 PRO A 35 -0.435 -6.067 -14.364 1.00 24.42 H new ATOM 0 HG3 PRO A 35 0.968 -5.044 -14.602 1.00 24.42 H new ATOM 0 HD2 PRO A 35 1.280 -7.685 -14.185 1.00 10.41 H new ATOM 0 HD3 PRO A 35 2.424 -6.550 -13.496 1.00 10.41 H new ATOM 535 N LEU A 36 -1.526 -6.595 -9.839 1.00 62.30 N ATOM 536 CA LEU A 36 -2.846 -6.992 -9.341 1.00 64.32 C ATOM 537 C LEU A 36 -3.786 -5.781 -9.231 1.00 25.33 C ATOM 538 O LEU A 36 -4.862 -5.757 -9.833 1.00 53.51 O ATOM 539 CB LEU A 36 -2.712 -7.677 -7.970 1.00 0.23 C ATOM 540 CG LEU A 36 -4.009 -8.273 -7.395 1.00 11.11 C ATOM 541 CD1 LEU A 36 -4.497 -9.433 -8.258 1.00 43.24 C ATOM 542 CD2 LEU A 36 -3.810 -8.719 -5.948 1.00 35.22 C ATOM 0 H LEU A 36 -0.830 -6.443 -9.109 1.00 62.30 H new ATOM 0 HA LEU A 36 -3.277 -7.695 -10.054 1.00 64.32 H new ATOM 0 HB2 LEU A 36 -1.973 -8.474 -8.053 1.00 0.23 H new ATOM 0 HB3 LEU A 36 -2.320 -6.951 -7.258 1.00 0.23 H new ATOM 0 HG LEU A 36 -4.773 -7.496 -7.405 1.00 11.11 H new ATOM 0 HD11 LEU A 36 -5.415 -9.841 -7.834 1.00 43.24 H new ATOM 0 HD12 LEU A 36 -4.691 -9.077 -9.270 1.00 43.24 H new ATOM 0 HD13 LEU A 36 -3.734 -10.211 -8.287 1.00 43.24 H new ATOM 0 HD21 LEU A 36 -4.741 -9.137 -5.565 1.00 35.22 H new ATOM 0 HD22 LEU A 36 -3.028 -9.477 -5.905 1.00 35.22 H new ATOM 0 HD23 LEU A 36 -3.519 -7.862 -5.340 1.00 35.22 H new ATOM 554 N THR A 37 -3.371 -4.776 -8.462 1.00 53.52 N ATOM 555 CA THR A 37 -4.181 -3.565 -8.254 1.00 54.50 C ATOM 556 C THR A 37 -3.454 -2.310 -8.755 1.00 74.22 C ATOM 557 O THR A 37 -2.224 -2.244 -8.746 1.00 0.50 O ATOM 558 CB THR A 37 -4.534 -3.362 -6.760 1.00 12.42 C ATOM 559 OG1 THR A 37 -3.342 -3.122 -5.996 1.00 14.51 O ATOM 560 CG2 THR A 37 -5.265 -4.577 -6.194 1.00 35.24 C ATOM 0 H THR A 37 -2.478 -4.771 -7.970 1.00 53.52 H new ATOM 0 HA THR A 37 -5.097 -3.710 -8.826 1.00 54.50 H new ATOM 0 HB THR A 37 -5.193 -2.497 -6.689 1.00 12.42 H new ATOM 0 HG1 THR A 37 -3.578 -2.993 -5.054 1.00 14.51 H new ATOM 0 HG21 THR A 37 -5.499 -4.404 -5.144 1.00 35.24 H new ATOM 0 HG22 THR A 37 -6.189 -4.738 -6.750 1.00 35.24 H new ATOM 0 HG23 THR A 37 -4.630 -5.458 -6.284 1.00 35.24 H new ATOM 568 N SER A 38 -4.227 -1.314 -9.190 1.00 53.55 N ATOM 569 CA SER A 38 -3.664 -0.036 -9.653 1.00 35.15 C ATOM 570 C SER A 38 -3.307 0.880 -8.474 1.00 54.12 C ATOM 571 O SER A 38 -3.613 0.576 -7.321 1.00 61.44 O ATOM 572 CB SER A 38 -4.651 0.686 -10.584 1.00 13.22 C ATOM 573 OG SER A 38 -4.108 1.914 -11.053 1.00 14.33 O ATOM 0 H SER A 38 -5.245 -1.363 -9.233 1.00 53.55 H new ATOM 0 HA SER A 38 -2.751 -0.264 -10.203 1.00 35.15 H new ATOM 0 HB2 SER A 38 -4.892 0.044 -11.431 1.00 13.22 H new ATOM 0 HB3 SER A 38 -5.584 0.876 -10.053 1.00 13.22 H new ATOM 0 HG SER A 38 -4.755 2.353 -11.644 1.00 14.33 H new ATOM 579 N TYR A 39 -2.673 2.010 -8.777 1.00 72.15 N ATOM 580 CA TYR A 39 -2.225 2.955 -7.747 1.00 14.24 C ATOM 581 C TYR A 39 -3.386 3.809 -7.209 1.00 41.01 C ATOM 582 O TYR A 39 -3.859 4.725 -7.884 1.00 5.41 O ATOM 583 CB TYR A 39 -1.122 3.866 -8.310 1.00 42.23 C ATOM 584 CG TYR A 39 0.168 3.138 -8.651 1.00 60.22 C ATOM 585 CD1 TYR A 39 0.301 2.427 -9.841 1.00 13.40 C ATOM 586 CD2 TYR A 39 1.253 3.166 -7.780 1.00 13.43 C ATOM 587 CE1 TYR A 39 1.477 1.768 -10.151 1.00 31.45 C ATOM 588 CE2 TYR A 39 2.430 2.509 -8.084 1.00 34.24 C ATOM 589 CZ TYR A 39 2.537 1.811 -9.270 1.00 23.25 C ATOM 590 OH TYR A 39 3.712 1.161 -9.581 1.00 21.43 O ATOM 0 H TYR A 39 -2.455 2.298 -9.731 1.00 72.15 H new ATOM 0 HA TYR A 39 -1.829 2.372 -6.916 1.00 14.24 H new ATOM 0 HB2 TYR A 39 -1.496 4.360 -9.207 1.00 42.23 H new ATOM 0 HB3 TYR A 39 -0.904 4.648 -7.582 1.00 42.23 H new ATOM 0 HD1 TYR A 39 -0.527 2.390 -10.533 1.00 13.40 H new ATOM 0 HD2 TYR A 39 1.174 3.710 -6.851 1.00 13.43 H new ATOM 0 HE1 TYR A 39 1.565 1.222 -11.079 1.00 31.45 H new ATOM 0 HE2 TYR A 39 3.262 2.541 -7.397 1.00 34.24 H new ATOM 0 HH TYR A 39 4.359 1.290 -8.856 1.00 21.43 H new ATOM 600 N PHE A 40 -3.849 3.494 -5.999 1.00 2.41 N ATOM 601 CA PHE A 40 -4.899 4.280 -5.334 1.00 43.51 C ATOM 602 C PHE A 40 -4.298 5.519 -4.645 1.00 22.52 C ATOM 603 O PHE A 40 -3.503 5.392 -3.712 1.00 22.52 O ATOM 604 CB PHE A 40 -5.639 3.416 -4.298 1.00 41.51 C ATOM 605 CG PHE A 40 -6.194 2.128 -4.857 1.00 13.50 C ATOM 606 CD1 PHE A 40 -7.278 2.139 -5.725 1.00 73.03 C ATOM 607 CD2 PHE A 40 -5.633 0.905 -4.513 1.00 32.51 C ATOM 608 CE1 PHE A 40 -7.787 0.960 -6.236 1.00 4.02 C ATOM 609 CE2 PHE A 40 -6.139 -0.276 -5.022 1.00 0.42 C ATOM 610 CZ PHE A 40 -7.216 -0.248 -5.885 1.00 14.04 C ATOM 0 H PHE A 40 -3.515 2.699 -5.455 1.00 2.41 H new ATOM 0 HA PHE A 40 -5.607 4.611 -6.094 1.00 43.51 H new ATOM 0 HB2 PHE A 40 -4.956 3.181 -3.481 1.00 41.51 H new ATOM 0 HB3 PHE A 40 -6.457 3.998 -3.872 1.00 41.51 H new ATOM 0 HD1 PHE A 40 -7.729 3.080 -6.004 1.00 73.03 H new ATOM 0 HD2 PHE A 40 -4.790 0.876 -3.839 1.00 32.51 H new ATOM 0 HE1 PHE A 40 -8.631 0.983 -6.910 1.00 4.02 H new ATOM 0 HE2 PHE A 40 -5.692 -1.220 -4.745 1.00 0.42 H new ATOM 0 HZ PHE A 40 -7.612 -1.170 -6.285 1.00 14.04 H new ATOM 620 N PHE A 41 -4.686 6.710 -5.102 1.00 1.44 N ATOM 621 CA PHE A 41 -4.091 7.961 -4.609 1.00 42.01 C ATOM 622 C PHE A 41 -4.732 8.447 -3.294 1.00 61.51 C ATOM 623 O PHE A 41 -5.832 8.992 -3.286 1.00 22.30 O ATOM 624 CB PHE A 41 -4.212 9.060 -5.675 1.00 42.31 C ATOM 625 CG PHE A 41 -3.455 8.761 -6.950 1.00 21.11 C ATOM 626 CD1 PHE A 41 -4.059 8.067 -7.989 1.00 1.13 C ATOM 627 CD2 PHE A 41 -2.141 9.177 -7.106 1.00 35.35 C ATOM 628 CE1 PHE A 41 -3.368 7.795 -9.156 1.00 43.22 C ATOM 629 CE2 PHE A 41 -1.446 8.908 -8.270 1.00 45.33 C ATOM 630 CZ PHE A 41 -2.059 8.216 -9.295 1.00 33.14 C ATOM 0 H PHE A 41 -5.408 6.839 -5.811 1.00 1.44 H new ATOM 0 HA PHE A 41 -3.041 7.751 -4.403 1.00 42.01 H new ATOM 0 HB2 PHE A 41 -5.265 9.206 -5.915 1.00 42.31 H new ATOM 0 HB3 PHE A 41 -3.847 9.999 -5.258 1.00 42.31 H new ATOM 0 HD1 PHE A 41 -5.081 7.735 -7.885 1.00 1.13 H new ATOM 0 HD2 PHE A 41 -1.655 9.718 -6.308 1.00 35.35 H new ATOM 0 HE1 PHE A 41 -3.850 7.255 -9.957 1.00 43.22 H new ATOM 0 HE2 PHE A 41 -0.424 9.239 -8.378 1.00 45.33 H new ATOM 0 HZ PHE A 41 -1.516 8.004 -10.204 1.00 33.14 H new ATOM 640 N TRP A 42 -4.025 8.255 -2.188 1.00 51.32 N ATOM 641 CA TRP A 42 -4.448 8.770 -0.879 1.00 42.30 C ATOM 642 C TRP A 42 -3.911 10.205 -0.667 1.00 64.23 C ATOM 643 O TRP A 42 -2.761 10.494 -0.998 1.00 71.32 O ATOM 644 CB TRP A 42 -3.947 7.809 0.222 1.00 70.20 C ATOM 645 CG TRP A 42 -4.002 8.351 1.626 1.00 50.12 C ATOM 646 CD1 TRP A 42 -2.959 8.880 2.327 1.00 34.10 C ATOM 647 CD2 TRP A 42 -5.137 8.402 2.506 1.00 3.42 C ATOM 648 NE1 TRP A 42 -3.363 9.259 3.573 1.00 34.41 N ATOM 649 CE2 TRP A 42 -4.695 8.980 3.713 1.00 4.34 C ATOM 650 CE3 TRP A 42 -6.480 8.018 2.395 1.00 41.23 C ATOM 651 CZ2 TRP A 42 -5.544 9.188 4.795 1.00 40.42 C ATOM 652 CZ3 TRP A 42 -7.323 8.227 3.474 1.00 15.41 C ATOM 653 CH2 TRP A 42 -6.851 8.804 4.661 1.00 53.44 C ATOM 0 H TRP A 42 -3.144 7.741 -2.166 1.00 51.32 H new ATOM 0 HA TRP A 42 -5.536 8.821 -0.832 1.00 42.30 H new ATOM 0 HB2 TRP A 42 -4.539 6.895 0.180 1.00 70.20 H new ATOM 0 HB3 TRP A 42 -2.917 7.532 -0.002 1.00 70.20 H new ATOM 0 HD1 TRP A 42 -1.953 8.984 1.948 1.00 34.10 H new ATOM 0 HE1 TRP A 42 -2.768 9.682 4.285 1.00 34.41 H new ATOM 0 HE3 TRP A 42 -6.851 7.568 1.486 1.00 41.23 H new ATOM 0 HZ2 TRP A 42 -5.184 9.637 5.709 1.00 40.42 H new ATOM 0 HZ3 TRP A 42 -8.362 7.941 3.399 1.00 15.41 H new ATOM 0 HH2 TRP A 42 -7.532 8.949 5.486 1.00 53.44 H new ATOM 664 N PRO A 43 -4.732 11.143 -0.135 1.00 4.33 N ATOM 665 CA PRO A 43 -6.130 10.911 0.254 1.00 31.34 C ATOM 666 C PRO A 43 -7.154 11.312 -0.830 1.00 30.15 C ATOM 667 O PRO A 43 -8.326 11.550 -0.532 1.00 14.22 O ATOM 668 CB PRO A 43 -6.249 11.827 1.474 1.00 60.31 C ATOM 669 CG PRO A 43 -5.389 13.010 1.143 1.00 15.41 C ATOM 670 CD PRO A 43 -4.329 12.528 0.169 1.00 3.43 C ATOM 0 HA PRO A 43 -6.348 9.858 0.430 1.00 31.34 H new ATOM 0 HB2 PRO A 43 -7.283 12.125 1.647 1.00 60.31 H new ATOM 0 HB3 PRO A 43 -5.905 11.328 2.380 1.00 60.31 H new ATOM 0 HG2 PRO A 43 -5.985 13.808 0.701 1.00 15.41 H new ATOM 0 HG3 PRO A 43 -4.929 13.417 2.044 1.00 15.41 H new ATOM 0 HD2 PRO A 43 -4.303 13.143 -0.730 1.00 3.43 H new ATOM 0 HD3 PRO A 43 -3.333 12.567 0.611 1.00 3.43 H new ATOM 678 N ARG A 44 -6.713 11.373 -2.086 1.00 34.20 N ATOM 679 CA ARG A 44 -7.595 11.746 -3.202 1.00 33.31 C ATOM 680 C ARG A 44 -8.566 10.610 -3.583 1.00 52.30 C ATOM 681 O ARG A 44 -9.465 10.788 -4.411 1.00 32.34 O ATOM 682 CB ARG A 44 -6.757 12.173 -4.413 1.00 71.34 C ATOM 683 CG ARG A 44 -6.095 13.541 -4.240 1.00 41.53 C ATOM 684 CD ARG A 44 -7.139 14.649 -4.106 1.00 53.14 C ATOM 685 NE ARG A 44 -8.021 14.691 -5.273 1.00 70.24 N ATOM 686 CZ ARG A 44 -9.326 14.752 -5.223 1.00 35.44 C ATOM 687 NH1 ARG A 44 -9.956 14.763 -4.090 1.00 12.41 N ATOM 688 NH2 ARG A 44 -9.998 14.790 -6.326 1.00 62.12 N ATOM 0 H ARG A 44 -5.752 11.170 -2.361 1.00 34.20 H new ATOM 0 HA ARG A 44 -8.206 12.587 -2.874 1.00 33.31 H new ATOM 0 HB2 ARG A 44 -5.986 11.424 -4.594 1.00 71.34 H new ATOM 0 HB3 ARG A 44 -7.394 12.195 -5.297 1.00 71.34 H new ATOM 0 HG2 ARG A 44 -5.458 13.530 -3.356 1.00 41.53 H new ATOM 0 HG3 ARG A 44 -5.451 13.747 -5.095 1.00 41.53 H new ATOM 0 HD2 ARG A 44 -7.731 14.487 -3.205 1.00 53.14 H new ATOM 0 HD3 ARG A 44 -6.639 15.611 -3.990 1.00 53.14 H new ATOM 0 HE ARG A 44 -7.585 14.671 -6.195 1.00 70.24 H new ATOM 0 HH11 ARG A 44 -9.433 14.724 -3.215 1.00 12.41 H new ATOM 0 HH12 ARG A 44 -10.975 14.811 -4.073 1.00 12.41 H new ATOM 0 HH21 ARG A 44 -9.510 14.772 -7.221 1.00 62.12 H new ATOM 0 HH22 ARG A 44 -11.017 14.838 -6.301 1.00 62.12 H new ATOM 702 N ALA A 45 -8.365 9.448 -2.976 1.00 15.14 N ATOM 703 CA ALA A 45 -9.260 8.304 -3.136 1.00 72.42 C ATOM 704 C ALA A 45 -9.179 7.389 -1.907 1.00 12.51 C ATOM 705 O ALA A 45 -8.162 7.368 -1.209 1.00 65.32 O ATOM 706 CB ALA A 45 -8.912 7.528 -4.404 1.00 73.12 C ATOM 0 H ALA A 45 -7.575 9.269 -2.356 1.00 15.14 H new ATOM 0 HA ALA A 45 -10.282 8.672 -3.228 1.00 72.42 H new ATOM 0 HB1 ALA A 45 -9.588 6.679 -4.508 1.00 73.12 H new ATOM 0 HB2 ALA A 45 -9.014 8.182 -5.270 1.00 73.12 H new ATOM 0 HB3 ALA A 45 -7.885 7.168 -4.340 1.00 73.12 H new ATOM 712 N ASP A 46 -10.248 6.646 -1.636 1.00 72.53 N ATOM 713 CA ASP A 46 -10.267 5.711 -0.509 1.00 2.13 C ATOM 714 C ASP A 46 -9.280 4.551 -0.740 1.00 34.12 C ATOM 715 O ASP A 46 -9.647 3.483 -1.229 1.00 30.34 O ATOM 716 CB ASP A 46 -11.690 5.189 -0.289 1.00 1.03 C ATOM 717 CG ASP A 46 -12.664 6.318 -0.014 1.00 61.40 C ATOM 718 OD1 ASP A 46 -12.841 6.684 1.168 1.00 65.00 O ATOM 719 OD2 ASP A 46 -13.250 6.858 -0.978 1.00 62.22 O ATOM 0 H ASP A 46 -11.112 6.671 -2.178 1.00 72.53 H new ATOM 0 HA ASP A 46 -9.948 6.239 0.390 1.00 2.13 H new ATOM 0 HB2 ASP A 46 -12.015 4.634 -1.169 1.00 1.03 H new ATOM 0 HB3 ASP A 46 -11.696 4.491 0.548 1.00 1.03 H new ATOM 724 N ALA A 47 -8.016 4.796 -0.399 1.00 32.42 N ATOM 725 CA ALA A 47 -6.926 3.857 -0.678 1.00 50.31 C ATOM 726 C ALA A 47 -7.129 2.484 -0.018 1.00 52.12 C ATOM 727 O ALA A 47 -7.310 1.478 -0.708 1.00 64.03 O ATOM 728 CB ALA A 47 -5.598 4.464 -0.241 1.00 73.34 C ATOM 0 H ALA A 47 -7.717 5.647 0.077 1.00 32.42 H new ATOM 0 HA ALA A 47 -6.921 3.684 -1.754 1.00 50.31 H new ATOM 0 HB1 ALA A 47 -4.791 3.762 -0.450 1.00 73.34 H new ATOM 0 HB2 ALA A 47 -5.424 5.391 -0.788 1.00 73.34 H new ATOM 0 HB3 ALA A 47 -5.628 4.674 0.828 1.00 73.34 H new ATOM 734 N TRP A 48 -7.101 2.444 1.313 1.00 61.43 N ATOM 735 CA TRP A 48 -7.190 1.176 2.051 1.00 54.44 C ATOM 736 C TRP A 48 -8.526 0.459 1.784 1.00 73.23 C ATOM 737 O TRP A 48 -8.571 -0.765 1.633 1.00 4.15 O ATOM 738 CB TRP A 48 -7.012 1.419 3.558 1.00 14.35 C ATOM 739 CG TRP A 48 -6.868 0.155 4.357 1.00 2.21 C ATOM 740 CD1 TRP A 48 -5.760 -0.639 4.432 1.00 15.53 C ATOM 741 CD2 TRP A 48 -7.859 -0.458 5.194 1.00 31.23 C ATOM 742 NE1 TRP A 48 -6.002 -1.707 5.259 1.00 54.24 N ATOM 743 CE2 TRP A 48 -7.280 -1.617 5.741 1.00 43.02 C ATOM 744 CE3 TRP A 48 -9.176 -0.136 5.534 1.00 41.34 C ATOM 745 CZ2 TRP A 48 -7.974 -2.459 6.608 1.00 55.30 C ATOM 746 CZ3 TRP A 48 -9.864 -0.972 6.396 1.00 4.44 C ATOM 747 CH2 TRP A 48 -9.261 -2.121 6.924 1.00 0.12 C ATOM 0 H TRP A 48 -7.018 3.270 1.905 1.00 61.43 H new ATOM 0 HA TRP A 48 -6.386 0.531 1.696 1.00 54.44 H new ATOM 0 HB2 TRP A 48 -6.131 2.041 3.716 1.00 14.35 H new ATOM 0 HB3 TRP A 48 -7.869 1.979 3.931 1.00 14.35 H new ATOM 0 HD1 TRP A 48 -4.829 -0.454 3.916 1.00 15.53 H new ATOM 0 HE1 TRP A 48 -5.337 -2.448 5.479 1.00 54.24 H new ATOM 0 HE3 TRP A 48 -9.648 0.748 5.132 1.00 41.34 H new ATOM 0 HZ2 TRP A 48 -7.512 -3.346 7.016 1.00 55.30 H new ATOM 0 HZ3 TRP A 48 -10.882 -0.735 6.666 1.00 4.44 H new ATOM 0 HH2 TRP A 48 -9.824 -2.753 7.595 1.00 0.12 H new ATOM 758 N GLN A 49 -9.608 1.228 1.711 1.00 22.54 N ATOM 759 CA GLN A 49 -10.941 0.674 1.457 1.00 33.25 C ATOM 760 C GLN A 49 -11.022 0.011 0.071 1.00 1.14 C ATOM 761 O GLN A 49 -11.418 -1.148 -0.051 1.00 60.43 O ATOM 762 CB GLN A 49 -12.010 1.770 1.580 1.00 22.03 C ATOM 763 CG GLN A 49 -13.440 1.266 1.364 1.00 34.24 C ATOM 764 CD GLN A 49 -13.872 0.220 2.386 1.00 74.45 C ATOM 765 OE1 GLN A 49 -14.647 -0.680 2.078 1.00 23.51 O ATOM 766 NE2 GLN A 49 -13.412 0.349 3.616 1.00 30.42 N ATOM 0 H GLN A 49 -9.591 2.242 1.824 1.00 22.54 H new ATOM 0 HA GLN A 49 -11.128 -0.093 2.209 1.00 33.25 H new ATOM 0 HB2 GLN A 49 -11.940 2.223 2.569 1.00 22.03 H new ATOM 0 HB3 GLN A 49 -11.798 2.555 0.854 1.00 22.03 H new ATOM 0 HG2 GLN A 49 -14.126 2.112 1.408 1.00 34.24 H new ATOM 0 HG3 GLN A 49 -13.521 0.841 0.363 1.00 34.24 H new ATOM 0 HE21 GLN A 49 -12.769 1.107 3.843 1.00 30.42 H new ATOM 0 HE22 GLN A 49 -13.700 -0.310 4.340 1.00 30.42 H new ATOM 775 N GLN A 50 -10.641 0.749 -0.971 1.00 53.43 N ATOM 776 CA GLN A 50 -10.650 0.213 -2.336 1.00 13.32 C ATOM 777 C GLN A 50 -9.662 -0.956 -2.490 1.00 42.54 C ATOM 778 O GLN A 50 -9.899 -1.882 -3.270 1.00 12.01 O ATOM 779 CB GLN A 50 -10.325 1.321 -3.348 1.00 74.02 C ATOM 780 CG GLN A 50 -11.411 2.392 -3.452 1.00 41.50 C ATOM 781 CD GLN A 50 -11.017 3.564 -4.340 1.00 31.12 C ATOM 782 OE1 GLN A 50 -11.856 4.174 -4.995 1.00 31.24 O ATOM 783 NE2 GLN A 50 -9.747 3.912 -4.349 1.00 54.40 N ATOM 0 H GLN A 50 -10.323 1.716 -0.899 1.00 53.43 H new ATOM 0 HA GLN A 50 -11.652 -0.168 -2.536 1.00 13.32 H new ATOM 0 HB2 GLN A 50 -9.385 1.795 -3.066 1.00 74.02 H new ATOM 0 HB3 GLN A 50 -10.174 0.872 -4.330 1.00 74.02 H new ATOM 0 HG2 GLN A 50 -12.322 1.939 -3.843 1.00 41.50 H new ATOM 0 HG3 GLN A 50 -11.642 2.763 -2.454 1.00 41.50 H new ATOM 0 HE21 GLN A 50 -9.070 3.387 -3.795 1.00 54.40 H new ATOM 0 HE22 GLN A 50 -9.440 4.706 -4.910 1.00 54.40 H new ATOM 792 N LEU A 51 -8.558 -0.909 -1.742 1.00 65.02 N ATOM 793 CA LEU A 51 -7.567 -1.988 -1.756 1.00 61.21 C ATOM 794 C LEU A 51 -8.152 -3.288 -1.182 1.00 10.11 C ATOM 795 O LEU A 51 -8.114 -4.338 -1.830 1.00 21.13 O ATOM 796 CB LEU A 51 -6.315 -1.578 -0.968 1.00 4.42 C ATOM 797 CG LEU A 51 -5.212 -2.648 -0.875 1.00 41.41 C ATOM 798 CD1 LEU A 51 -4.739 -3.067 -2.266 1.00 55.54 C ATOM 799 CD2 LEU A 51 -4.040 -2.145 -0.034 1.00 22.45 C ATOM 0 H LEU A 51 -8.327 -0.135 -1.119 1.00 65.02 H new ATOM 0 HA LEU A 51 -7.287 -2.170 -2.794 1.00 61.21 H new ATOM 0 HB2 LEU A 51 -5.893 -0.685 -1.429 1.00 4.42 H new ATOM 0 HB3 LEU A 51 -6.617 -1.303 0.043 1.00 4.42 H new ATOM 0 HG LEU A 51 -5.633 -3.525 -0.383 1.00 41.41 H new ATOM 0 HD11 LEU A 51 -3.960 -3.824 -2.173 1.00 55.54 H new ATOM 0 HD12 LEU A 51 -5.578 -3.478 -2.827 1.00 55.54 H new ATOM 0 HD13 LEU A 51 -4.341 -2.199 -2.792 1.00 55.54 H new ATOM 0 HD21 LEU A 51 -3.272 -2.917 0.019 1.00 22.45 H new ATOM 0 HD22 LEU A 51 -3.622 -1.248 -0.492 1.00 22.45 H new ATOM 0 HD23 LEU A 51 -4.388 -1.911 0.972 1.00 22.45 H new ATOM 811 N LYS A 52 -8.703 -3.218 0.032 1.00 24.02 N ATOM 812 CA LYS A 52 -9.306 -4.398 0.659 1.00 43.22 C ATOM 813 C LYS A 52 -10.504 -4.899 -0.161 1.00 20.43 C ATOM 814 O LYS A 52 -10.708 -6.100 -0.289 1.00 53.30 O ATOM 815 CB LYS A 52 -9.726 -4.113 2.112 1.00 64.55 C ATOM 816 CG LYS A 52 -10.844 -3.085 2.260 1.00 12.44 C ATOM 817 CD LYS A 52 -11.227 -2.861 3.723 1.00 31.24 C ATOM 818 CE LYS A 52 -11.739 -4.139 4.382 1.00 0.44 C ATOM 819 NZ LYS A 52 -12.968 -4.657 3.720 1.00 72.41 N ATOM 0 H LYS A 52 -8.745 -2.369 0.595 1.00 24.02 H new ATOM 0 HA LYS A 52 -8.549 -5.182 0.680 1.00 43.22 H new ATOM 0 HB2 LYS A 52 -10.046 -5.047 2.574 1.00 64.55 H new ATOM 0 HB3 LYS A 52 -8.855 -3.765 2.667 1.00 64.55 H new ATOM 0 HG2 LYS A 52 -10.528 -2.140 1.819 1.00 12.44 H new ATOM 0 HG3 LYS A 52 -11.720 -3.419 1.703 1.00 12.44 H new ATOM 0 HD2 LYS A 52 -10.361 -2.492 4.272 1.00 31.24 H new ATOM 0 HD3 LYS A 52 -11.995 -2.090 3.783 1.00 31.24 H new ATOM 0 HE2 LYS A 52 -10.961 -4.901 4.347 1.00 0.44 H new ATOM 0 HE3 LYS A 52 -11.949 -3.945 5.434 1.00 0.44 H new ATOM 0 HZ1 LYS A 52 -13.367 -5.432 4.287 1.00 72.41 H new ATOM 0 HZ2 LYS A 52 -13.668 -3.892 3.639 1.00 72.41 H new ATOM 0 HZ3 LYS A 52 -12.729 -5.009 2.771 1.00 72.41 H new ATOM 833 N ASP A 53 -11.281 -3.972 -0.724 1.00 53.31 N ATOM 834 CA ASP A 53 -12.394 -4.324 -1.615 1.00 4.24 C ATOM 835 C ASP A 53 -11.890 -5.112 -2.839 1.00 31.20 C ATOM 836 O ASP A 53 -12.476 -6.128 -3.228 1.00 24.10 O ATOM 837 CB ASP A 53 -13.122 -3.049 -2.059 1.00 42.11 C ATOM 838 CG ASP A 53 -14.238 -3.328 -3.052 1.00 44.14 C ATOM 839 OD1 ASP A 53 -15.329 -3.765 -2.626 1.00 31.42 O ATOM 840 OD2 ASP A 53 -14.031 -3.112 -4.265 1.00 23.12 O ATOM 0 H ASP A 53 -11.162 -2.969 -0.580 1.00 53.31 H new ATOM 0 HA ASP A 53 -13.090 -4.962 -1.071 1.00 4.24 H new ATOM 0 HB2 ASP A 53 -13.536 -2.548 -1.184 1.00 42.11 H new ATOM 0 HB3 ASP A 53 -12.404 -2.363 -2.509 1.00 42.11 H new ATOM 845 N GLU A 54 -10.792 -4.638 -3.430 1.00 71.55 N ATOM 846 CA GLU A 54 -10.145 -5.323 -4.555 1.00 65.54 C ATOM 847 C GLU A 54 -9.752 -6.762 -4.191 1.00 40.11 C ATOM 848 O GLU A 54 -9.804 -7.660 -5.029 1.00 32.21 O ATOM 849 CB GLU A 54 -8.898 -4.538 -5.010 1.00 31.33 C ATOM 850 CG GLU A 54 -9.141 -3.616 -6.201 1.00 61.54 C ATOM 851 CD GLU A 54 -9.367 -4.389 -7.491 1.00 13.04 C ATOM 852 OE1 GLU A 54 -8.413 -5.034 -7.973 1.00 15.33 O ATOM 853 OE2 GLU A 54 -10.497 -4.384 -8.019 1.00 33.52 O ATOM 0 H GLU A 54 -10.327 -3.775 -3.147 1.00 71.55 H new ATOM 0 HA GLU A 54 -10.865 -5.368 -5.373 1.00 65.54 H new ATOM 0 HB2 GLU A 54 -8.531 -3.944 -4.173 1.00 31.33 H new ATOM 0 HB3 GLU A 54 -8.110 -5.246 -5.267 1.00 31.33 H new ATOM 0 HG2 GLU A 54 -10.008 -2.987 -6.000 1.00 61.54 H new ATOM 0 HG3 GLU A 54 -8.286 -2.951 -6.323 1.00 61.54 H new ATOM 860 N LEU A 55 -9.355 -6.970 -2.939 1.00 50.43 N ATOM 861 CA LEU A 55 -8.951 -8.296 -2.461 1.00 24.45 C ATOM 862 C LEU A 55 -10.163 -9.152 -2.057 1.00 72.32 C ATOM 863 O LEU A 55 -10.186 -10.356 -2.297 1.00 23.21 O ATOM 864 CB LEU A 55 -7.974 -8.152 -1.285 1.00 24.11 C ATOM 865 CG LEU A 55 -6.687 -7.371 -1.606 1.00 10.21 C ATOM 866 CD1 LEU A 55 -5.798 -7.266 -0.371 1.00 5.43 C ATOM 867 CD2 LEU A 55 -5.934 -8.025 -2.767 1.00 62.43 C ATOM 0 H LEU A 55 -9.303 -6.237 -2.232 1.00 50.43 H new ATOM 0 HA LEU A 55 -8.452 -8.812 -3.281 1.00 24.45 H new ATOM 0 HB2 LEU A 55 -8.488 -7.655 -0.463 1.00 24.11 H new ATOM 0 HB3 LEU A 55 -7.700 -9.147 -0.935 1.00 24.11 H new ATOM 0 HG LEU A 55 -6.965 -6.362 -1.909 1.00 10.21 H new ATOM 0 HD11 LEU A 55 -4.894 -6.710 -0.620 1.00 5.43 H new ATOM 0 HD12 LEU A 55 -6.336 -6.747 0.422 1.00 5.43 H new ATOM 0 HD13 LEU A 55 -5.528 -8.266 -0.031 1.00 5.43 H new ATOM 0 HD21 LEU A 55 -5.027 -7.458 -2.978 1.00 62.43 H new ATOM 0 HD22 LEU A 55 -5.668 -9.047 -2.498 1.00 62.43 H new ATOM 0 HD23 LEU A 55 -6.569 -8.036 -3.653 1.00 62.43 H new ATOM 879 N GLU A 56 -11.173 -8.523 -1.462 1.00 25.43 N ATOM 880 CA GLU A 56 -12.387 -9.231 -1.028 1.00 3.00 C ATOM 881 C GLU A 56 -13.171 -9.800 -2.219 1.00 72.25 C ATOM 882 O GLU A 56 -13.726 -10.897 -2.144 1.00 61.11 O ATOM 883 CB GLU A 56 -13.284 -8.294 -0.204 1.00 13.44 C ATOM 884 CG GLU A 56 -12.697 -7.907 1.150 1.00 2.10 C ATOM 885 CD GLU A 56 -12.564 -9.095 2.090 1.00 23.50 C ATOM 886 OE1 GLU A 56 -13.525 -9.369 2.842 1.00 30.41 O ATOM 887 OE2 GLU A 56 -11.507 -9.754 2.085 1.00 62.22 O ATOM 0 H GLU A 56 -11.180 -7.522 -1.266 1.00 25.43 H new ATOM 0 HA GLU A 56 -12.074 -10.069 -0.406 1.00 3.00 H new ATOM 0 HB2 GLU A 56 -13.472 -7.388 -0.780 1.00 13.44 H new ATOM 0 HB3 GLU A 56 -14.248 -8.777 -0.046 1.00 13.44 H new ATOM 0 HG2 GLU A 56 -11.717 -7.455 1.001 1.00 2.10 H new ATOM 0 HG3 GLU A 56 -13.330 -7.150 1.614 1.00 2.10 H new ATOM 894 N ALA A 57 -13.223 -9.049 -3.317 1.00 63.51 N ATOM 895 CA ALA A 57 -13.885 -9.519 -4.540 1.00 13.41 C ATOM 896 C ALA A 57 -13.159 -10.733 -5.143 1.00 1.24 C ATOM 897 O ALA A 57 -13.770 -11.582 -5.792 1.00 73.55 O ATOM 898 CB ALA A 57 -13.967 -8.390 -5.561 1.00 2.34 C ATOM 0 H ALA A 57 -12.818 -8.116 -3.389 1.00 63.51 H new ATOM 0 HA ALA A 57 -14.894 -9.834 -4.274 1.00 13.41 H new ATOM 0 HB1 ALA A 57 -14.460 -8.751 -6.464 1.00 2.34 H new ATOM 0 HB2 ALA A 57 -14.538 -7.561 -5.142 1.00 2.34 H new ATOM 0 HB3 ALA A 57 -12.962 -8.049 -5.808 1.00 2.34 H new ATOM 904 N LYS A 58 -11.851 -10.808 -4.915 1.00 2.31 N ATOM 905 CA LYS A 58 -11.035 -11.916 -5.419 1.00 2.24 C ATOM 906 C LYS A 58 -11.025 -13.089 -4.425 1.00 25.40 C ATOM 907 O LYS A 58 -10.233 -13.114 -3.481 1.00 33.24 O ATOM 908 CB LYS A 58 -9.604 -11.427 -5.671 1.00 31.24 C ATOM 909 CG LYS A 58 -9.516 -10.297 -6.688 1.00 34.24 C ATOM 910 CD LYS A 58 -8.126 -9.666 -6.713 1.00 44.32 C ATOM 911 CE LYS A 58 -8.034 -8.552 -7.748 1.00 34.21 C ATOM 912 NZ LYS A 58 -9.130 -7.558 -7.602 1.00 33.40 N ATOM 0 H LYS A 58 -11.328 -10.113 -4.382 1.00 2.31 H new ATOM 0 HA LYS A 58 -11.469 -12.269 -6.354 1.00 2.24 H new ATOM 0 HB2 LYS A 58 -9.173 -11.090 -4.728 1.00 31.24 H new ATOM 0 HB3 LYS A 58 -8.999 -12.264 -6.018 1.00 31.24 H new ATOM 0 HG2 LYS A 58 -9.760 -10.680 -7.679 1.00 34.24 H new ATOM 0 HG3 LYS A 58 -10.257 -9.534 -6.450 1.00 34.24 H new ATOM 0 HD2 LYS A 58 -7.889 -9.267 -5.727 1.00 44.32 H new ATOM 0 HD3 LYS A 58 -7.382 -10.431 -6.934 1.00 44.32 H new ATOM 0 HE2 LYS A 58 -7.073 -8.047 -7.652 1.00 34.21 H new ATOM 0 HE3 LYS A 58 -8.068 -8.984 -8.748 1.00 34.21 H new ATOM 0 HZ1 LYS A 58 -8.873 -6.682 -8.100 1.00 33.40 H new ATOM 0 HZ2 LYS A 58 -10.005 -7.944 -8.010 1.00 33.40 H new ATOM 0 HZ3 LYS A 58 -9.280 -7.352 -6.594 1.00 33.40 H new ATOM 926 N HIS A 59 -11.900 -14.069 -4.639 1.00 74.20 N ATOM 927 CA HIS A 59 -12.046 -15.187 -3.698 1.00 62.44 C ATOM 928 C HIS A 59 -10.830 -16.136 -3.730 1.00 50.51 C ATOM 929 O HIS A 59 -10.718 -17.045 -2.905 1.00 53.43 O ATOM 930 CB HIS A 59 -13.333 -15.965 -3.987 1.00 54.40 C ATOM 931 CG HIS A 59 -13.715 -16.922 -2.894 1.00 11.04 C ATOM 932 ND1 HIS A 59 -13.588 -18.289 -3.011 1.00 61.40 N ATOM 933 CD2 HIS A 59 -14.223 -16.702 -1.656 1.00 21.01 C ATOM 934 CE1 HIS A 59 -14.002 -18.865 -1.902 1.00 0.10 C ATOM 935 NE2 HIS A 59 -14.392 -17.929 -1.064 1.00 21.24 N ATOM 0 H HIS A 59 -12.517 -14.116 -5.450 1.00 74.20 H new ATOM 0 HA HIS A 59 -12.102 -14.761 -2.696 1.00 62.44 H new ATOM 0 HB2 HIS A 59 -14.148 -15.258 -4.141 1.00 54.40 H new ATOM 0 HB3 HIS A 59 -13.212 -16.519 -4.918 1.00 54.40 H new ATOM 0 HD2 HIS A 59 -14.452 -15.742 -1.218 1.00 21.01 H new ATOM 0 HE1 HIS A 59 -14.019 -19.928 -1.712 1.00 0.10 H new ATOM 0 HE2 HIS A 59 -14.760 -18.089 -0.126 1.00 21.24 H new ATOM 944 N TRP A 60 -9.928 -15.931 -4.690 1.00 53.12 N ATOM 945 CA TRP A 60 -8.693 -16.721 -4.762 1.00 64.03 C ATOM 946 C TRP A 60 -7.590 -16.127 -3.863 1.00 22.43 C ATOM 947 O TRP A 60 -6.501 -16.693 -3.742 1.00 33.41 O ATOM 948 CB TRP A 60 -8.211 -16.861 -6.219 1.00 13.14 C ATOM 949 CG TRP A 60 -7.899 -15.569 -6.917 1.00 23.31 C ATOM 950 CD1 TRP A 60 -8.794 -14.680 -7.446 1.00 42.01 C ATOM 951 CD2 TRP A 60 -6.596 -15.039 -7.191 1.00 1.03 C ATOM 952 NE1 TRP A 60 -8.126 -13.626 -8.021 1.00 4.45 N ATOM 953 CE2 TRP A 60 -6.777 -13.824 -7.878 1.00 11.14 C ATOM 954 CE3 TRP A 60 -5.294 -15.475 -6.918 1.00 71.42 C ATOM 955 CZ2 TRP A 60 -5.707 -13.038 -8.293 1.00 53.32 C ATOM 956 CZ3 TRP A 60 -4.231 -14.692 -7.332 1.00 34.41 C ATOM 957 CH2 TRP A 60 -4.443 -13.487 -8.014 1.00 40.41 C ATOM 0 H TRP A 60 -10.025 -15.230 -5.425 1.00 53.12 H new ATOM 0 HA TRP A 60 -8.917 -17.719 -4.386 1.00 64.03 H new ATOM 0 HB2 TRP A 60 -7.318 -17.486 -6.231 1.00 13.14 H new ATOM 0 HB3 TRP A 60 -8.977 -17.387 -6.789 1.00 13.14 H new ATOM 0 HD1 TRP A 60 -9.868 -14.790 -7.416 1.00 42.01 H new ATOM 0 HE1 TRP A 60 -8.563 -12.826 -8.480 1.00 4.45 H new ATOM 0 HE3 TRP A 60 -5.123 -16.404 -6.395 1.00 71.42 H new ATOM 0 HZ2 TRP A 60 -5.867 -12.107 -8.816 1.00 53.32 H new ATOM 0 HZ3 TRP A 60 -3.221 -15.015 -7.126 1.00 34.41 H new ATOM 0 HH2 TRP A 60 -3.592 -12.900 -8.326 1.00 40.41 H new ATOM 968 N ILE A 61 -7.884 -14.987 -3.231 1.00 70.44 N ATOM 969 CA ILE A 61 -7.000 -14.400 -2.213 1.00 23.41 C ATOM 970 C ILE A 61 -7.342 -14.965 -0.824 1.00 65.21 C ATOM 971 O ILE A 61 -8.517 -15.169 -0.501 1.00 72.35 O ATOM 972 CB ILE A 61 -7.104 -12.839 -2.189 1.00 4.33 C ATOM 973 CG1 ILE A 61 -6.207 -12.200 -3.268 1.00 5.23 C ATOM 974 CG2 ILE A 61 -6.743 -12.269 -0.814 1.00 3.51 C ATOM 975 CD1 ILE A 61 -6.477 -12.679 -4.674 1.00 3.13 C ATOM 0 H ILE A 61 -8.732 -14.448 -3.406 1.00 70.44 H new ATOM 0 HA ILE A 61 -5.976 -14.666 -2.473 1.00 23.41 H new ATOM 0 HB ILE A 61 -8.143 -12.591 -2.404 1.00 4.33 H new ATOM 0 HG12 ILE A 61 -6.337 -11.118 -3.236 1.00 5.23 H new ATOM 0 HG13 ILE A 61 -5.165 -12.404 -3.023 1.00 5.23 H new ATOM 0 HG21 ILE A 61 -6.827 -11.182 -0.837 1.00 3.51 H new ATOM 0 HG22 ILE A 61 -7.425 -12.670 -0.064 1.00 3.51 H new ATOM 0 HG23 ILE A 61 -5.720 -12.549 -0.561 1.00 3.51 H new ATOM 0 HD11 ILE A 61 -5.801 -12.177 -5.366 1.00 3.13 H new ATOM 0 HD12 ILE A 61 -6.318 -13.756 -4.728 1.00 3.13 H new ATOM 0 HD13 ILE A 61 -7.508 -12.450 -4.945 1.00 3.13 H new ATOM 987 N ALA A 62 -6.321 -15.220 -0.007 1.00 34.33 N ATOM 988 CA ALA A 62 -6.526 -15.748 1.343 1.00 41.01 C ATOM 989 C ALA A 62 -6.488 -14.620 2.382 1.00 0.41 C ATOM 990 O ALA A 62 -5.934 -13.547 2.137 1.00 64.30 O ATOM 991 CB ALA A 62 -5.481 -16.808 1.670 1.00 74.51 C ATOM 0 H ALA A 62 -5.343 -15.070 -0.255 1.00 34.33 H new ATOM 0 HA ALA A 62 -7.512 -16.212 1.378 1.00 41.01 H new ATOM 0 HB1 ALA A 62 -5.651 -17.188 2.678 1.00 74.51 H new ATOM 0 HB2 ALA A 62 -5.558 -17.628 0.956 1.00 74.51 H new ATOM 0 HB3 ALA A 62 -4.486 -16.368 1.611 1.00 74.51 H new ATOM 997 N GLU A 63 -7.070 -14.861 3.548 1.00 60.21 N ATOM 998 CA GLU A 63 -7.117 -13.835 4.585 1.00 22.00 C ATOM 999 C GLU A 63 -5.711 -13.480 5.094 1.00 54.20 C ATOM 1000 O GLU A 63 -5.384 -12.308 5.266 1.00 64.35 O ATOM 1001 CB GLU A 63 -8.023 -14.267 5.739 1.00 23.23 C ATOM 1002 CG GLU A 63 -8.134 -13.217 6.837 1.00 23.35 C ATOM 1003 CD GLU A 63 -9.348 -13.416 7.723 1.00 71.43 C ATOM 1004 OE1 GLU A 63 -10.450 -12.979 7.320 1.00 30.44 O ATOM 1005 OE2 GLU A 63 -9.210 -14.007 8.811 1.00 31.32 O ATOM 0 H GLU A 63 -7.512 -15.745 3.800 1.00 60.21 H new ATOM 0 HA GLU A 63 -7.540 -12.935 4.138 1.00 22.00 H new ATOM 0 HB2 GLU A 63 -9.018 -14.484 5.350 1.00 23.23 H new ATOM 0 HB3 GLU A 63 -7.639 -15.193 6.167 1.00 23.23 H new ATOM 0 HG2 GLU A 63 -7.234 -13.244 7.451 1.00 23.35 H new ATOM 0 HG3 GLU A 63 -8.180 -12.227 6.383 1.00 23.35 H new ATOM 1012 N ALA A 64 -4.882 -14.496 5.310 1.00 20.22 N ATOM 1013 CA ALA A 64 -3.506 -14.290 5.781 1.00 10.42 C ATOM 1014 C ALA A 64 -2.721 -13.291 4.900 1.00 24.50 C ATOM 1015 O ALA A 64 -2.109 -12.349 5.411 1.00 23.32 O ATOM 1016 CB ALA A 64 -2.770 -15.627 5.840 1.00 75.43 C ATOM 0 H ALA A 64 -5.134 -15.474 5.168 1.00 20.22 H new ATOM 0 HA ALA A 64 -3.568 -13.857 6.779 1.00 10.42 H new ATOM 0 HB1 ALA A 64 -1.750 -15.466 6.190 1.00 75.43 H new ATOM 0 HB2 ALA A 64 -3.288 -16.297 6.526 1.00 75.43 H new ATOM 0 HB3 ALA A 64 -2.746 -16.073 4.846 1.00 75.43 H new ATOM 1022 N ASP A 65 -2.753 -13.486 3.580 1.00 34.31 N ATOM 1023 CA ASP A 65 -1.993 -12.629 2.664 1.00 33.45 C ATOM 1024 C ASP A 65 -2.660 -11.263 2.418 1.00 15.13 C ATOM 1025 O ASP A 65 -1.960 -10.256 2.253 1.00 11.44 O ATOM 1026 CB ASP A 65 -1.703 -13.348 1.337 1.00 44.43 C ATOM 1027 CG ASP A 65 -2.795 -14.308 0.914 1.00 1.25 C ATOM 1028 OD1 ASP A 65 -3.772 -13.872 0.285 1.00 52.51 O ATOM 1029 OD2 ASP A 65 -2.662 -15.514 1.211 1.00 33.01 O ATOM 0 H ASP A 65 -3.291 -14.222 3.123 1.00 34.31 H new ATOM 0 HA ASP A 65 -1.044 -12.424 3.160 1.00 33.45 H new ATOM 0 HB2 ASP A 65 -1.563 -12.603 0.554 1.00 44.43 H new ATOM 0 HB3 ASP A 65 -0.765 -13.896 1.428 1.00 44.43 H new ATOM 1034 N ARG A 66 -3.995 -11.210 2.384 1.00 42.52 N ATOM 1035 CA ARG A 66 -4.684 -9.919 2.245 1.00 15.45 C ATOM 1036 C ARG A 66 -4.425 -9.034 3.475 1.00 13.12 C ATOM 1037 O ARG A 66 -4.148 -7.844 3.345 1.00 65.23 O ATOM 1038 CB ARG A 66 -6.201 -10.089 2.027 1.00 73.42 C ATOM 1039 CG ARG A 66 -6.971 -10.519 3.271 1.00 24.45 C ATOM 1040 CD ARG A 66 -8.482 -10.499 3.059 1.00 25.15 C ATOM 1041 NE ARG A 66 -9.203 -10.874 4.279 1.00 54.54 N ATOM 1042 CZ ARG A 66 -9.977 -10.066 4.961 1.00 41.25 C ATOM 1043 NH1 ARG A 66 -10.185 -8.855 4.556 1.00 32.24 N ATOM 1044 NH2 ARG A 66 -10.561 -10.487 6.036 1.00 43.32 N ATOM 0 H ARG A 66 -4.609 -12.022 2.449 1.00 42.52 H new ATOM 0 HA ARG A 66 -4.276 -9.433 1.359 1.00 15.45 H new ATOM 0 HB2 ARG A 66 -6.612 -9.146 1.668 1.00 73.42 H new ATOM 0 HB3 ARG A 66 -6.363 -10.827 1.241 1.00 73.42 H new ATOM 0 HG2 ARG A 66 -6.661 -11.524 3.557 1.00 24.45 H new ATOM 0 HG3 ARG A 66 -6.715 -9.858 4.099 1.00 24.45 H new ATOM 0 HD2 ARG A 66 -8.793 -9.503 2.744 1.00 25.15 H new ATOM 0 HD3 ARG A 66 -8.746 -11.185 2.254 1.00 25.15 H new ATOM 0 HE ARG A 66 -9.095 -11.829 4.620 1.00 54.54 H new ATOM 0 HH11 ARG A 66 -9.745 -8.521 3.699 1.00 32.24 H new ATOM 0 HH12 ARG A 66 -10.789 -8.234 5.094 1.00 32.24 H new ATOM 0 HH21 ARG A 66 -10.419 -11.446 6.351 1.00 43.32 H new ATOM 0 HH22 ARG A 66 -11.164 -9.859 6.568 1.00 43.32 H new ATOM 1058 N ILE A 67 -4.498 -9.626 4.669 1.00 61.15 N ATOM 1059 CA ILE A 67 -4.247 -8.894 5.916 1.00 43.41 C ATOM 1060 C ILE A 67 -2.796 -8.389 5.972 1.00 63.21 C ATOM 1061 O ILE A 67 -2.537 -7.266 6.402 1.00 50.40 O ATOM 1062 CB ILE A 67 -4.557 -9.774 7.162 1.00 54.24 C ATOM 1063 CG1 ILE A 67 -6.061 -10.096 7.236 1.00 24.45 C ATOM 1064 CG2 ILE A 67 -4.089 -9.098 8.448 1.00 64.23 C ATOM 1065 CD1 ILE A 67 -6.953 -8.874 7.330 1.00 71.24 C ATOM 0 H ILE A 67 -4.729 -10.611 4.800 1.00 61.15 H new ATOM 0 HA ILE A 67 -4.917 -8.035 5.931 1.00 43.41 H new ATOM 0 HB ILE A 67 -4.006 -10.709 7.057 1.00 54.24 H new ATOM 0 HG12 ILE A 67 -6.342 -10.670 6.353 1.00 24.45 H new ATOM 0 HG13 ILE A 67 -6.243 -10.733 8.102 1.00 24.45 H new ATOM 0 HG21 ILE A 67 -4.320 -9.737 9.300 1.00 64.23 H new ATOM 0 HG22 ILE A 67 -3.013 -8.931 8.401 1.00 64.23 H new ATOM 0 HG23 ILE A 67 -4.600 -8.142 8.563 1.00 64.23 H new ATOM 0 HD11 ILE A 67 -7.996 -9.188 7.378 1.00 71.24 H new ATOM 0 HD12 ILE A 67 -6.702 -8.309 8.228 1.00 71.24 H new ATOM 0 HD13 ILE A 67 -6.803 -8.246 6.452 1.00 71.24 H new ATOM 1077 N ASN A 68 -1.862 -9.220 5.512 1.00 14.34 N ATOM 1078 CA ASN A 68 -0.450 -8.834 5.417 1.00 75.40 C ATOM 1079 C ASN A 68 -0.281 -7.497 4.668 1.00 40.03 C ATOM 1080 O ASN A 68 0.260 -6.528 5.211 1.00 14.41 O ATOM 1081 CB ASN A 68 0.342 -9.939 4.705 1.00 51.31 C ATOM 1082 CG ASN A 68 1.805 -9.579 4.481 1.00 24.25 C ATOM 1083 OD1 ASN A 68 2.413 -8.860 5.267 1.00 51.42 O ATOM 1084 ND2 ASN A 68 2.380 -10.074 3.404 1.00 31.12 N ATOM 0 H ASN A 68 -2.057 -10.170 5.197 1.00 14.34 H new ATOM 0 HA ASN A 68 -0.065 -8.701 6.428 1.00 75.40 H new ATOM 0 HB2 ASN A 68 0.286 -10.854 5.294 1.00 51.31 H new ATOM 0 HB3 ASN A 68 -0.125 -10.150 3.743 1.00 51.31 H new ATOM 0 HD21 ASN A 68 3.358 -9.862 3.205 1.00 31.12 H new ATOM 0 HD22 ASN A 68 1.848 -10.669 2.769 1.00 31.12 H new ATOM 1091 N VAL A 69 -0.760 -7.447 3.424 1.00 51.04 N ATOM 1092 CA VAL A 69 -0.631 -6.241 2.603 1.00 73.14 C ATOM 1093 C VAL A 69 -1.490 -5.080 3.136 1.00 1.13 C ATOM 1094 O VAL A 69 -1.091 -3.921 3.054 1.00 41.04 O ATOM 1095 CB VAL A 69 -0.971 -6.514 1.116 1.00 73.53 C ATOM 1096 CG1 VAL A 69 0.003 -7.531 0.522 1.00 15.13 C ATOM 1097 CG2 VAL A 69 -2.415 -6.983 0.954 1.00 3.12 C ATOM 0 H VAL A 69 -1.238 -8.222 2.965 1.00 51.04 H new ATOM 0 HA VAL A 69 0.416 -5.944 2.667 1.00 73.14 H new ATOM 0 HB VAL A 69 -0.866 -5.577 0.569 1.00 73.53 H new ATOM 0 HG11 VAL A 69 -0.251 -7.711 -0.523 1.00 15.13 H new ATOM 0 HG12 VAL A 69 1.019 -7.142 0.587 1.00 15.13 H new ATOM 0 HG13 VAL A 69 -0.064 -8.466 1.078 1.00 15.13 H new ATOM 0 HG21 VAL A 69 -2.622 -7.166 -0.100 1.00 3.12 H new ATOM 0 HG22 VAL A 69 -2.564 -7.904 1.518 1.00 3.12 H new ATOM 0 HG23 VAL A 69 -3.091 -6.215 1.329 1.00 3.12 H new ATOM 1107 N LEU A 70 -2.656 -5.394 3.702 1.00 65.03 N ATOM 1108 CA LEU A 70 -3.528 -4.365 4.284 1.00 34.54 C ATOM 1109 C LEU A 70 -2.877 -3.691 5.506 1.00 2.34 C ATOM 1110 O LEU A 70 -2.979 -2.474 5.681 1.00 60.20 O ATOM 1111 CB LEU A 70 -4.885 -4.963 4.680 1.00 32.14 C ATOM 1112 CG LEU A 70 -5.794 -5.371 3.507 1.00 13.15 C ATOM 1113 CD1 LEU A 70 -7.088 -6.001 4.019 1.00 21.30 C ATOM 1114 CD2 LEU A 70 -6.090 -4.166 2.615 1.00 35.22 C ATOM 0 H LEU A 70 -3.019 -6.345 3.771 1.00 65.03 H new ATOM 0 HA LEU A 70 -3.682 -3.604 3.519 1.00 34.54 H new ATOM 0 HB2 LEU A 70 -4.709 -5.840 5.303 1.00 32.14 H new ATOM 0 HB3 LEU A 70 -5.417 -4.237 5.295 1.00 32.14 H new ATOM 0 HG LEU A 70 -5.270 -6.117 2.909 1.00 13.15 H new ATOM 0 HD11 LEU A 70 -7.715 -6.282 3.173 1.00 21.30 H new ATOM 0 HD12 LEU A 70 -6.853 -6.888 4.607 1.00 21.30 H new ATOM 0 HD13 LEU A 70 -7.620 -5.283 4.643 1.00 21.30 H new ATOM 0 HD21 LEU A 70 -6.734 -4.473 1.791 1.00 35.22 H new ATOM 0 HD22 LEU A 70 -6.592 -3.395 3.200 1.00 35.22 H new ATOM 0 HD23 LEU A 70 -5.156 -3.769 2.217 1.00 35.22 H new ATOM 1126 N ASN A 71 -2.218 -4.485 6.352 1.00 24.50 N ATOM 1127 CA ASN A 71 -1.523 -3.956 7.533 1.00 75.23 C ATOM 1128 C ASN A 71 -0.321 -3.090 7.137 1.00 52.15 C ATOM 1129 O ASN A 71 -0.214 -1.941 7.561 1.00 40.33 O ATOM 1130 CB ASN A 71 -1.067 -5.098 8.453 1.00 24.20 C ATOM 1131 CG ASN A 71 -2.208 -5.689 9.257 1.00 62.10 C ATOM 1132 OD1 ASN A 71 -3.159 -4.999 9.608 1.00 71.41 O ATOM 1133 ND2 ASN A 71 -2.126 -6.965 9.557 1.00 51.33 N ATOM 0 H ASN A 71 -2.149 -5.497 6.244 1.00 24.50 H new ATOM 0 HA ASN A 71 -2.231 -3.328 8.073 1.00 75.23 H new ATOM 0 HB2 ASN A 71 -0.606 -5.882 7.852 1.00 24.20 H new ATOM 0 HB3 ASN A 71 -0.301 -4.727 9.134 1.00 24.20 H new ATOM 0 HD21 ASN A 71 -2.867 -7.410 10.098 1.00 51.33 H new ATOM 0 HD22 ASN A 71 -1.321 -7.511 9.249 1.00 51.33 H new ATOM 1140 N GLN A 72 0.570 -3.635 6.309 1.00 2.20 N ATOM 1141 CA GLN A 72 1.764 -2.895 5.876 1.00 23.34 C ATOM 1142 C GLN A 72 1.380 -1.627 5.093 1.00 64.50 C ATOM 1143 O GLN A 72 2.050 -0.599 5.195 1.00 53.42 O ATOM 1144 CB GLN A 72 2.690 -3.799 5.046 1.00 72.21 C ATOM 1145 CG GLN A 72 2.088 -4.279 3.731 1.00 34.33 C ATOM 1146 CD GLN A 72 2.931 -5.335 3.029 1.00 12.22 C ATOM 1147 OE1 GLN A 72 2.967 -5.404 1.806 1.00 33.11 O ATOM 1148 NE2 GLN A 72 3.591 -6.187 3.791 1.00 44.42 N ATOM 0 H GLN A 72 0.493 -4.577 5.925 1.00 2.20 H new ATOM 0 HA GLN A 72 2.307 -2.579 6.767 1.00 23.34 H new ATOM 0 HB2 GLN A 72 3.611 -3.257 4.833 1.00 72.21 H new ATOM 0 HB3 GLN A 72 2.962 -4.668 5.645 1.00 72.21 H new ATOM 0 HG2 GLN A 72 1.095 -4.686 3.922 1.00 34.33 H new ATOM 0 HG3 GLN A 72 1.960 -3.425 3.065 1.00 34.33 H new ATOM 0 HE21 GLN A 72 3.543 -6.106 4.807 1.00 44.42 H new ATOM 0 HE22 GLN A 72 4.149 -6.926 3.364 1.00 44.42 H new ATOM 1157 N ALA A 73 0.289 -1.700 4.325 1.00 20.44 N ATOM 1158 CA ALA A 73 -0.253 -0.519 3.640 1.00 71.40 C ATOM 1159 C ALA A 73 -0.764 0.516 4.654 1.00 23.43 C ATOM 1160 O ALA A 73 -0.476 1.708 4.539 1.00 71.23 O ATOM 1161 CB ALA A 73 -1.370 -0.915 2.680 1.00 65.00 C ATOM 0 H ALA A 73 -0.235 -2.559 4.161 1.00 20.44 H new ATOM 0 HA ALA A 73 0.554 -0.067 3.064 1.00 71.40 H new ATOM 0 HB1 ALA A 73 -1.756 -0.025 2.184 1.00 65.00 H new ATOM 0 HB2 ALA A 73 -0.980 -1.606 1.933 1.00 65.00 H new ATOM 0 HB3 ALA A 73 -2.174 -1.398 3.236 1.00 65.00 H new ATOM 1167 N THR A 74 -1.524 0.046 5.649 1.00 72.33 N ATOM 1168 CA THR A 74 -1.997 0.908 6.748 1.00 32.45 C ATOM 1169 C THR A 74 -0.818 1.591 7.452 1.00 32.03 C ATOM 1170 O THR A 74 -0.860 2.785 7.740 1.00 32.11 O ATOM 1171 CB THR A 74 -2.821 0.109 7.796 1.00 3.22 C ATOM 1172 OG1 THR A 74 -4.049 -0.363 7.216 1.00 63.53 O ATOM 1173 CG2 THR A 74 -3.139 0.957 9.025 1.00 11.44 C ATOM 0 H THR A 74 -1.827 -0.925 5.720 1.00 72.33 H new ATOM 0 HA THR A 74 -2.643 1.663 6.300 1.00 32.45 H new ATOM 0 HB THR A 74 -2.212 -0.739 8.108 1.00 3.22 H new ATOM 0 HG1 THR A 74 -3.860 -1.114 6.616 1.00 63.53 H new ATOM 0 HG21 THR A 74 -3.716 0.365 9.736 1.00 11.44 H new ATOM 0 HG22 THR A 74 -2.210 1.282 9.493 1.00 11.44 H new ATOM 0 HG23 THR A 74 -3.719 1.830 8.725 1.00 11.44 H new ATOM 1181 N GLU A 75 0.237 0.821 7.716 1.00 61.44 N ATOM 1182 CA GLU A 75 1.467 1.352 8.316 1.00 65.34 C ATOM 1183 C GLU A 75 1.993 2.568 7.534 1.00 13.44 C ATOM 1184 O GLU A 75 2.240 3.629 8.112 1.00 72.11 O ATOM 1185 CB GLU A 75 2.545 0.258 8.355 1.00 3.44 C ATOM 1186 CG GLU A 75 2.209 -0.933 9.249 1.00 44.11 C ATOM 1187 CD GLU A 75 2.265 -0.594 10.730 1.00 71.24 C ATOM 1188 OE1 GLU A 75 3.367 -0.638 11.312 1.00 11.13 O ATOM 1189 OE2 GLU A 75 1.213 -0.283 11.323 1.00 23.33 O ATOM 0 H GLU A 75 0.267 -0.180 7.523 1.00 61.44 H new ATOM 0 HA GLU A 75 1.233 1.674 9.331 1.00 65.34 H new ATOM 0 HB2 GLU A 75 2.715 -0.102 7.341 1.00 3.44 H new ATOM 0 HB3 GLU A 75 3.481 0.700 8.697 1.00 3.44 H new ATOM 0 HG2 GLU A 75 1.212 -1.297 9.002 1.00 44.11 H new ATOM 0 HG3 GLU A 75 2.905 -1.745 9.041 1.00 44.11 H new ATOM 1196 N VAL A 76 2.150 2.405 6.218 1.00 3.15 N ATOM 1197 CA VAL A 76 2.640 3.483 5.346 1.00 11.22 C ATOM 1198 C VAL A 76 1.681 4.691 5.328 1.00 11.25 C ATOM 1199 O VAL A 76 2.112 5.838 5.473 1.00 53.42 O ATOM 1200 CB VAL A 76 2.851 2.977 3.892 1.00 42.45 C ATOM 1201 CG1 VAL A 76 3.359 4.097 2.983 1.00 24.10 C ATOM 1202 CG2 VAL A 76 3.811 1.787 3.869 1.00 43.55 C ATOM 0 H VAL A 76 1.945 1.534 5.728 1.00 3.15 H new ATOM 0 HA VAL A 76 3.596 3.805 5.760 1.00 11.22 H new ATOM 0 HB VAL A 76 1.885 2.649 3.509 1.00 42.45 H new ATOM 0 HG11 VAL A 76 3.497 3.711 1.973 1.00 24.10 H new ATOM 0 HG12 VAL A 76 2.632 4.909 2.965 1.00 24.10 H new ATOM 0 HG13 VAL A 76 4.311 4.470 3.362 1.00 24.10 H new ATOM 0 HG21 VAL A 76 3.945 1.448 2.842 1.00 43.55 H new ATOM 0 HG22 VAL A 76 4.774 2.089 4.280 1.00 43.55 H new ATOM 0 HG23 VAL A 76 3.399 0.975 4.468 1.00 43.55 H new ATOM 1212 N ILE A 77 0.385 4.429 5.151 1.00 34.50 N ATOM 1213 CA ILE A 77 -0.632 5.495 5.121 1.00 63.40 C ATOM 1214 C ILE A 77 -0.652 6.294 6.438 1.00 63.13 C ATOM 1215 O ILE A 77 -0.558 7.525 6.435 1.00 13.33 O ATOM 1216 CB ILE A 77 -2.045 4.916 4.844 1.00 71.53 C ATOM 1217 CG1 ILE A 77 -2.083 4.247 3.458 1.00 54.32 C ATOM 1218 CG2 ILE A 77 -3.112 6.007 4.953 1.00 31.40 C ATOM 1219 CD1 ILE A 77 -3.423 3.631 3.110 1.00 74.22 C ATOM 0 H ILE A 77 0.009 3.489 5.026 1.00 34.50 H new ATOM 0 HA ILE A 77 -0.360 6.169 4.309 1.00 63.40 H new ATOM 0 HB ILE A 77 -2.263 4.160 5.598 1.00 71.53 H new ATOM 0 HG12 ILE A 77 -1.827 4.988 2.701 1.00 54.32 H new ATOM 0 HG13 ILE A 77 -1.317 3.473 3.418 1.00 54.32 H new ATOM 0 HG21 ILE A 77 -4.094 5.577 4.755 1.00 31.40 H new ATOM 0 HG22 ILE A 77 -3.098 6.431 5.957 1.00 31.40 H new ATOM 0 HG23 ILE A 77 -2.906 6.792 4.225 1.00 31.40 H new ATOM 0 HD11 ILE A 77 -3.370 3.180 2.119 1.00 74.22 H new ATOM 0 HD12 ILE A 77 -3.673 2.865 3.844 1.00 74.22 H new ATOM 0 HD13 ILE A 77 -4.191 4.404 3.116 1.00 74.22 H new ATOM 1231 N ASN A 78 -0.773 5.584 7.558 1.00 45.32 N ATOM 1232 CA ASN A 78 -0.739 6.200 8.891 1.00 52.31 C ATOM 1233 C ASN A 78 0.559 7.002 9.104 1.00 24.11 C ATOM 1234 O ASN A 78 0.548 8.068 9.724 1.00 70.23 O ATOM 1235 CB ASN A 78 -0.866 5.115 9.970 1.00 22.12 C ATOM 1236 CG ASN A 78 -2.206 4.396 9.924 1.00 54.24 C ATOM 1237 OD1 ASN A 78 -2.890 4.384 8.904 1.00 50.13 O ATOM 1238 ND2 ASN A 78 -2.578 3.758 11.019 1.00 45.12 N ATOM 0 H ASN A 78 -0.897 4.572 7.572 1.00 45.32 H new ATOM 0 HA ASN A 78 -1.579 6.890 8.967 1.00 52.31 H new ATOM 0 HB2 ASN A 78 -0.064 4.388 9.845 1.00 22.12 H new ATOM 0 HB3 ASN A 78 -0.735 5.568 10.953 1.00 22.12 H new ATOM 0 HD21 ASN A 78 -3.455 3.237 11.033 1.00 45.12 H new ATOM 0 HD22 ASN A 78 -1.989 3.786 11.851 1.00 45.12 H new ATOM 1245 N PHE A 79 1.670 6.475 8.583 1.00 5.33 N ATOM 1246 CA PHE A 79 2.970 7.158 8.647 1.00 32.43 C ATOM 1247 C PHE A 79 2.945 8.478 7.851 1.00 72.11 C ATOM 1248 O PHE A 79 3.382 9.518 8.343 1.00 62.13 O ATOM 1249 CB PHE A 79 4.074 6.227 8.115 1.00 62.13 C ATOM 1250 CG PHE A 79 5.455 6.839 8.101 1.00 1.23 C ATOM 1251 CD1 PHE A 79 6.135 7.082 9.286 1.00 22.25 C ATOM 1252 CD2 PHE A 79 6.074 7.166 6.900 1.00 64.32 C ATOM 1253 CE1 PHE A 79 7.400 7.638 9.274 1.00 55.11 C ATOM 1254 CE2 PHE A 79 7.338 7.721 6.886 1.00 34.14 C ATOM 1255 CZ PHE A 79 8.001 7.957 8.072 1.00 75.23 C ATOM 0 H PHE A 79 1.697 5.572 8.109 1.00 5.33 H new ATOM 0 HA PHE A 79 3.181 7.403 9.688 1.00 32.43 H new ATOM 0 HB2 PHE A 79 4.096 5.324 8.726 1.00 62.13 H new ATOM 0 HB3 PHE A 79 3.816 5.920 7.101 1.00 62.13 H new ATOM 0 HD1 PHE A 79 5.670 6.834 10.229 1.00 22.25 H new ATOM 0 HD2 PHE A 79 5.560 6.984 5.968 1.00 64.32 H new ATOM 0 HE1 PHE A 79 7.918 7.823 10.203 1.00 55.11 H new ATOM 0 HE2 PHE A 79 7.808 7.970 5.946 1.00 34.14 H new ATOM 0 HZ PHE A 79 8.990 8.391 8.061 1.00 75.23 H new ATOM 1265 N TRP A 80 2.415 8.426 6.626 1.00 43.21 N ATOM 1266 CA TRP A 80 2.279 9.622 5.780 1.00 10.03 C ATOM 1267 C TRP A 80 1.448 10.701 6.492 1.00 51.21 C ATOM 1268 O TRP A 80 1.812 11.879 6.508 1.00 24.20 O ATOM 1269 CB TRP A 80 1.621 9.248 4.441 1.00 43.03 C ATOM 1270 CG TRP A 80 1.505 10.396 3.475 1.00 4.12 C ATOM 1271 CD1 TRP A 80 2.454 10.816 2.585 1.00 33.20 C ATOM 1272 CD2 TRP A 80 0.375 11.262 3.292 1.00 4.41 C ATOM 1273 NE1 TRP A 80 1.987 11.890 1.867 1.00 41.30 N ATOM 1274 CE2 TRP A 80 0.714 12.182 2.279 1.00 71.34 C ATOM 1275 CE3 TRP A 80 -0.889 11.350 3.885 1.00 44.42 C ATOM 1276 CZ2 TRP A 80 -0.165 13.171 1.848 1.00 65.32 C ATOM 1277 CZ3 TRP A 80 -1.759 12.334 3.455 1.00 14.32 C ATOM 1278 CH2 TRP A 80 -1.395 13.233 2.444 1.00 53.21 C ATOM 0 H TRP A 80 2.071 7.568 6.194 1.00 43.21 H new ATOM 0 HA TRP A 80 3.274 10.024 5.589 1.00 10.03 H new ATOM 0 HB2 TRP A 80 2.199 8.450 3.974 1.00 43.03 H new ATOM 0 HB3 TRP A 80 0.626 8.848 4.636 1.00 43.03 H new ATOM 0 HD1 TRP A 80 3.429 10.368 2.464 1.00 33.20 H new ATOM 0 HE1 TRP A 80 2.505 12.389 1.144 1.00 41.30 H new ATOM 0 HE3 TRP A 80 -1.180 10.661 4.665 1.00 44.42 H new ATOM 0 HZ2 TRP A 80 0.114 13.866 1.070 1.00 65.32 H new ATOM 0 HZ3 TRP A 80 -2.737 12.411 3.906 1.00 14.32 H new ATOM 0 HH2 TRP A 80 -2.099 13.989 2.129 1.00 53.21 H new ATOM 1289 N GLN A 81 0.334 10.283 7.087 1.00 74.02 N ATOM 1290 CA GLN A 81 -0.525 11.190 7.852 1.00 40.22 C ATOM 1291 C GLN A 81 0.208 11.723 9.097 1.00 45.52 C ATOM 1292 O GLN A 81 0.030 12.876 9.502 1.00 62.42 O ATOM 1293 CB GLN A 81 -1.818 10.464 8.251 1.00 75.03 C ATOM 1294 CG GLN A 81 -2.855 11.358 8.924 1.00 22.34 C ATOM 1295 CD GLN A 81 -4.123 10.607 9.295 1.00 35.11 C ATOM 1296 OE1 GLN A 81 -4.092 9.418 9.597 1.00 70.15 O ATOM 1297 NE2 GLN A 81 -5.250 11.288 9.269 1.00 11.12 N ATOM 0 H GLN A 81 0.002 9.319 7.055 1.00 74.02 H new ATOM 0 HA GLN A 81 -0.778 12.045 7.226 1.00 40.22 H new ATOM 0 HB2 GLN A 81 -2.261 10.019 7.360 1.00 75.03 H new ATOM 0 HB3 GLN A 81 -1.568 9.645 8.925 1.00 75.03 H new ATOM 0 HG2 GLN A 81 -2.422 11.798 9.822 1.00 22.34 H new ATOM 0 HG3 GLN A 81 -3.107 12.182 8.256 1.00 22.34 H new ATOM 0 HE21 GLN A 81 -5.243 12.276 9.014 1.00 11.12 H new ATOM 0 HE22 GLN A 81 -6.129 10.828 9.504 1.00 11.12 H new ATOM 1306 N ASP A 82 1.052 10.878 9.688 1.00 20.24 N ATOM 1307 CA ASP A 82 1.881 11.277 10.828 1.00 40.53 C ATOM 1308 C ASP A 82 2.912 12.341 10.413 1.00 25.04 C ATOM 1309 O ASP A 82 3.269 13.228 11.194 1.00 42.25 O ATOM 1310 CB ASP A 82 2.583 10.052 11.422 1.00 22.50 C ATOM 1311 CG ASP A 82 3.441 10.401 12.624 1.00 32.33 C ATOM 1312 OD1 ASP A 82 2.895 10.927 13.618 1.00 34.15 O ATOM 1313 OD2 ASP A 82 4.661 10.151 12.586 1.00 24.44 O ATOM 0 H ASP A 82 1.181 9.909 9.396 1.00 20.24 H new ATOM 0 HA ASP A 82 1.234 11.715 11.588 1.00 40.53 H new ATOM 0 HB2 ASP A 82 1.835 9.315 11.715 1.00 22.50 H new ATOM 0 HB3 ASP A 82 3.206 9.588 10.657 1.00 22.50 H new ATOM 1318 N LEU A 83 3.386 12.260 9.178 1.00 72.32 N ATOM 1319 CA LEU A 83 4.284 13.282 8.642 1.00 24.43 C ATOM 1320 C LEU A 83 3.566 14.638 8.531 1.00 21.50 C ATOM 1321 O LEU A 83 4.201 15.692 8.552 1.00 3.51 O ATOM 1322 CB LEU A 83 4.819 12.862 7.269 1.00 55.31 C ATOM 1323 CG LEU A 83 5.533 11.501 7.236 1.00 54.42 C ATOM 1324 CD1 LEU A 83 6.094 11.216 5.847 1.00 71.25 C ATOM 1325 CD2 LEU A 83 6.632 11.437 8.297 1.00 3.44 C ATOM 0 H LEU A 83 3.168 11.504 8.529 1.00 72.32 H new ATOM 0 HA LEU A 83 5.122 13.387 9.331 1.00 24.43 H new ATOM 0 HB2 LEU A 83 3.987 12.836 6.565 1.00 55.31 H new ATOM 0 HB3 LEU A 83 5.511 13.627 6.917 1.00 55.31 H new ATOM 0 HG LEU A 83 4.800 10.728 7.466 1.00 54.42 H new ATOM 0 HD11 LEU A 83 6.595 10.248 5.848 1.00 71.25 H new ATOM 0 HD12 LEU A 83 5.280 11.203 5.122 1.00 71.25 H new ATOM 0 HD13 LEU A 83 6.809 11.993 5.577 1.00 71.25 H new ATOM 0 HD21 LEU A 83 7.123 10.465 8.254 1.00 3.44 H new ATOM 0 HD22 LEU A 83 7.365 12.222 8.110 1.00 3.44 H new ATOM 0 HD23 LEU A 83 6.193 11.579 9.285 1.00 3.44 H new ATOM 1337 N LYS A 84 2.236 14.598 8.409 1.00 44.12 N ATOM 1338 CA LYS A 84 1.426 15.817 8.298 1.00 24.33 C ATOM 1339 C LYS A 84 1.193 16.504 9.655 1.00 10.11 C ATOM 1340 O LYS A 84 1.384 17.714 9.776 1.00 74.30 O ATOM 1341 CB LYS A 84 0.084 15.504 7.621 1.00 52.32 C ATOM 1342 CG LYS A 84 0.217 15.123 6.149 1.00 63.42 C ATOM 1343 CD LYS A 84 0.913 16.224 5.349 1.00 13.23 C ATOM 1344 CE LYS A 84 1.049 15.870 3.873 1.00 71.13 C ATOM 1345 NZ LYS A 84 1.763 16.934 3.119 1.00 41.42 N ATOM 0 H LYS A 84 1.696 13.733 8.384 1.00 44.12 H new ATOM 0 HA LYS A 84 1.990 16.518 7.682 1.00 24.33 H new ATOM 0 HB2 LYS A 84 -0.402 14.688 8.156 1.00 52.32 H new ATOM 0 HB3 LYS A 84 -0.568 16.374 7.705 1.00 52.32 H new ATOM 0 HG2 LYS A 84 0.782 14.195 6.061 1.00 63.42 H new ATOM 0 HG3 LYS A 84 -0.771 14.935 5.729 1.00 63.42 H new ATOM 0 HD2 LYS A 84 0.350 17.152 5.447 1.00 13.23 H new ATOM 0 HD3 LYS A 84 1.902 16.405 5.769 1.00 13.23 H new ATOM 0 HE2 LYS A 84 1.588 14.928 3.772 1.00 71.13 H new ATOM 0 HE3 LYS A 84 0.059 15.719 3.442 1.00 71.13 H new ATOM 0 HZ1 LYS A 84 1.387 16.985 2.151 1.00 41.42 H new ATOM 0 HZ2 LYS A 84 1.624 17.849 3.594 1.00 41.42 H new ATOM 0 HZ3 LYS A 84 2.779 16.713 3.084 1.00 41.42 H new ATOM 1359 N ASN A 85 0.785 15.749 10.683 1.00 51.14 N ATOM 1360 CA ASN A 85 0.520 16.363 11.998 1.00 43.32 C ATOM 1361 C ASN A 85 1.818 16.873 12.659 1.00 10.41 C ATOM 1362 O ASN A 85 1.788 17.804 13.468 1.00 23.04 O ATOM 1363 CB ASN A 85 -0.244 15.414 12.951 1.00 20.14 C ATOM 1364 CG ASN A 85 0.611 14.327 13.590 1.00 50.24 C ATOM 1365 OD1 ASN A 85 0.438 13.993 14.757 1.00 30.21 O ATOM 1366 ND2 ASN A 85 1.511 13.743 12.840 1.00 45.00 N ATOM 0 H ASN A 85 0.634 14.741 10.638 1.00 51.14 H new ATOM 0 HA ASN A 85 -0.126 17.221 11.810 1.00 43.32 H new ATOM 0 HB2 ASN A 85 -0.703 16.008 13.742 1.00 20.14 H new ATOM 0 HB3 ASN A 85 -1.055 14.941 12.397 1.00 20.14 H new ATOM 0 HD21 ASN A 85 2.086 12.993 13.224 1.00 45.00 H new ATOM 0 HD22 ASN A 85 1.637 14.038 11.872 1.00 45.00 H new ATOM 1373 N GLN A 86 2.956 16.266 12.307 1.00 44.53 N ATOM 1374 CA GLN A 86 4.267 16.734 12.788 1.00 23.25 C ATOM 1375 C GLN A 86 4.926 17.719 11.799 1.00 73.13 C ATOM 1376 O GLN A 86 5.884 18.408 12.149 1.00 44.24 O ATOM 1377 CB GLN A 86 5.208 15.543 13.030 1.00 4.12 C ATOM 1378 CG GLN A 86 4.757 14.609 14.148 1.00 1.24 C ATOM 1379 CD GLN A 86 5.761 13.501 14.423 1.00 61.41 C ATOM 1380 OE1 GLN A 86 6.667 13.653 15.235 1.00 35.32 O ATOM 1381 NE2 GLN A 86 5.617 12.385 13.747 1.00 32.34 N ATOM 0 H GLN A 86 3.000 15.452 11.693 1.00 44.53 H new ATOM 0 HA GLN A 86 4.094 17.261 13.727 1.00 23.25 H new ATOM 0 HB2 GLN A 86 5.297 14.970 12.107 1.00 4.12 H new ATOM 0 HB3 GLN A 86 6.202 15.922 13.267 1.00 4.12 H new ATOM 0 HG2 GLN A 86 4.601 15.187 15.059 1.00 1.24 H new ATOM 0 HG3 GLN A 86 3.797 14.167 13.882 1.00 1.24 H new ATOM 0 HE21 GLN A 86 4.853 12.289 13.078 1.00 32.34 H new ATOM 0 HE22 GLN A 86 6.269 11.614 13.891 1.00 32.34 H new ATOM 1390 N ASN A 87 4.401 17.781 10.570 1.00 41.13 N ATOM 1391 CA ASN A 87 4.976 18.614 9.496 1.00 32.13 C ATOM 1392 C ASN A 87 6.457 18.273 9.234 1.00 31.21 C ATOM 1393 O ASN A 87 7.360 19.043 9.568 1.00 12.51 O ATOM 1394 CB ASN A 87 4.811 20.112 9.805 1.00 62.03 C ATOM 1395 CG ASN A 87 3.363 20.559 9.722 1.00 41.53 C ATOM 1396 OD1 ASN A 87 2.891 20.986 8.673 1.00 43.01 O ATOM 1397 ND2 ASN A 87 2.645 20.475 10.823 1.00 14.25 N ATOM 0 H ASN A 87 3.570 17.260 10.288 1.00 41.13 H new ATOM 0 HA ASN A 87 4.420 18.388 8.586 1.00 32.13 H new ATOM 0 HB2 ASN A 87 5.197 20.320 10.803 1.00 62.03 H new ATOM 0 HB3 ASN A 87 5.410 20.694 9.104 1.00 62.03 H new ATOM 0 HD21 ASN A 87 1.668 20.769 10.819 1.00 14.25 H new ATOM 0 HD22 ASN A 87 3.066 20.116 11.680 1.00 14.25 H new ATOM 1404 N LYS A 88 6.700 17.094 8.659 1.00 3.23 N ATOM 1405 CA LYS A 88 8.063 16.657 8.317 1.00 43.33 C ATOM 1406 C LYS A 88 8.351 16.817 6.817 1.00 25.31 C ATOM 1407 O LYS A 88 9.368 17.396 6.436 1.00 45.14 O ATOM 1408 CB LYS A 88 8.283 15.195 8.732 1.00 43.42 C ATOM 1409 CG LYS A 88 8.270 14.970 10.244 1.00 52.32 C ATOM 1410 CD LYS A 88 8.550 13.511 10.601 1.00 41.12 C ATOM 1411 CE LYS A 88 8.661 13.295 12.107 1.00 0.15 C ATOM 1412 NZ LYS A 88 9.799 14.050 12.701 1.00 1.51 N ATOM 0 H LYS A 88 5.972 16.421 8.418 1.00 3.23 H new ATOM 0 HA LYS A 88 8.754 17.296 8.867 1.00 43.33 H new ATOM 0 HB2 LYS A 88 7.508 14.578 8.276 1.00 43.42 H new ATOM 0 HB3 LYS A 88 9.238 14.854 8.332 1.00 43.42 H new ATOM 0 HG2 LYS A 88 9.018 15.609 10.713 1.00 52.32 H new ATOM 0 HG3 LYS A 88 7.301 15.264 10.647 1.00 52.32 H new ATOM 0 HD2 LYS A 88 7.753 12.883 10.204 1.00 41.12 H new ATOM 0 HD3 LYS A 88 9.476 13.193 10.121 1.00 41.12 H new ATOM 0 HE2 LYS A 88 7.732 13.605 12.586 1.00 0.15 H new ATOM 0 HE3 LYS A 88 8.786 12.232 12.312 1.00 0.15 H new ATOM 0 HZ1 LYS A 88 9.974 13.710 13.668 1.00 1.51 H new ATOM 0 HZ2 LYS A 88 10.651 13.905 12.123 1.00 1.51 H new ATOM 0 HZ3 LYS A 88 9.567 15.063 12.728 1.00 1.51 H new ATOM 1426 N GLN A 89 7.455 16.289 5.977 1.00 61.43 N ATOM 1427 CA GLN A 89 7.618 16.344 4.514 1.00 33.40 C ATOM 1428 C GLN A 89 8.960 15.737 4.062 1.00 73.22 C ATOM 1429 O GLN A 89 9.774 16.399 3.413 1.00 21.33 O ATOM 1430 CB GLN A 89 7.485 17.793 4.015 1.00 61.23 C ATOM 1431 CG GLN A 89 6.086 18.380 4.180 1.00 62.42 C ATOM 1432 CD GLN A 89 5.044 17.649 3.345 1.00 61.13 C ATOM 1433 OE1 GLN A 89 4.406 16.702 3.799 1.00 25.42 O ATOM 1434 NE2 GLN A 89 4.875 18.074 2.113 1.00 71.12 N ATOM 0 H GLN A 89 6.605 15.816 6.283 1.00 61.43 H new ATOM 0 HA GLN A 89 6.824 15.742 4.072 1.00 33.40 H new ATOM 0 HB2 GLN A 89 8.196 18.419 4.554 1.00 61.23 H new ATOM 0 HB3 GLN A 89 7.762 17.831 2.961 1.00 61.23 H new ATOM 0 HG2 GLN A 89 5.800 18.338 5.231 1.00 62.42 H new ATOM 0 HG3 GLN A 89 6.101 19.432 3.896 1.00 62.42 H new ATOM 0 HE21 GLN A 89 5.421 18.863 1.766 1.00 71.12 H new ATOM 0 HE22 GLN A 89 4.198 17.615 1.503 1.00 71.12 H new ATOM 1443 N ILE A 90 9.177 14.472 4.407 1.00 63.10 N ATOM 1444 CA ILE A 90 10.413 13.767 4.047 1.00 32.33 C ATOM 1445 C ILE A 90 10.298 13.084 2.671 1.00 1.05 C ATOM 1446 O ILE A 90 9.198 12.899 2.145 1.00 42.41 O ATOM 1447 CB ILE A 90 10.790 12.715 5.123 1.00 63.34 C ATOM 1448 CG1 ILE A 90 9.643 11.706 5.323 1.00 62.11 C ATOM 1449 CG2 ILE A 90 11.144 13.406 6.441 1.00 31.11 C ATOM 1450 CD1 ILE A 90 9.903 10.679 6.408 1.00 71.31 C ATOM 0 H ILE A 90 8.513 13.908 4.938 1.00 63.10 H new ATOM 0 HA ILE A 90 11.202 14.518 3.994 1.00 32.33 H new ATOM 0 HB ILE A 90 11.666 12.165 4.778 1.00 63.34 H new ATOM 0 HG12 ILE A 90 8.731 12.252 5.566 1.00 62.11 H new ATOM 0 HG13 ILE A 90 9.462 11.187 4.382 1.00 62.11 H new ATOM 0 HG21 ILE A 90 11.406 12.655 7.186 1.00 31.11 H new ATOM 0 HG22 ILE A 90 11.991 14.074 6.285 1.00 31.11 H new ATOM 0 HG23 ILE A 90 10.287 13.982 6.792 1.00 31.11 H new ATOM 0 HD11 ILE A 90 9.048 10.007 6.485 1.00 71.31 H new ATOM 0 HD12 ILE A 90 10.795 10.104 6.159 1.00 71.31 H new ATOM 0 HD13 ILE A 90 10.053 11.186 7.361 1.00 71.31 H new ATOM 1462 N SER A 91 11.441 12.720 2.098 1.00 61.44 N ATOM 1463 CA SER A 91 11.494 12.108 0.761 1.00 21.31 C ATOM 1464 C SER A 91 11.210 10.598 0.797 1.00 15.02 C ATOM 1465 O SER A 91 11.177 9.979 1.862 1.00 65.13 O ATOM 1466 CB SER A 91 12.872 12.347 0.125 1.00 25.34 C ATOM 1467 OG SER A 91 12.978 11.709 -1.140 1.00 3.13 O ATOM 0 H SER A 91 12.354 12.837 2.538 1.00 61.44 H new ATOM 0 HA SER A 91 10.715 12.582 0.164 1.00 21.31 H new ATOM 0 HB2 SER A 91 13.040 13.418 0.009 1.00 25.34 H new ATOM 0 HB3 SER A 91 13.651 11.972 0.789 1.00 25.34 H new ATOM 0 HG SER A 91 13.865 11.881 -1.520 1.00 3.13 H new ATOM 1473 N MET A 92 11.031 10.009 -0.387 1.00 73.22 N ATOM 1474 CA MET A 92 10.787 8.566 -0.513 1.00 43.55 C ATOM 1475 C MET A 92 11.978 7.744 0.012 1.00 72.33 C ATOM 1476 O MET A 92 11.817 6.595 0.426 1.00 24.12 O ATOM 1477 CB MET A 92 10.469 8.204 -1.977 1.00 32.43 C ATOM 1478 CG MET A 92 11.505 8.689 -2.990 1.00 63.35 C ATOM 1479 SD MET A 92 13.106 7.873 -2.827 1.00 63.00 S ATOM 1480 CE MET A 92 12.661 6.168 -3.157 1.00 42.33 C ATOM 0 H MET A 92 11.050 10.509 -1.276 1.00 73.22 H new ATOM 0 HA MET A 92 9.923 8.315 0.103 1.00 43.55 H new ATOM 0 HB2 MET A 92 10.379 7.121 -2.059 1.00 32.43 H new ATOM 0 HB3 MET A 92 9.498 8.625 -2.239 1.00 32.43 H new ATOM 0 HG2 MET A 92 11.122 8.523 -3.997 1.00 63.35 H new ATOM 0 HG3 MET A 92 11.640 9.764 -2.873 1.00 63.35 H new ATOM 0 HE1 MET A 92 13.552 5.608 -3.443 1.00 42.33 H new ATOM 0 HE2 MET A 92 12.226 5.725 -2.261 1.00 42.33 H new ATOM 0 HE3 MET A 92 11.934 6.132 -3.969 1.00 42.33 H new ATOM 1490 N ALA A 93 13.167 8.348 -0.003 1.00 2.41 N ATOM 1491 CA ALA A 93 14.366 7.733 0.584 1.00 61.23 C ATOM 1492 C ALA A 93 14.136 7.381 2.059 1.00 33.21 C ATOM 1493 O ALA A 93 14.397 6.262 2.503 1.00 3.31 O ATOM 1494 CB ALA A 93 15.552 8.680 0.457 1.00 61.41 C ATOM 0 H ALA A 93 13.329 9.266 -0.416 1.00 2.41 H new ATOM 0 HA ALA A 93 14.578 6.812 0.040 1.00 61.23 H new ATOM 0 HB1 ALA A 93 16.436 8.216 0.894 1.00 61.41 H new ATOM 0 HB2 ALA A 93 15.737 8.892 -0.596 1.00 61.41 H new ATOM 0 HB3 ALA A 93 15.333 9.610 0.982 1.00 61.41 H new ATOM 1500 N GLU A 94 13.625 8.353 2.801 1.00 10.20 N ATOM 1501 CA GLU A 94 13.311 8.185 4.220 1.00 11.32 C ATOM 1502 C GLU A 94 12.183 7.164 4.426 1.00 21.31 C ATOM 1503 O GLU A 94 12.143 6.456 5.434 1.00 24.43 O ATOM 1504 CB GLU A 94 12.927 9.547 4.804 1.00 72.32 C ATOM 1505 CG GLU A 94 14.041 10.585 4.693 1.00 62.31 C ATOM 1506 CD GLU A 94 15.088 10.447 5.789 1.00 43.43 C ATOM 1507 OE1 GLU A 94 15.838 9.450 5.784 1.00 41.11 O ATOM 1508 OE2 GLU A 94 15.156 11.334 6.664 1.00 60.24 O ATOM 0 H GLU A 94 13.415 9.283 2.439 1.00 10.20 H new ATOM 0 HA GLU A 94 14.189 7.798 4.737 1.00 11.32 H new ATOM 0 HB2 GLU A 94 12.041 9.919 4.290 1.00 72.32 H new ATOM 0 HB3 GLU A 94 12.658 9.423 5.853 1.00 72.32 H new ATOM 0 HG2 GLU A 94 14.525 10.489 3.721 1.00 62.31 H new ATOM 0 HG3 GLU A 94 13.606 11.584 4.736 1.00 62.31 H new ATOM 1515 N ALA A 95 11.261 7.100 3.464 1.00 71.33 N ATOM 1516 CA ALA A 95 10.216 6.071 3.460 1.00 73.34 C ATOM 1517 C ALA A 95 10.828 4.674 3.243 1.00 2.24 C ATOM 1518 O ALA A 95 10.358 3.687 3.803 1.00 72.33 O ATOM 1519 CB ALA A 95 9.179 6.379 2.386 1.00 72.12 C ATOM 0 H ALA A 95 11.215 7.748 2.677 1.00 71.33 H new ATOM 0 HA ALA A 95 9.721 6.075 4.431 1.00 73.34 H new ATOM 0 HB1 ALA A 95 8.408 5.608 2.393 1.00 72.12 H new ATOM 0 HB2 ALA A 95 8.724 7.349 2.587 1.00 72.12 H new ATOM 0 HB3 ALA A 95 9.662 6.401 1.409 1.00 72.12 H new ATOM 1525 N GLN A 96 11.882 4.606 2.428 1.00 33.44 N ATOM 1526 CA GLN A 96 12.647 3.365 2.231 1.00 4.52 C ATOM 1527 C GLN A 96 13.409 2.975 3.507 1.00 62.20 C ATOM 1528 O GLN A 96 13.486 1.798 3.864 1.00 4.54 O ATOM 1529 CB GLN A 96 13.630 3.529 1.061 1.00 63.14 C ATOM 1530 CG GLN A 96 12.959 3.533 -0.307 1.00 64.52 C ATOM 1531 CD GLN A 96 12.514 2.148 -0.738 1.00 31.05 C ATOM 1532 OE1 GLN A 96 13.241 1.434 -1.417 1.00 4.45 O ATOM 1533 NE2 GLN A 96 11.335 1.744 -0.321 1.00 32.43 N ATOM 0 H GLN A 96 12.230 5.399 1.889 1.00 33.44 H new ATOM 0 HA GLN A 96 11.942 2.567 1.998 1.00 4.52 H new ATOM 0 HB2 GLN A 96 14.180 4.461 1.189 1.00 63.14 H new ATOM 0 HB3 GLN A 96 14.360 2.720 1.095 1.00 63.14 H new ATOM 0 HG2 GLN A 96 12.096 4.198 -0.283 1.00 64.52 H new ATOM 0 HG3 GLN A 96 13.651 3.936 -1.047 1.00 64.52 H new ATOM 0 HE21 GLN A 96 10.754 2.364 0.243 1.00 32.43 H new ATOM 0 HE22 GLN A 96 11.001 0.811 -0.562 1.00 32.43 H new ATOM 1542 N GLY A 97 13.978 3.973 4.181 1.00 52.35 N ATOM 1543 CA GLY A 97 14.635 3.735 5.461 1.00 14.04 C ATOM 1544 C GLY A 97 13.659 3.297 6.547 1.00 74.51 C ATOM 1545 O GLY A 97 14.046 2.651 7.522 1.00 74.23 O ATOM 0 H GLY A 97 13.997 4.943 3.865 1.00 52.35 H new ATOM 0 HA2 GLY A 97 15.401 2.970 5.336 1.00 14.04 H new ATOM 0 HA3 GLY A 97 15.143 4.645 5.780 1.00 14.04 H new ATOM 1549 N LYS A 98 12.387 3.659 6.381 1.00 54.54 N ATOM 1550 CA LYS A 98 11.333 3.283 7.330 1.00 12.12 C ATOM 1551 C LYS A 98 10.738 1.900 6.992 1.00 50.11 C ATOM 1552 O LYS A 98 10.508 1.075 7.880 1.00 44.24 O ATOM 1553 CB LYS A 98 10.220 4.342 7.318 1.00 23.32 C ATOM 1554 CG LYS A 98 9.322 4.312 8.552 1.00 50.34 C ATOM 1555 CD LYS A 98 10.065 4.816 9.787 1.00 75.44 C ATOM 1556 CE LYS A 98 9.204 4.778 11.046 1.00 15.22 C ATOM 1557 NZ LYS A 98 8.916 3.391 11.492 1.00 10.31 N ATOM 0 H LYS A 98 12.057 4.216 5.593 1.00 54.54 H new ATOM 0 HA LYS A 98 11.778 3.227 8.323 1.00 12.12 H new ATOM 0 HB2 LYS A 98 10.673 5.330 7.235 1.00 23.32 H new ATOM 0 HB3 LYS A 98 9.605 4.198 6.430 1.00 23.32 H new ATOM 0 HG2 LYS A 98 8.440 4.928 8.378 1.00 50.34 H new ATOM 0 HG3 LYS A 98 8.971 3.295 8.725 1.00 50.34 H new ATOM 0 HD2 LYS A 98 10.957 4.209 9.943 1.00 75.44 H new ATOM 0 HD3 LYS A 98 10.402 5.838 9.612 1.00 75.44 H new ATOM 0 HE2 LYS A 98 9.711 5.316 11.846 1.00 15.22 H new ATOM 0 HE3 LYS A 98 8.265 5.299 10.857 1.00 15.22 H new ATOM 0 HZ1 LYS A 98 8.357 3.417 12.369 1.00 10.31 H new ATOM 0 HZ2 LYS A 98 8.379 2.893 10.754 1.00 10.31 H new ATOM 0 HZ3 LYS A 98 9.810 2.890 11.666 1.00 10.31 H new ATOM 1571 N PHE A 99 10.479 1.666 5.703 1.00 35.20 N ATOM 1572 CA PHE A 99 9.889 0.406 5.224 1.00 60.24 C ATOM 1573 C PHE A 99 10.738 -0.215 4.092 1.00 12.33 C ATOM 1574 O PHE A 99 10.446 -0.026 2.909 1.00 72.44 O ATOM 1575 CB PHE A 99 8.458 0.650 4.716 1.00 14.41 C ATOM 1576 CG PHE A 99 7.498 1.151 5.768 1.00 43.32 C ATOM 1577 CD1 PHE A 99 7.404 2.507 6.064 1.00 3.54 C ATOM 1578 CD2 PHE A 99 6.675 0.265 6.452 1.00 23.30 C ATOM 1579 CE1 PHE A 99 6.512 2.962 7.017 1.00 40.04 C ATOM 1580 CE2 PHE A 99 5.787 0.717 7.406 1.00 53.02 C ATOM 1581 CZ PHE A 99 5.706 2.066 7.689 1.00 10.34 C ATOM 0 H PHE A 99 10.670 2.340 4.962 1.00 35.20 H new ATOM 0 HA PHE A 99 9.866 -0.291 6.062 1.00 60.24 H new ATOM 0 HB2 PHE A 99 8.494 1.373 3.901 1.00 14.41 H new ATOM 0 HB3 PHE A 99 8.070 -0.280 4.301 1.00 14.41 H new ATOM 0 HD1 PHE A 99 8.035 3.212 5.543 1.00 3.54 H new ATOM 0 HD2 PHE A 99 6.731 -0.791 6.234 1.00 23.30 H new ATOM 0 HE1 PHE A 99 6.446 4.018 7.235 1.00 40.04 H new ATOM 0 HE2 PHE A 99 5.155 0.016 7.931 1.00 53.02 H new ATOM 0 HZ PHE A 99 5.012 2.420 8.437 1.00 10.34 H new ATOM 1591 N PRO A 100 11.797 -0.971 4.443 1.00 23.44 N ATOM 1592 CA PRO A 100 12.742 -1.544 3.459 1.00 33.54 C ATOM 1593 C PRO A 100 12.114 -2.572 2.497 1.00 72.31 C ATOM 1594 O PRO A 100 12.604 -2.764 1.380 1.00 72.53 O ATOM 1595 CB PRO A 100 13.803 -2.223 4.343 1.00 43.34 C ATOM 1596 CG PRO A 100 13.116 -2.470 5.642 1.00 52.41 C ATOM 1597 CD PRO A 100 12.167 -1.321 5.826 1.00 13.10 C ATOM 0 HA PRO A 100 13.126 -0.768 2.797 1.00 33.54 H new ATOM 0 HB2 PRO A 100 14.152 -3.154 3.897 1.00 43.34 H new ATOM 0 HB3 PRO A 100 14.677 -1.585 4.473 1.00 43.34 H new ATOM 0 HG2 PRO A 100 12.582 -3.420 5.628 1.00 52.41 H new ATOM 0 HG3 PRO A 100 13.834 -2.520 6.461 1.00 52.41 H new ATOM 0 HD2 PRO A 100 11.297 -1.607 6.416 1.00 13.10 H new ATOM 0 HD3 PRO A 100 12.641 -0.485 6.341 1.00 13.10 H new ATOM 1605 N GLU A 101 11.043 -3.240 2.927 1.00 2.25 N ATOM 1606 CA GLU A 101 10.414 -4.292 2.108 1.00 1.11 C ATOM 1607 C GLU A 101 9.281 -3.753 1.223 1.00 11.25 C ATOM 1608 O GLU A 101 8.730 -4.487 0.400 1.00 2.42 O ATOM 1609 CB GLU A 101 9.897 -5.432 3.000 1.00 14.54 C ATOM 1610 CG GLU A 101 11.005 -6.186 3.732 1.00 54.23 C ATOM 1611 CD GLU A 101 10.487 -7.359 4.551 1.00 51.11 C ATOM 1612 OE1 GLU A 101 10.276 -8.448 3.973 1.00 14.13 O ATOM 1613 OE2 GLU A 101 10.298 -7.201 5.779 1.00 44.32 O ATOM 0 H GLU A 101 10.592 -3.078 3.828 1.00 2.25 H new ATOM 0 HA GLU A 101 11.186 -4.677 1.441 1.00 1.11 H new ATOM 0 HB2 GLU A 101 9.202 -5.022 3.733 1.00 14.54 H new ATOM 0 HB3 GLU A 101 9.334 -6.136 2.386 1.00 14.54 H new ATOM 0 HG2 GLU A 101 11.730 -6.550 3.005 1.00 54.23 H new ATOM 0 HG3 GLU A 101 11.533 -5.496 4.390 1.00 54.23 H new ATOM 1620 N VAL A 102 8.936 -2.476 1.376 1.00 22.41 N ATOM 1621 CA VAL A 102 7.901 -1.858 0.536 1.00 62.34 C ATOM 1622 C VAL A 102 8.537 -1.135 -0.665 1.00 41.03 C ATOM 1623 O VAL A 102 9.471 -0.348 -0.505 1.00 5.31 O ATOM 1624 CB VAL A 102 7.025 -0.863 1.340 1.00 24.33 C ATOM 1625 CG1 VAL A 102 5.960 -0.228 0.444 1.00 43.35 C ATOM 1626 CG2 VAL A 102 6.376 -1.558 2.539 1.00 44.34 C ATOM 0 H VAL A 102 9.351 -1.850 2.066 1.00 22.41 H new ATOM 0 HA VAL A 102 7.258 -2.661 0.175 1.00 62.34 H new ATOM 0 HB VAL A 102 7.672 -0.070 1.714 1.00 24.33 H new ATOM 0 HG11 VAL A 102 5.358 0.466 1.030 1.00 43.35 H new ATOM 0 HG12 VAL A 102 6.444 0.310 -0.371 1.00 43.35 H new ATOM 0 HG13 VAL A 102 5.318 -1.007 0.033 1.00 43.35 H new ATOM 0 HG21 VAL A 102 5.766 -0.841 3.089 1.00 44.34 H new ATOM 0 HG22 VAL A 102 5.747 -2.376 2.189 1.00 44.34 H new ATOM 0 HG23 VAL A 102 7.152 -1.952 3.195 1.00 44.34 H new ATOM 1636 N VAL A 103 8.034 -1.412 -1.865 1.00 41.34 N ATOM 1637 CA VAL A 103 8.600 -0.844 -3.097 1.00 22.02 C ATOM 1638 C VAL A 103 8.108 0.592 -3.344 1.00 3.35 C ATOM 1639 O VAL A 103 6.908 0.849 -3.388 1.00 24.43 O ATOM 1640 CB VAL A 103 8.244 -1.721 -4.326 1.00 75.10 C ATOM 1641 CG1 VAL A 103 8.819 -1.131 -5.616 1.00 62.11 C ATOM 1642 CG2 VAL A 103 8.730 -3.154 -4.115 1.00 63.44 C ATOM 0 H VAL A 103 7.234 -2.027 -2.016 1.00 41.34 H new ATOM 0 HA VAL A 103 9.682 -0.823 -2.964 1.00 22.02 H new ATOM 0 HB VAL A 103 7.159 -1.736 -4.429 1.00 75.10 H new ATOM 0 HG11 VAL A 103 8.552 -1.769 -6.459 1.00 62.11 H new ATOM 0 HG12 VAL A 103 8.411 -0.133 -5.773 1.00 62.11 H new ATOM 0 HG13 VAL A 103 9.904 -1.071 -5.536 1.00 62.11 H new ATOM 0 HG21 VAL A 103 8.473 -3.757 -4.986 1.00 63.44 H new ATOM 0 HG22 VAL A 103 9.812 -3.155 -3.979 1.00 63.44 H new ATOM 0 HG23 VAL A 103 8.253 -3.573 -3.229 1.00 63.44 H new ATOM 1652 N PHE A 104 9.044 1.523 -3.514 1.00 53.43 N ATOM 1653 CA PHE A 104 8.702 2.925 -3.789 1.00 22.41 C ATOM 1654 C PHE A 104 9.277 3.395 -5.134 1.00 70.53 C ATOM 1655 O PHE A 104 10.475 3.253 -5.398 1.00 5.04 O ATOM 1656 CB PHE A 104 9.227 3.844 -2.670 1.00 72.31 C ATOM 1657 CG PHE A 104 8.427 3.800 -1.389 1.00 1.42 C ATOM 1658 CD1 PHE A 104 8.527 2.723 -0.522 1.00 65.41 C ATOM 1659 CD2 PHE A 104 7.580 4.847 -1.047 1.00 14.32 C ATOM 1660 CE1 PHE A 104 7.804 2.691 0.654 1.00 5.31 C ATOM 1661 CE2 PHE A 104 6.853 4.817 0.129 1.00 4.43 C ATOM 1662 CZ PHE A 104 6.967 3.736 0.981 1.00 3.11 C ATOM 0 H PHE A 104 10.046 1.337 -3.467 1.00 53.43 H new ATOM 0 HA PHE A 104 7.615 2.984 -3.833 1.00 22.41 H new ATOM 0 HB2 PHE A 104 10.258 3.570 -2.448 1.00 72.31 H new ATOM 0 HB3 PHE A 104 9.242 4.870 -3.038 1.00 72.31 H new ATOM 0 HD1 PHE A 104 9.179 1.898 -0.770 1.00 65.41 H new ATOM 0 HD2 PHE A 104 7.488 5.696 -1.709 1.00 14.32 H new ATOM 0 HE1 PHE A 104 7.895 1.845 1.319 1.00 5.31 H new ATOM 0 HE2 PHE A 104 6.197 5.637 0.381 1.00 4.43 H new ATOM 0 HZ PHE A 104 6.402 3.710 1.901 1.00 3.11 H new ATOM 1672 N SER A 105 8.418 3.954 -5.979 1.00 44.10 N ATOM 1673 CA SER A 105 8.850 4.580 -7.237 1.00 51.12 C ATOM 1674 C SER A 105 9.110 6.079 -7.021 1.00 30.11 C ATOM 1675 O SER A 105 8.231 6.803 -6.552 1.00 42.11 O ATOM 1676 CB SER A 105 7.786 4.382 -8.329 1.00 72.22 C ATOM 1677 OG SER A 105 7.497 3.004 -8.523 1.00 3.02 O ATOM 0 H SER A 105 7.411 3.990 -5.820 1.00 44.10 H new ATOM 0 HA SER A 105 9.775 4.103 -7.561 1.00 51.12 H new ATOM 0 HB2 SER A 105 6.874 4.912 -8.052 1.00 72.22 H new ATOM 0 HB3 SER A 105 8.136 4.818 -9.265 1.00 72.22 H new ATOM 0 HG SER A 105 6.816 2.908 -9.221 1.00 3.02 H new