USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 546 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 62 TYR OH : rot 180:sc= 0.514 USER MOD Set 1.2: A 100 MET CE :methyl -133:sc= -0.771 (180deg=-1.73) USER MOD Set 1.3: A 104 THR OG1 : rot 143:sc= 1.81 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0.00505 USER MOD Set 2.2: A 58 ASN : amide:sc= 0.926 K(o=2.6,f=-3.7!) USER MOD Set 2.3: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 2.4: A 61 THR OG1 : rot -96:sc= 1.68 USER MOD Set 3.1: A 54 MET CE :methyl -132:sc= -0.292 (180deg=-0.809) USER MOD Set 3.2: A 68 THR OG1 : rot -52:sc= 1.23 USER MOD Set 4.1: A 50 SER OG : rot -107:sc= 2.23 USER MOD Set 4.2: A 76 ASN : amide:sc= -0.0886 K(o=3.3,f=0.42!) USER MOD Set 4.3: A 78 THR OG1 : rot 126:sc= 1.14 USER MOD Single : A 28 GLN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 31 SER OG : rot -74:sc= 1.18 USER MOD Single : A 36 SER OG : rot -148:sc= 1.19 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0885 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.488 K(o=0.49,f=-5!) USER MOD Single : A 56 THR OG1 : rot 43:sc= 0.477 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc=-0.00764 (180deg=-0.136) USER MOD Single : A 70 SER OG : rot 84:sc= 1.23 USER MOD Single : A 79 THR OG1 : rot -49:sc= 1.19 USER MOD Single : A 81 GLN : amide:sc= -1.19 K(o=-1.2,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 85 HIS : no HD1:sc=-0.00893 X(o=-0.0089,f=-0.00082) USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= -0.643 (180deg=-0.673) USER MOD Single : A 88 THR OG1 : rot 179:sc= 0.73 USER MOD Single : A 99 TYR OH : rot 30:sc= 1.11 USER MOD Single : A 105 SER OG : rot -18:sc= 0.801 USER MOD Single : A 106 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 0.956 -6.689 2.429 1.00 0.00 N ATOM 33 CA ASP A 25 2.191 -6.353 3.144 1.00 0.00 C ATOM 34 C ASP A 25 2.296 -4.850 3.386 1.00 0.00 C ATOM 35 O ASP A 25 2.889 -4.405 4.369 1.00 0.00 O ATOM 36 CB ASP A 25 3.416 -6.841 2.359 1.00 0.00 C ATOM 37 CG ASP A 25 4.720 -6.630 3.103 1.00 0.00 C ATOM 38 OD1 ASP A 25 4.768 -6.900 4.323 1.00 0.00 O ATOM 39 OD2 ASP A 25 5.714 -6.220 2.467 1.00 0.00 O ATOM 0 HA ASP A 25 2.163 -6.856 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.299 -7.902 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.460 -6.318 1.404 1.00 0.00 H new ATOM 44 N GLY A 26 1.702 -4.074 2.497 1.00 0.00 N ATOM 45 CA GLY A 26 1.738 -2.636 2.626 1.00 0.00 C ATOM 46 C GLY A 26 1.189 -1.950 1.396 1.00 0.00 C ATOM 47 O GLY A 26 1.528 -2.322 0.271 1.00 0.00 O ATOM 0 H GLY A 26 1.192 -4.417 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.160 -2.334 3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.765 -2.312 2.796 1.00 0.00 H new ATOM 51 N VAL A 27 0.338 -0.961 1.606 1.00 0.00 N ATOM 52 CA VAL A 27 -0.255 -0.217 0.503 1.00 0.00 C ATOM 53 C VAL A 27 0.754 0.763 -0.081 1.00 0.00 C ATOM 54 O VAL A 27 1.680 1.193 0.604 1.00 0.00 O ATOM 55 CB VAL A 27 -1.518 0.550 0.952 1.00 0.00 C ATOM 56 CG1 VAL A 27 -2.635 -0.419 1.300 1.00 0.00 C ATOM 57 CG2 VAL A 27 -1.208 1.454 2.138 1.00 0.00 C ATOM 0 H VAL A 27 0.040 -0.652 2.531 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.544 -0.940 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.849 1.176 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.517 0.140 1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.880 -1.021 0.425 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.311 -1.072 2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.112 1.984 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.849 0.850 2.971 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.441 2.175 1.855 1.00 0.00 H new ATOM 67 N GLN A 28 0.594 1.111 -1.347 1.00 0.00 N ATOM 68 CA GLN A 28 1.525 2.031 -1.977 1.00 0.00 C ATOM 69 C GLN A 28 0.827 3.323 -2.379 1.00 0.00 C ATOM 70 O GLN A 28 -0.368 3.335 -2.674 1.00 0.00 O ATOM 71 CB GLN A 28 2.199 1.378 -3.187 1.00 0.00 C ATOM 72 CG GLN A 28 3.186 2.290 -3.900 1.00 0.00 C ATOM 73 CD GLN A 28 4.111 1.549 -4.839 1.00 0.00 C ATOM 74 OE1 GLN A 28 3.818 1.368 -6.018 1.00 0.00 O ATOM 75 NE2 GLN A 28 5.245 1.116 -4.315 1.00 0.00 N ATOM 0 H GLN A 28 -0.158 0.777 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 28 2.298 2.279 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 28 2.720 0.478 -2.860 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.431 1.064 -3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 28 2.634 3.042 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.782 2.821 -3.158 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.450 1.287 -3.331 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.915 0.611 -4.895 1.00 0.00 H new ATOM 84 N ILE A 29 1.577 4.411 -2.364 1.00 0.00 N ATOM 85 CA ILE A 29 1.063 5.705 -2.773 1.00 0.00 C ATOM 86 C ILE A 29 1.065 5.806 -4.289 1.00 0.00 C ATOM 87 O ILE A 29 2.121 5.801 -4.918 1.00 0.00 O ATOM 88 CB ILE A 29 1.900 6.863 -2.191 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.933 6.783 -0.663 1.00 0.00 C ATOM 90 CG2 ILE A 29 1.341 8.206 -2.640 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.804 7.836 -0.011 1.00 0.00 C ATOM 0 H ILE A 29 2.554 4.422 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 29 0.046 5.790 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 29 2.920 6.772 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.916 6.880 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.291 5.796 -0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.945 9.010 -2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.366 8.265 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.312 8.306 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.775 7.713 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.830 7.727 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.434 8.827 -0.273 1.00 0.00 H new ATOM 103 N ASP A 30 -0.121 5.893 -4.863 1.00 0.00 N ATOM 104 CA ASP A 30 -0.274 5.973 -6.309 1.00 0.00 C ATOM 105 C ASP A 30 0.214 7.325 -6.812 1.00 0.00 C ATOM 106 O ASP A 30 1.232 7.425 -7.497 1.00 0.00 O ATOM 107 CB ASP A 30 -1.743 5.772 -6.687 1.00 0.00 C ATOM 108 CG ASP A 30 -1.977 5.768 -8.184 1.00 0.00 C ATOM 109 OD1 ASP A 30 -2.175 6.859 -8.759 1.00 0.00 O ATOM 110 OD2 ASP A 30 -1.989 4.673 -8.790 1.00 0.00 O ATOM 0 H ASP A 30 -1.001 5.910 -4.347 1.00 0.00 H new ATOM 0 HA ASP A 30 0.324 5.189 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.094 4.829 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.340 6.564 -6.234 1.00 0.00 H new ATOM 115 N SER A 31 -0.514 8.366 -6.443 1.00 0.00 N ATOM 116 CA SER A 31 -0.169 9.719 -6.843 1.00 0.00 C ATOM 117 C SER A 31 -0.820 10.725 -5.903 1.00 0.00 C ATOM 118 O SER A 31 -1.842 10.430 -5.285 1.00 0.00 O ATOM 119 CB SER A 31 -0.605 9.963 -8.289 1.00 0.00 C ATOM 120 OG SER A 31 -1.913 9.467 -8.518 1.00 0.00 O ATOM 0 H SER A 31 -1.351 8.299 -5.864 1.00 0.00 H new ATOM 0 HA SER A 31 0.912 9.846 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.574 11.031 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.095 9.479 -8.970 1.00 0.00 H new ATOM 0 HG SER A 31 -1.889 8.488 -8.559 1.00 0.00 H new ATOM 126 N VAL A 32 -0.220 11.898 -5.780 1.00 0.00 N ATOM 127 CA VAL A 32 -0.773 12.954 -4.945 1.00 0.00 C ATOM 128 C VAL A 32 -1.852 13.703 -5.716 1.00 0.00 C ATOM 129 O VAL A 32 -1.629 14.130 -6.847 1.00 0.00 O ATOM 130 CB VAL A 32 0.318 13.952 -4.494 1.00 0.00 C ATOM 131 CG1 VAL A 32 -0.280 15.074 -3.659 1.00 0.00 C ATOM 132 CG2 VAL A 32 1.412 13.238 -3.720 1.00 0.00 C ATOM 0 H VAL A 32 0.652 12.144 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.199 12.489 -4.056 1.00 0.00 H new ATOM 0 HB VAL A 32 0.759 14.393 -5.388 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.509 15.762 -3.355 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.022 15.611 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.756 14.654 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.170 13.959 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.983 12.763 -2.838 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.870 12.479 -4.354 1.00 0.00 H new ATOM 142 N VAL A 33 -3.019 13.846 -5.112 1.00 0.00 N ATOM 143 CA VAL A 33 -4.133 14.508 -5.753 1.00 0.00 C ATOM 144 C VAL A 33 -4.140 15.994 -5.405 1.00 0.00 C ATOM 145 O VAL A 33 -3.512 16.410 -4.430 1.00 0.00 O ATOM 146 CB VAL A 33 -5.475 13.872 -5.331 1.00 0.00 C ATOM 147 CG1 VAL A 33 -5.509 12.390 -5.678 1.00 0.00 C ATOM 148 CG2 VAL A 33 -5.750 14.089 -3.847 1.00 0.00 C ATOM 0 H VAL A 33 -3.217 13.508 -4.170 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.015 14.390 -6.830 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.266 14.370 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.465 11.966 -5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.386 12.265 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.700 11.876 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.702 13.629 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.952 13.635 -3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.793 15.158 -3.637 1.00 0.00 H new ATOM 158 N PRO A 34 -4.812 16.818 -6.221 1.00 0.00 N ATOM 159 CA PRO A 34 -4.986 18.238 -5.925 1.00 0.00 C ATOM 160 C PRO A 34 -5.790 18.451 -4.641 1.00 0.00 C ATOM 161 O PRO A 34 -7.004 18.230 -4.606 1.00 0.00 O ATOM 162 CB PRO A 34 -5.745 18.780 -7.140 1.00 0.00 C ATOM 163 CG PRO A 34 -6.356 17.583 -7.785 1.00 0.00 C ATOM 164 CD PRO A 34 -5.431 16.438 -7.501 1.00 0.00 C ATOM 0 HA PRO A 34 -4.034 18.743 -5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.508 19.498 -6.839 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.073 19.297 -7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.350 17.389 -7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.470 17.735 -8.858 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.970 15.494 -7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.687 16.316 -8.288 1.00 0.00 H new ATOM 172 N GLY A 35 -5.099 18.853 -3.586 1.00 0.00 N ATOM 173 CA GLY A 35 -5.734 19.042 -2.299 1.00 0.00 C ATOM 174 C GLY A 35 -4.911 18.460 -1.167 1.00 0.00 C ATOM 175 O GLY A 35 -4.164 17.500 -1.374 1.00 0.00 O ATOM 0 H GLY A 35 -4.099 19.054 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.889 20.107 -2.124 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.719 18.574 -2.309 1.00 0.00 H new ATOM 179 N SER A 36 -5.036 19.057 0.018 1.00 0.00 N ATOM 180 CA SER A 36 -4.316 18.615 1.215 1.00 0.00 C ATOM 181 C SER A 36 -2.817 18.933 1.126 1.00 0.00 C ATOM 182 O SER A 36 -2.254 19.044 0.033 1.00 0.00 O ATOM 183 CB SER A 36 -4.544 17.124 1.462 1.00 0.00 C ATOM 184 OG SER A 36 -5.923 16.839 1.621 1.00 0.00 O ATOM 0 H SER A 36 -5.641 19.863 0.177 1.00 0.00 H new ATOM 0 HA SER A 36 -4.716 19.170 2.064 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.144 16.548 0.627 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.000 16.812 2.353 1.00 0.00 H new ATOM 0 HG SER A 36 -6.032 16.085 2.238 1.00 0.00 H new ATOM 190 N PRO A 37 -2.146 19.096 2.282 1.00 0.00 N ATOM 191 CA PRO A 37 -0.733 19.480 2.336 1.00 0.00 C ATOM 192 C PRO A 37 0.223 18.301 2.170 1.00 0.00 C ATOM 193 O PRO A 37 1.416 18.424 2.430 1.00 0.00 O ATOM 194 CB PRO A 37 -0.606 20.077 3.731 1.00 0.00 C ATOM 195 CG PRO A 37 -1.585 19.317 4.556 1.00 0.00 C ATOM 196 CD PRO A 37 -2.718 18.939 3.637 1.00 0.00 C ATOM 0 HA PRO A 37 -0.465 20.156 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.407 19.968 4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.833 21.143 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.122 18.429 4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.945 19.924 5.387 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.051 17.916 3.814 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.583 19.586 3.783 1.00 0.00 H new ATOM 204 N ALA A 38 -0.298 17.173 1.719 1.00 0.00 N ATOM 205 CA ALA A 38 0.511 15.972 1.535 1.00 0.00 C ATOM 206 C ALA A 38 1.647 16.210 0.545 1.00 0.00 C ATOM 207 O ALA A 38 2.751 15.690 0.713 1.00 0.00 O ATOM 208 CB ALA A 38 -0.355 14.820 1.058 1.00 0.00 C ATOM 0 H ALA A 38 -1.281 17.060 1.472 1.00 0.00 H new ATOM 0 HA ALA A 38 0.949 15.718 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.262 13.931 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.130 14.617 1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.820 15.084 0.108 1.00 0.00 H new ATOM 214 N SER A 39 1.378 17.026 -0.464 1.00 0.00 N ATOM 215 CA SER A 39 2.326 17.265 -1.542 1.00 0.00 C ATOM 216 C SER A 39 3.589 17.989 -1.059 1.00 0.00 C ATOM 217 O SER A 39 4.639 17.906 -1.700 1.00 0.00 O ATOM 218 CB SER A 39 1.636 18.069 -2.641 1.00 0.00 C ATOM 219 OG SER A 39 0.633 18.907 -2.089 1.00 0.00 O ATOM 0 H SER A 39 0.501 17.539 -0.558 1.00 0.00 H new ATOM 0 HA SER A 39 2.650 16.299 -1.930 1.00 0.00 H new ATOM 0 HB2 SER A 39 2.371 18.673 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.191 17.392 -3.370 1.00 0.00 H new ATOM 0 HG SER A 39 0.201 19.417 -2.806 1.00 0.00 H new ATOM 225 N LYS A 40 3.491 18.691 0.065 1.00 0.00 N ATOM 226 CA LYS A 40 4.642 19.412 0.606 1.00 0.00 C ATOM 227 C LYS A 40 5.291 18.627 1.742 1.00 0.00 C ATOM 228 O LYS A 40 6.267 19.080 2.342 1.00 0.00 O ATOM 229 CB LYS A 40 4.237 20.807 1.098 1.00 0.00 C ATOM 230 CG LYS A 40 3.243 20.787 2.248 1.00 0.00 C ATOM 231 CD LYS A 40 2.997 22.175 2.819 1.00 0.00 C ATOM 232 CE LYS A 40 2.380 23.116 1.796 1.00 0.00 C ATOM 233 NZ LYS A 40 2.082 24.450 2.385 1.00 0.00 N ATOM 0 H LYS A 40 2.637 18.777 0.616 1.00 0.00 H new ATOM 0 HA LYS A 40 5.367 19.526 -0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.131 21.345 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.805 21.364 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.299 20.366 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.615 20.132 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.338 22.099 3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.940 22.593 3.172 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.061 23.234 0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.462 22.677 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.663 25.064 1.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.413 24.340 3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.962 24.879 2.735 1.00 0.00 H new ATOM 247 N VAL A 41 4.752 17.451 2.031 1.00 0.00 N ATOM 248 CA VAL A 41 5.260 16.627 3.120 1.00 0.00 C ATOM 249 C VAL A 41 5.949 15.376 2.584 1.00 0.00 C ATOM 250 O VAL A 41 7.118 15.125 2.885 1.00 0.00 O ATOM 251 CB VAL A 41 4.136 16.212 4.098 1.00 0.00 C ATOM 252 CG1 VAL A 41 4.683 15.333 5.213 1.00 0.00 C ATOM 253 CG2 VAL A 41 3.450 17.437 4.679 1.00 0.00 C ATOM 0 H VAL A 41 3.963 17.046 1.527 1.00 0.00 H new ATOM 0 HA VAL A 41 5.985 17.235 3.662 1.00 0.00 H new ATOM 0 HB VAL A 41 3.400 15.636 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.873 15.055 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.123 14.433 4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.445 15.881 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.663 17.122 5.364 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.180 18.042 5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.015 18.027 3.872 1.00 0.00 H new ATOM 263 N LEU A 42 5.232 14.597 1.784 1.00 0.00 N ATOM 264 CA LEU A 42 5.766 13.350 1.268 1.00 0.00 C ATOM 265 C LEU A 42 5.847 13.352 -0.250 1.00 0.00 C ATOM 266 O LEU A 42 5.508 14.335 -0.909 1.00 0.00 O ATOM 267 CB LEU A 42 4.934 12.165 1.758 1.00 0.00 C ATOM 268 CG LEU A 42 3.417 12.376 1.805 1.00 0.00 C ATOM 269 CD1 LEU A 42 2.809 12.317 0.410 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.778 11.344 2.717 1.00 0.00 C ATOM 0 H LEU A 42 4.281 14.809 1.481 1.00 0.00 H new ATOM 0 HA LEU A 42 6.782 13.249 1.649 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.141 11.311 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.274 11.898 2.759 1.00 0.00 H new ATOM 0 HG LEU A 42 3.220 13.370 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.732 12.470 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.249 13.097 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.010 11.342 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.700 11.501 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.989 10.344 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.185 11.445 3.723 1.00 0.00 H new ATOM 282 N THR A 43 6.301 12.239 -0.786 1.00 0.00 N ATOM 283 CA THR A 43 6.451 12.072 -2.220 1.00 0.00 C ATOM 284 C THR A 43 5.588 10.905 -2.703 1.00 0.00 C ATOM 285 O THR A 43 5.563 9.849 -2.071 1.00 0.00 O ATOM 286 CB THR A 43 7.930 11.810 -2.578 1.00 0.00 C ATOM 287 OG1 THR A 43 8.761 12.804 -1.962 1.00 0.00 O ATOM 288 CG2 THR A 43 8.149 11.835 -4.083 1.00 0.00 C ATOM 0 H THR A 43 6.577 11.422 -0.241 1.00 0.00 H new ATOM 0 HA THR A 43 6.126 12.988 -2.713 1.00 0.00 H new ATOM 0 HB THR A 43 8.194 10.819 -2.208 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.699 12.633 -2.190 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.200 11.647 -4.301 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.538 11.064 -4.552 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.866 12.812 -4.476 1.00 0.00 H new ATOM 296 N PRO A 44 4.847 11.082 -3.807 1.00 0.00 N ATOM 297 CA PRO A 44 4.047 10.003 -4.389 1.00 0.00 C ATOM 298 C PRO A 44 4.924 8.874 -4.923 1.00 0.00 C ATOM 299 O PRO A 44 6.026 9.114 -5.417 1.00 0.00 O ATOM 300 CB PRO A 44 3.283 10.684 -5.530 1.00 0.00 C ATOM 301 CG PRO A 44 4.073 11.905 -5.850 1.00 0.00 C ATOM 302 CD PRO A 44 4.721 12.337 -4.564 1.00 0.00 C ATOM 0 HA PRO A 44 3.390 9.537 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.202 10.028 -6.397 1.00 0.00 H new ATOM 0 HB3 PRO A 44 2.267 10.939 -5.227 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.823 11.694 -6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.430 12.692 -6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.692 12.800 -4.739 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.111 13.067 -4.032 1.00 0.00 H new ATOM 310 N GLY A 45 4.437 7.647 -4.814 1.00 0.00 N ATOM 311 CA GLY A 45 5.207 6.505 -5.272 1.00 0.00 C ATOM 312 C GLY A 45 5.953 5.808 -4.151 1.00 0.00 C ATOM 313 O GLY A 45 6.816 4.967 -4.401 1.00 0.00 O ATOM 0 H GLY A 45 3.525 7.420 -4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.538 5.792 -5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.921 6.834 -6.027 1.00 0.00 H new ATOM 317 N LEU A 46 5.640 6.167 -2.913 1.00 0.00 N ATOM 318 CA LEU A 46 6.251 5.522 -1.760 1.00 0.00 C ATOM 319 C LEU A 46 5.330 4.445 -1.200 1.00 0.00 C ATOM 320 O LEU A 46 4.149 4.395 -1.530 1.00 0.00 O ATOM 321 CB LEU A 46 6.570 6.547 -0.669 1.00 0.00 C ATOM 322 CG LEU A 46 7.508 7.680 -1.088 1.00 0.00 C ATOM 323 CD1 LEU A 46 7.776 8.612 0.081 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.811 7.124 -1.632 1.00 0.00 C ATOM 0 H LEU A 46 4.968 6.899 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 46 7.181 5.059 -2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.634 6.983 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 46 7.014 6.025 0.178 1.00 0.00 H new ATOM 0 HG LEU A 46 7.021 8.250 -1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.445 9.411 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.836 9.042 0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.239 8.053 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.464 7.947 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.301 6.527 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.605 6.498 -2.500 1.00 0.00 H new ATOM 336 N VAL A 47 5.879 3.582 -0.359 1.00 0.00 N ATOM 337 CA VAL A 47 5.095 2.534 0.287 1.00 0.00 C ATOM 338 C VAL A 47 4.679 2.981 1.687 1.00 0.00 C ATOM 339 O VAL A 47 5.452 3.638 2.382 1.00 0.00 O ATOM 340 CB VAL A 47 5.893 1.212 0.388 1.00 0.00 C ATOM 341 CG1 VAL A 47 5.027 0.091 0.950 1.00 0.00 C ATOM 342 CG2 VAL A 47 6.460 0.826 -0.970 1.00 0.00 C ATOM 0 H VAL A 47 6.867 3.585 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 47 4.210 2.357 -0.324 1.00 0.00 H new ATOM 0 HB VAL A 47 6.724 1.370 1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.613 -0.826 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.678 0.365 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.169 -0.069 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.018 -0.106 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.644 0.693 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.125 1.614 -1.324 1.00 0.00 H new ATOM 352 N ILE A 48 3.457 2.651 2.081 1.00 0.00 N ATOM 353 CA ILE A 48 2.955 2.991 3.405 1.00 0.00 C ATOM 354 C ILE A 48 2.956 1.765 4.307 1.00 0.00 C ATOM 355 O ILE A 48 2.246 0.791 4.050 1.00 0.00 O ATOM 356 CB ILE A 48 1.524 3.567 3.340 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.490 4.816 2.456 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.013 3.889 4.739 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.100 5.390 2.265 1.00 0.00 C ATOM 0 H ILE A 48 2.791 2.145 1.498 1.00 0.00 H new ATOM 0 HA ILE A 48 3.619 3.752 3.815 1.00 0.00 H new ATOM 0 HB ILE A 48 0.869 2.815 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.131 5.579 2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.910 4.571 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.003 4.294 4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.001 2.980 5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.669 4.624 5.206 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.155 6.273 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.541 4.643 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.315 5.667 3.234 1.00 0.00 H new ATOM 371 N GLU A 49 3.766 1.816 5.352 1.00 0.00 N ATOM 372 CA GLU A 49 3.824 0.743 6.330 1.00 0.00 C ATOM 373 C GLU A 49 2.653 0.843 7.292 1.00 0.00 C ATOM 374 O GLU A 49 1.881 -0.100 7.469 1.00 0.00 O ATOM 375 CB GLU A 49 5.120 0.824 7.132 1.00 0.00 C ATOM 376 CG GLU A 49 5.305 -0.333 8.102 1.00 0.00 C ATOM 377 CD GLU A 49 6.112 0.051 9.325 1.00 0.00 C ATOM 378 OE1 GLU A 49 5.526 0.639 10.259 1.00 0.00 O ATOM 379 OE2 GLU A 49 7.325 -0.244 9.368 1.00 0.00 O ATOM 0 H GLU A 49 4.396 2.595 5.545 1.00 0.00 H new ATOM 0 HA GLU A 49 3.782 -0.205 5.793 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.964 0.849 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.136 1.761 7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.327 -0.697 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.801 -1.156 7.588 1.00 0.00 H new ATOM 386 N SER A 50 2.527 1.997 7.910 1.00 0.00 N ATOM 387 CA SER A 50 1.548 2.173 8.959 1.00 0.00 C ATOM 388 C SER A 50 1.010 3.589 9.007 1.00 0.00 C ATOM 389 O SER A 50 1.721 4.554 8.711 1.00 0.00 O ATOM 390 CB SER A 50 2.165 1.805 10.312 1.00 0.00 C ATOM 391 OG SER A 50 3.461 2.370 10.458 1.00 0.00 O ATOM 0 H SER A 50 3.088 2.824 7.705 1.00 0.00 H new ATOM 0 HA SER A 50 0.710 1.511 8.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.519 2.157 11.117 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.226 0.721 10.404 1.00 0.00 H new ATOM 0 HG SER A 50 4.137 1.665 10.372 1.00 0.00 H new ATOM 397 N ILE A 51 -0.256 3.693 9.377 1.00 0.00 N ATOM 398 CA ILE A 51 -0.893 4.981 9.609 1.00 0.00 C ATOM 399 C ILE A 51 -1.321 5.073 11.066 1.00 0.00 C ATOM 400 O ILE A 51 -2.186 4.318 11.507 1.00 0.00 O ATOM 401 CB ILE A 51 -2.122 5.213 8.699 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.697 5.220 7.229 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.824 6.523 9.063 1.00 0.00 C ATOM 404 CD1 ILE A 51 -2.829 5.521 6.266 1.00 0.00 C ATOM 0 H ILE A 51 -0.869 2.892 9.525 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.162 5.753 9.369 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.827 4.396 8.853 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.909 5.961 7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.269 4.249 6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.686 6.667 8.411 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.156 6.482 10.100 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.131 7.355 8.937 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.450 5.508 5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.608 4.767 6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.243 6.505 6.487 1.00 0.00 H new ATOM 416 N ASN A 52 -0.713 5.997 11.808 1.00 0.00 N ATOM 417 CA ASN A 52 -0.903 6.069 13.253 1.00 0.00 C ATOM 418 C ASN A 52 -0.391 4.762 13.856 1.00 0.00 C ATOM 419 O ASN A 52 0.501 4.131 13.283 1.00 0.00 O ATOM 420 CB ASN A 52 -2.382 6.315 13.594 1.00 0.00 C ATOM 421 CG ASN A 52 -2.588 6.871 14.994 1.00 0.00 C ATOM 422 OD1 ASN A 52 -2.741 6.122 15.962 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.604 8.188 15.109 1.00 0.00 N ATOM 0 H ASN A 52 -0.084 6.706 11.431 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.345 6.906 13.673 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.805 7.009 12.868 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.931 5.379 13.497 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.747 8.618 16.023 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.474 8.774 14.284 1.00 0.00 H new ATOM 430 N GLY A 53 -0.923 4.351 14.994 1.00 0.00 N ATOM 431 CA GLY A 53 -0.537 3.076 15.563 1.00 0.00 C ATOM 432 C GLY A 53 -1.245 1.907 14.892 1.00 0.00 C ATOM 433 O GLY A 53 -1.357 0.828 15.470 1.00 0.00 O ATOM 0 H GLY A 53 -1.613 4.874 15.534 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.541 2.949 15.467 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.764 3.072 16.629 1.00 0.00 H new ATOM 437 N MET A 54 -1.726 2.126 13.673 1.00 0.00 N ATOM 438 CA MET A 54 -2.447 1.099 12.930 1.00 0.00 C ATOM 439 C MET A 54 -1.775 0.854 11.584 1.00 0.00 C ATOM 440 O MET A 54 -1.862 1.681 10.676 1.00 0.00 O ATOM 441 CB MET A 54 -3.906 1.516 12.712 1.00 0.00 C ATOM 442 CG MET A 54 -4.686 1.711 14.001 1.00 0.00 C ATOM 443 SD MET A 54 -6.342 2.371 13.720 1.00 0.00 S ATOM 444 CE MET A 54 -5.951 3.977 13.026 1.00 0.00 C ATOM 0 H MET A 54 -1.629 3.011 13.176 1.00 0.00 H new ATOM 0 HA MET A 54 -2.428 0.178 13.513 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.928 2.444 12.141 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.404 0.758 12.107 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.763 0.757 14.522 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.136 2.388 14.655 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.541 4.744 13.528 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.890 4.185 13.166 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.184 3.980 11.961 1.00 0.00 H new ATOM 454 N PRO A 55 -1.076 -0.277 11.436 1.00 0.00 N ATOM 455 CA PRO A 55 -0.382 -0.604 10.194 1.00 0.00 C ATOM 456 C PRO A 55 -1.338 -1.029 9.082 1.00 0.00 C ATOM 457 O PRO A 55 -2.403 -1.596 9.343 1.00 0.00 O ATOM 458 CB PRO A 55 0.528 -1.760 10.592 1.00 0.00 C ATOM 459 CG PRO A 55 -0.173 -2.421 11.729 1.00 0.00 C ATOM 460 CD PRO A 55 -0.909 -1.327 12.460 1.00 0.00 C ATOM 0 HA PRO A 55 0.151 0.256 9.788 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.675 -2.451 9.762 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.514 -1.403 10.889 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.865 -3.183 11.370 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.538 -2.920 12.388 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.870 -1.674 12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.341 -0.965 13.317 1.00 0.00 H new ATOM 468 N THR A 56 -0.948 -0.758 7.846 1.00 0.00 N ATOM 469 CA THR A 56 -1.775 -1.072 6.695 1.00 0.00 C ATOM 470 C THR A 56 -1.047 -2.019 5.750 1.00 0.00 C ATOM 471 O THR A 56 -0.116 -1.617 5.053 1.00 0.00 O ATOM 472 CB THR A 56 -2.162 0.209 5.932 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.985 0.976 5.639 1.00 0.00 O ATOM 474 CG2 THR A 56 -3.129 1.051 6.746 1.00 0.00 C ATOM 0 H THR A 56 -0.057 -0.318 7.615 1.00 0.00 H new ATOM 0 HA THR A 56 -2.680 -1.556 7.062 1.00 0.00 H new ATOM 0 HB THR A 56 -2.651 -0.080 5.002 1.00 0.00 H new ATOM 0 HG1 THR A 56 -0.270 0.377 5.338 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.388 1.950 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.033 0.476 6.947 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.661 1.332 7.689 1.00 0.00 H new ATOM 482 N SER A 57 -1.461 -3.276 5.740 1.00 0.00 N ATOM 483 CA SER A 57 -0.838 -4.272 4.883 1.00 0.00 C ATOM 484 C SER A 57 -1.620 -4.438 3.582 1.00 0.00 C ATOM 485 O SER A 57 -1.076 -4.893 2.578 1.00 0.00 O ATOM 486 CB SER A 57 -0.714 -5.602 5.629 1.00 0.00 C ATOM 487 OG SER A 57 -1.933 -5.956 6.270 1.00 0.00 O ATOM 0 H SER A 57 -2.225 -3.631 6.315 1.00 0.00 H new ATOM 0 HA SER A 57 0.163 -3.931 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.428 -6.387 4.929 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.081 -5.531 6.371 1.00 0.00 H new ATOM 0 HG SER A 57 -1.821 -6.811 6.736 1.00 0.00 H new ATOM 493 N ASN A 58 -2.893 -4.070 3.596 1.00 0.00 N ATOM 494 CA ASN A 58 -3.691 -4.097 2.389 1.00 0.00 C ATOM 495 C ASN A 58 -4.709 -2.975 2.398 1.00 0.00 C ATOM 496 O ASN A 58 -4.686 -2.098 3.262 1.00 0.00 O ATOM 497 CB ASN A 58 -4.428 -5.424 2.237 1.00 0.00 C ATOM 498 CG ASN A 58 -5.401 -5.707 3.370 1.00 0.00 C ATOM 499 OD1 ASN A 58 -5.225 -5.266 4.505 1.00 0.00 O ATOM 500 ND2 ASN A 58 -6.441 -6.441 3.056 1.00 0.00 N ATOM 0 H ASN A 58 -3.389 -3.751 4.428 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.007 -3.972 1.550 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.972 -5.423 1.292 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.699 -6.232 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -7.140 -6.665 3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -6.551 -6.788 2.103 1.00 0.00 H new ATOM 507 N LEU A 59 -5.624 -3.042 1.453 1.00 0.00 N ATOM 508 CA LEU A 59 -6.654 -2.035 1.302 1.00 0.00 C ATOM 509 C LEU A 59 -7.649 -2.063 2.460 1.00 0.00 C ATOM 510 O LEU A 59 -8.137 -1.021 2.893 1.00 0.00 O ATOM 511 CB LEU A 59 -7.378 -2.247 -0.022 1.00 0.00 C ATOM 512 CG LEU A 59 -6.649 -1.720 -1.260 1.00 0.00 C ATOM 513 CD1 LEU A 59 -7.514 -1.902 -2.499 1.00 0.00 C ATOM 514 CD2 LEU A 59 -6.276 -0.254 -1.080 1.00 0.00 C ATOM 0 H LEU A 59 -5.675 -3.796 0.768 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.176 -1.055 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.556 -3.314 -0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -8.354 -1.766 0.036 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.730 -2.292 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.983 -1.523 -3.372 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.732 -2.961 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.447 -1.353 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.759 0.102 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.180 0.335 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.622 -0.149 -0.214 1.00 0.00 H new ATOM 526 N THR A 60 -7.936 -3.251 2.970 1.00 0.00 N ATOM 527 CA THR A 60 -8.910 -3.405 4.041 1.00 0.00 C ATOM 528 C THR A 60 -8.430 -2.737 5.329 1.00 0.00 C ATOM 529 O THR A 60 -9.186 -2.018 5.986 1.00 0.00 O ATOM 530 CB THR A 60 -9.192 -4.893 4.307 1.00 0.00 C ATOM 531 OG1 THR A 60 -9.384 -5.570 3.059 1.00 0.00 O ATOM 532 CG2 THR A 60 -10.426 -5.070 5.179 1.00 0.00 C ATOM 0 H THR A 60 -7.508 -4.123 2.660 1.00 0.00 H new ATOM 0 HA THR A 60 -9.830 -2.916 3.719 1.00 0.00 H new ATOM 0 HB THR A 60 -8.338 -5.318 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.562 -6.519 3.226 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.601 -6.132 5.350 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.271 -4.569 6.135 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.291 -4.636 4.678 1.00 0.00 H new ATOM 540 N THR A 61 -7.169 -2.966 5.687 1.00 0.00 N ATOM 541 CA THR A 61 -6.598 -2.349 6.876 1.00 0.00 C ATOM 542 C THR A 61 -6.499 -0.837 6.699 1.00 0.00 C ATOM 543 O THR A 61 -6.669 -0.073 7.648 1.00 0.00 O ATOM 544 CB THR A 61 -5.213 -2.944 7.206 1.00 0.00 C ATOM 545 OG1 THR A 61 -4.493 -3.221 5.996 1.00 0.00 O ATOM 546 CG2 THR A 61 -5.356 -4.221 8.020 1.00 0.00 C ATOM 0 H THR A 61 -6.528 -3.571 5.173 1.00 0.00 H new ATOM 0 HA THR A 61 -7.263 -2.561 7.714 1.00 0.00 H new ATOM 0 HB THR A 61 -4.660 -2.213 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.611 -4.163 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.368 -4.624 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.876 -4.002 8.953 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.927 -4.954 7.450 1.00 0.00 H new ATOM 554 N TYR A 62 -6.252 -0.425 5.460 1.00 0.00 N ATOM 555 CA TYR A 62 -6.237 0.983 5.092 1.00 0.00 C ATOM 556 C TYR A 62 -7.608 1.612 5.326 1.00 0.00 C ATOM 557 O TYR A 62 -7.718 2.688 5.918 1.00 0.00 O ATOM 558 CB TYR A 62 -5.828 1.117 3.618 1.00 0.00 C ATOM 559 CG TYR A 62 -5.964 2.508 3.042 1.00 0.00 C ATOM 560 CD1 TYR A 62 -5.039 3.501 3.333 1.00 0.00 C ATOM 561 CD2 TYR A 62 -7.013 2.817 2.185 1.00 0.00 C ATOM 562 CE1 TYR A 62 -5.160 4.765 2.790 1.00 0.00 C ATOM 563 CE2 TYR A 62 -7.143 4.076 1.642 1.00 0.00 C ATOM 564 CZ TYR A 62 -6.213 5.046 1.943 1.00 0.00 C ATOM 565 OH TYR A 62 -6.333 6.297 1.392 1.00 0.00 O ATOM 0 H TYR A 62 -6.057 -1.058 4.685 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.514 1.510 5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.792 0.796 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.435 0.433 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.213 3.282 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.740 2.056 1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -4.435 5.529 3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.969 4.301 0.984 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.128 6.327 0.819 1.00 0.00 H new ATOM 575 N SER A 63 -8.646 0.923 4.871 1.00 0.00 N ATOM 576 CA SER A 63 -10.015 1.403 5.011 1.00 0.00 C ATOM 577 C SER A 63 -10.404 1.497 6.488 1.00 0.00 C ATOM 578 O SER A 63 -10.973 2.497 6.936 1.00 0.00 O ATOM 579 CB SER A 63 -10.978 0.468 4.272 1.00 0.00 C ATOM 580 OG SER A 63 -12.216 1.108 4.011 1.00 0.00 O ATOM 0 H SER A 63 -8.565 0.023 4.398 1.00 0.00 H new ATOM 0 HA SER A 63 -10.079 2.399 4.572 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.527 0.146 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.148 -0.428 4.868 1.00 0.00 H new ATOM 0 HG SER A 63 -12.811 0.489 3.537 1.00 0.00 H new ATOM 586 N ALA A 64 -10.068 0.457 7.246 1.00 0.00 N ATOM 587 CA ALA A 64 -10.427 0.384 8.658 1.00 0.00 C ATOM 588 C ALA A 64 -9.708 1.450 9.478 1.00 0.00 C ATOM 589 O ALA A 64 -10.194 1.869 10.529 1.00 0.00 O ATOM 590 CB ALA A 64 -10.127 -1.002 9.206 1.00 0.00 C ATOM 0 H ALA A 64 -9.546 -0.349 6.904 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.497 0.574 8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.399 -1.043 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.703 -1.744 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.063 -1.214 9.098 1.00 0.00 H new ATOM 596 N ALA A 65 -8.549 1.875 9.007 1.00 0.00 N ATOM 597 CA ALA A 65 -7.814 2.939 9.669 1.00 0.00 C ATOM 598 C ALA A 65 -8.414 4.294 9.320 1.00 0.00 C ATOM 599 O ALA A 65 -8.613 5.143 10.190 1.00 0.00 O ATOM 600 CB ALA A 65 -6.344 2.892 9.282 1.00 0.00 C ATOM 0 H ALA A 65 -8.098 1.502 8.172 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.890 2.794 10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.809 3.696 9.787 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.920 1.932 9.578 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.248 3.014 8.203 1.00 0.00 H new ATOM 606 N LEU A 66 -8.728 4.467 8.041 1.00 0.00 N ATOM 607 CA LEU A 66 -9.243 5.729 7.519 1.00 0.00 C ATOM 608 C LEU A 66 -10.546 6.125 8.208 1.00 0.00 C ATOM 609 O LEU A 66 -10.738 7.286 8.565 1.00 0.00 O ATOM 610 CB LEU A 66 -9.477 5.605 6.010 1.00 0.00 C ATOM 611 CG LEU A 66 -9.066 6.817 5.166 1.00 0.00 C ATOM 612 CD1 LEU A 66 -9.306 6.536 3.693 1.00 0.00 C ATOM 613 CD2 LEU A 66 -9.825 8.067 5.592 1.00 0.00 C ATOM 0 H LEU A 66 -8.633 3.736 7.336 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.504 6.505 7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.932 4.733 5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.536 5.412 5.841 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.003 6.995 5.327 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.010 7.404 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.717 5.672 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.364 6.330 3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.513 8.910 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.895 7.903 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.611 8.284 6.639 1.00 0.00 H new ATOM 625 N LYS A 67 -11.424 5.151 8.418 1.00 0.00 N ATOM 626 CA LYS A 67 -12.756 5.419 8.962 1.00 0.00 C ATOM 627 C LYS A 67 -12.709 5.957 10.395 1.00 0.00 C ATOM 628 O LYS A 67 -13.736 6.348 10.948 1.00 0.00 O ATOM 629 CB LYS A 67 -13.626 4.159 8.903 1.00 0.00 C ATOM 630 CG LYS A 67 -13.137 3.027 9.792 1.00 0.00 C ATOM 631 CD LYS A 67 -14.008 1.784 9.657 1.00 0.00 C ATOM 632 CE LYS A 67 -15.418 1.998 10.192 1.00 0.00 C ATOM 633 NZ LYS A 67 -15.428 2.243 11.659 1.00 0.00 N ATOM 0 H LYS A 67 -11.240 4.167 8.221 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.199 6.195 8.338 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.644 4.419 9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.667 3.806 7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.108 2.779 9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.133 3.357 10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.061 1.494 8.608 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.541 0.957 10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.875 2.845 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.028 1.123 9.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.403 2.181 12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.840 1.529 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.047 3.191 11.855 1.00 0.00 H new ATOM 647 N THR A 68 -11.528 5.978 10.998 1.00 0.00 N ATOM 648 CA THR A 68 -11.397 6.469 12.362 1.00 0.00 C ATOM 649 C THR A 68 -10.733 7.849 12.398 1.00 0.00 C ATOM 650 O THR A 68 -10.795 8.548 13.410 1.00 0.00 O ATOM 651 CB THR A 68 -10.594 5.488 13.247 1.00 0.00 C ATOM 652 OG1 THR A 68 -9.234 5.404 12.804 1.00 0.00 O ATOM 653 CG2 THR A 68 -11.216 4.099 13.222 1.00 0.00 C ATOM 0 H THR A 68 -10.657 5.665 10.570 1.00 0.00 H new ATOM 0 HA THR A 68 -12.408 6.552 12.762 1.00 0.00 H new ATOM 0 HB THR A 68 -10.618 5.871 14.267 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.214 5.216 11.842 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.633 3.428 13.852 1.00 0.00 H new ATOM 0 HG22 THR A 68 -12.238 4.151 13.596 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.223 3.722 12.199 1.00 0.00 H new ATOM 661 N ILE A 69 -10.122 8.243 11.284 1.00 0.00 N ATOM 662 CA ILE A 69 -9.350 9.481 11.229 1.00 0.00 C ATOM 663 C ILE A 69 -10.265 10.706 11.259 1.00 0.00 C ATOM 664 O ILE A 69 -11.336 10.711 10.647 1.00 0.00 O ATOM 665 CB ILE A 69 -8.467 9.525 9.963 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.588 8.271 9.879 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.603 10.779 9.959 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.662 8.085 11.068 1.00 0.00 C ATOM 0 H ILE A 69 -10.147 7.723 10.407 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.709 9.502 12.110 1.00 0.00 H new ATOM 0 HB ILE A 69 -9.118 9.551 9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.230 7.395 9.791 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.989 8.320 8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.987 10.794 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.243 11.662 9.975 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.960 10.781 10.839 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.075 7.177 10.933 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.993 8.942 11.146 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.253 8.003 11.980 1.00 0.00 H new ATOM 680 N SER A 70 -9.850 11.736 11.992 1.00 0.00 N ATOM 681 CA SER A 70 -10.621 12.968 12.085 1.00 0.00 C ATOM 682 C SER A 70 -10.213 13.936 10.975 1.00 0.00 C ATOM 683 O SER A 70 -9.073 13.908 10.505 1.00 0.00 O ATOM 684 CB SER A 70 -10.395 13.619 13.450 1.00 0.00 C ATOM 685 OG SER A 70 -10.381 12.643 14.482 1.00 0.00 O ATOM 0 H SER A 70 -8.983 11.740 12.530 1.00 0.00 H new ATOM 0 HA SER A 70 -11.678 12.729 11.970 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.450 14.163 13.446 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.182 14.348 13.644 1.00 0.00 H new ATOM 0 HG SER A 70 -9.487 12.248 14.546 1.00 0.00 H new ATOM 691 N VAL A 71 -11.139 14.779 10.554 1.00 0.00 N ATOM 692 CA VAL A 71 -10.847 15.785 9.541 1.00 0.00 C ATOM 693 C VAL A 71 -10.008 16.904 10.143 1.00 0.00 C ATOM 694 O VAL A 71 -10.435 17.585 11.074 1.00 0.00 O ATOM 695 CB VAL A 71 -12.135 16.384 8.942 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.805 17.382 7.846 1.00 0.00 C ATOM 697 CG2 VAL A 71 -13.045 15.286 8.410 1.00 0.00 C ATOM 0 H VAL A 71 -12.100 14.789 10.896 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.295 15.292 8.741 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.664 16.911 9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.728 17.792 7.437 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.201 18.190 8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.249 16.881 7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.948 15.732 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.524 14.726 7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.316 14.612 9.223 1.00 0.00 H new ATOM 707 N GLY A 72 -8.808 17.081 9.620 1.00 0.00 N ATOM 708 CA GLY A 72 -7.924 18.105 10.134 1.00 0.00 C ATOM 709 C GLY A 72 -6.992 17.567 11.200 1.00 0.00 C ATOM 710 O GLY A 72 -6.286 18.330 11.860 1.00 0.00 O ATOM 0 H GLY A 72 -8.428 16.534 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.337 18.521 9.315 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.516 18.921 10.548 1.00 0.00 H new ATOM 714 N GLU A 73 -6.988 16.256 11.363 1.00 0.00 N ATOM 715 CA GLU A 73 -6.135 15.613 12.345 1.00 0.00 C ATOM 716 C GLU A 73 -4.761 15.342 11.747 1.00 0.00 C ATOM 717 O GLU A 73 -4.630 15.116 10.541 1.00 0.00 O ATOM 718 CB GLU A 73 -6.759 14.301 12.816 1.00 0.00 C ATOM 719 CG GLU A 73 -6.155 13.764 14.103 1.00 0.00 C ATOM 720 CD GLU A 73 -6.603 12.354 14.429 1.00 0.00 C ATOM 721 OE1 GLU A 73 -7.766 11.997 14.136 1.00 0.00 O ATOM 722 OE2 GLU A 73 -5.785 11.586 14.985 1.00 0.00 O ATOM 0 H GLU A 73 -7.569 15.614 10.825 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.029 16.280 13.200 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.829 14.450 12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.645 13.553 12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.068 13.784 14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.426 14.424 14.927 1.00 0.00 H new ATOM 729 N VAL A 74 -3.743 15.377 12.587 1.00 0.00 N ATOM 730 CA VAL A 74 -2.390 15.072 12.160 1.00 0.00 C ATOM 731 C VAL A 74 -2.113 13.591 12.375 1.00 0.00 C ATOM 732 O VAL A 74 -2.080 13.113 13.514 1.00 0.00 O ATOM 733 CB VAL A 74 -1.340 15.911 12.923 1.00 0.00 C ATOM 734 CG1 VAL A 74 0.063 15.601 12.428 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.639 17.398 12.789 1.00 0.00 C ATOM 0 H VAL A 74 -3.829 15.615 13.575 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.309 15.323 11.102 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.395 15.644 13.978 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.785 16.203 12.980 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.278 14.544 12.583 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.133 15.833 11.365 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.888 17.971 13.333 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.618 17.680 11.736 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.626 17.609 13.201 1.00 0.00 H new ATOM 745 N ILE A 75 -1.940 12.861 11.286 1.00 0.00 N ATOM 746 CA ILE A 75 -1.724 11.427 11.360 1.00 0.00 C ATOM 747 C ILE A 75 -0.289 11.068 11.011 1.00 0.00 C ATOM 748 O ILE A 75 0.398 11.799 10.297 1.00 0.00 O ATOM 749 CB ILE A 75 -2.682 10.651 10.431 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.597 11.190 9.000 1.00 0.00 C ATOM 751 CG2 ILE A 75 -4.107 10.738 10.961 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.427 10.409 8.003 1.00 0.00 C ATOM 0 H ILE A 75 -1.945 13.239 10.339 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.928 11.137 12.391 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.384 9.603 10.413 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.922 12.230 8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.555 11.180 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.776 10.188 10.299 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.150 10.306 11.961 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.417 11.782 11.003 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.316 10.850 7.012 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.088 9.373 7.979 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.476 10.441 8.299 1.00 0.00 H new ATOM 764 N ASN A 76 0.157 9.940 11.529 1.00 0.00 N ATOM 765 CA ASN A 76 1.495 9.447 11.258 1.00 0.00 C ATOM 766 C ASN A 76 1.462 8.445 10.121 1.00 0.00 C ATOM 767 O ASN A 76 0.690 7.495 10.159 1.00 0.00 O ATOM 768 CB ASN A 76 2.073 8.786 12.514 1.00 0.00 C ATOM 769 CG ASN A 76 3.370 8.040 12.247 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.451 8.617 12.297 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.267 6.744 11.985 1.00 0.00 N ATOM 0 H ASN A 76 -0.393 9.342 12.146 1.00 0.00 H new ATOM 0 HA ASN A 76 2.127 10.287 10.972 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.248 9.549 13.272 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.339 8.092 12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.106 6.190 11.816 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.348 6.302 11.952 1.00 0.00 H new ATOM 778 N ILE A 77 2.284 8.658 9.113 1.00 0.00 N ATOM 779 CA ILE A 77 2.386 7.719 8.015 1.00 0.00 C ATOM 780 C ILE A 77 3.834 7.293 7.833 1.00 0.00 C ATOM 781 O ILE A 77 4.678 8.069 7.374 1.00 0.00 O ATOM 782 CB ILE A 77 1.835 8.296 6.692 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.342 8.618 6.834 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.065 7.315 5.547 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.298 9.137 5.563 1.00 0.00 C ATOM 0 H ILE A 77 2.891 9.474 9.032 1.00 0.00 H new ATOM 0 HA ILE A 77 1.773 6.854 8.269 1.00 0.00 H new ATOM 0 HB ILE A 77 2.368 9.219 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.185 7.719 7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.214 9.359 7.623 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.671 7.736 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.133 7.130 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.555 6.376 5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.353 9.341 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.201 10.055 5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.203 8.389 4.776 1.00 0.00 H new ATOM 797 N THR A 78 4.117 6.071 8.237 1.00 0.00 N ATOM 798 CA THR A 78 5.444 5.510 8.096 1.00 0.00 C ATOM 799 C THR A 78 5.647 5.057 6.656 1.00 0.00 C ATOM 800 O THR A 78 5.121 4.025 6.245 1.00 0.00 O ATOM 801 CB THR A 78 5.635 4.308 9.044 1.00 0.00 C ATOM 802 OG1 THR A 78 5.068 4.598 10.335 1.00 0.00 O ATOM 803 CG2 THR A 78 7.109 3.971 9.200 1.00 0.00 C ATOM 0 H THR A 78 3.439 5.443 8.669 1.00 0.00 H new ATOM 0 HA THR A 78 6.176 6.275 8.355 1.00 0.00 H new ATOM 0 HB THR A 78 5.124 3.450 8.609 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.434 3.892 10.580 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.219 3.120 9.873 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.530 3.720 8.226 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.637 4.831 9.613 1.00 0.00 H new ATOM 811 N THR A 79 6.374 5.841 5.876 1.00 0.00 N ATOM 812 CA THR A 79 6.589 5.498 4.485 1.00 0.00 C ATOM 813 C THR A 79 7.897 4.741 4.314 1.00 0.00 C ATOM 814 O THR A 79 8.726 4.695 5.225 1.00 0.00 O ATOM 815 CB THR A 79 6.585 6.735 3.562 1.00 0.00 C ATOM 816 OG1 THR A 79 7.677 7.608 3.877 1.00 0.00 O ATOM 817 CG2 THR A 79 5.274 7.499 3.676 1.00 0.00 C ATOM 0 H THR A 79 6.819 6.707 6.180 1.00 0.00 H new ATOM 0 HA THR A 79 5.754 4.862 4.191 1.00 0.00 H new ATOM 0 HB THR A 79 6.696 6.380 2.538 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.700 7.768 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.299 8.365 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.448 6.848 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.135 7.831 4.705 1.00 0.00 H new ATOM 825 N ASP A 80 8.065 4.162 3.135 1.00 0.00 N ATOM 826 CA ASP A 80 9.253 3.391 2.788 1.00 0.00 C ATOM 827 C ASP A 80 10.539 4.179 3.048 1.00 0.00 C ATOM 828 O ASP A 80 11.559 3.610 3.434 1.00 0.00 O ATOM 829 CB ASP A 80 9.180 3.002 1.310 1.00 0.00 C ATOM 830 CG ASP A 80 10.343 2.139 0.865 1.00 0.00 C ATOM 831 OD1 ASP A 80 10.284 0.907 1.050 1.00 0.00 O ATOM 832 OD2 ASP A 80 11.311 2.690 0.300 1.00 0.00 O ATOM 0 H ASP A 80 7.376 4.213 2.385 1.00 0.00 H new ATOM 0 HA ASP A 80 9.278 2.501 3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.248 2.468 1.127 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.154 3.907 0.703 1.00 0.00 H new ATOM 837 N GLN A 81 10.479 5.491 2.863 1.00 0.00 N ATOM 838 CA GLN A 81 11.673 6.320 2.944 1.00 0.00 C ATOM 839 C GLN A 81 11.577 7.363 4.057 1.00 0.00 C ATOM 840 O GLN A 81 12.193 8.428 3.974 1.00 0.00 O ATOM 841 CB GLN A 81 11.914 6.999 1.598 1.00 0.00 C ATOM 842 CG GLN A 81 12.243 6.018 0.484 1.00 0.00 C ATOM 843 CD GLN A 81 12.420 6.695 -0.857 1.00 0.00 C ATOM 844 OE1 GLN A 81 12.165 6.103 -1.905 1.00 0.00 O ATOM 845 NE2 GLN A 81 12.834 7.947 -0.828 1.00 0.00 N ATOM 0 H GLN A 81 9.620 6.002 2.657 1.00 0.00 H new ATOM 0 HA GLN A 81 12.515 5.672 3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 81 11.027 7.569 1.322 1.00 0.00 H new ATOM 0 HB3 GLN A 81 12.732 7.712 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.156 5.479 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.446 5.278 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 81 13.034 8.398 0.065 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.955 8.465 -1.699 1.00 0.00 H new ATOM 854 N GLY A 82 10.814 7.060 5.097 1.00 0.00 N ATOM 855 CA GLY A 82 10.775 7.935 6.253 1.00 0.00 C ATOM 856 C GLY A 82 9.450 7.907 6.987 1.00 0.00 C ATOM 857 O GLY A 82 8.403 7.654 6.395 1.00 0.00 O ATOM 0 H GLY A 82 10.225 6.230 5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.569 7.649 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.983 8.956 5.933 1.00 0.00 H new ATOM 861 N THR A 83 9.502 8.165 8.284 1.00 0.00 N ATOM 862 CA THR A 83 8.303 8.249 9.098 1.00 0.00 C ATOM 863 C THR A 83 7.857 9.704 9.208 1.00 0.00 C ATOM 864 O THR A 83 8.495 10.504 9.894 1.00 0.00 O ATOM 865 CB THR A 83 8.558 7.681 10.509 1.00 0.00 C ATOM 866 OG1 THR A 83 9.137 6.371 10.419 1.00 0.00 O ATOM 867 CG2 THR A 83 7.269 7.607 11.309 1.00 0.00 C ATOM 0 H THR A 83 10.369 8.321 8.797 1.00 0.00 H new ATOM 0 HA THR A 83 7.521 7.659 8.621 1.00 0.00 H new ATOM 0 HB THR A 83 9.249 8.352 11.019 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.296 6.021 11.320 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.478 7.203 12.300 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.844 8.606 11.407 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.559 6.959 10.795 1.00 0.00 H new ATOM 875 N PHE A 84 6.782 10.052 8.518 1.00 0.00 N ATOM 876 CA PHE A 84 6.317 11.432 8.491 1.00 0.00 C ATOM 877 C PHE A 84 4.958 11.559 9.161 1.00 0.00 C ATOM 878 O PHE A 84 4.220 10.585 9.287 1.00 0.00 O ATOM 879 CB PHE A 84 6.214 11.946 7.052 1.00 0.00 C ATOM 880 CG PHE A 84 7.498 11.870 6.277 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.505 12.798 6.484 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.699 10.866 5.341 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.687 12.730 5.771 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.877 10.794 4.624 1.00 0.00 C ATOM 885 CZ PHE A 84 9.874 11.726 4.840 1.00 0.00 C ATOM 0 H PHE A 84 6.217 9.402 7.971 1.00 0.00 H new ATOM 0 HA PHE A 84 7.046 12.032 9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 84 5.451 11.371 6.527 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.875 12.982 7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.365 13.584 7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.925 10.132 5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 84 10.464 13.461 5.941 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.019 10.010 3.895 1.00 0.00 H new ATOM 0 HZ PHE A 84 10.797 11.670 4.283 1.00 0.00 H new ATOM 895 N HIS A 85 4.638 12.768 9.589 1.00 0.00 N ATOM 896 CA HIS A 85 3.322 13.074 10.114 1.00 0.00 C ATOM 897 C HIS A 85 2.716 14.222 9.326 1.00 0.00 C ATOM 898 O HIS A 85 3.358 15.255 9.115 1.00 0.00 O ATOM 899 CB HIS A 85 3.368 13.403 11.615 1.00 0.00 C ATOM 900 CG HIS A 85 4.335 14.487 12.006 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.597 14.227 12.489 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.206 15.836 12.010 1.00 0.00 C ATOM 903 CE1 HIS A 85 6.204 15.365 12.770 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.382 16.358 12.489 1.00 0.00 N ATOM 0 H HIS A 85 5.280 13.560 9.582 1.00 0.00 H new ATOM 0 HA HIS A 85 2.694 12.190 10.003 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.369 13.697 11.937 1.00 0.00 H new ATOM 0 HB3 HIS A 85 3.625 12.495 12.161 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.339 16.397 11.695 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.205 15.466 13.164 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.587 17.350 12.608 1.00 0.00 H new ATOM 913 N LEU A 86 1.500 14.026 8.865 1.00 0.00 N ATOM 914 CA LEU A 86 0.828 15.003 8.038 1.00 0.00 C ATOM 915 C LEU A 86 -0.606 15.219 8.503 1.00 0.00 C ATOM 916 O LEU A 86 -1.198 14.353 9.144 1.00 0.00 O ATOM 917 CB LEU A 86 0.846 14.564 6.576 1.00 0.00 C ATOM 918 CG LEU A 86 0.363 13.139 6.291 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.150 13.035 4.864 1.00 0.00 C ATOM 920 CD2 LEU A 86 1.491 12.142 6.509 1.00 0.00 C ATOM 0 H LEU A 86 0.951 13.187 9.052 1.00 0.00 H new ATOM 0 HA LEU A 86 1.363 15.948 8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.229 15.256 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.865 14.661 6.202 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.449 12.906 6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.491 12.017 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.980 13.728 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.652 13.285 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.131 11.134 6.302 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.318 12.376 5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.833 12.200 7.542 1.00 0.00 H new ATOM 932 N LYS A 87 -1.149 16.381 8.180 1.00 0.00 N ATOM 933 CA LYS A 87 -2.502 16.737 8.573 1.00 0.00 C ATOM 934 C LYS A 87 -3.485 16.442 7.446 1.00 0.00 C ATOM 935 O LYS A 87 -3.249 16.807 6.294 1.00 0.00 O ATOM 936 CB LYS A 87 -2.554 18.218 8.948 1.00 0.00 C ATOM 937 CG LYS A 87 -3.940 18.722 9.297 1.00 0.00 C ATOM 938 CD LYS A 87 -3.913 20.199 9.647 1.00 0.00 C ATOM 939 CE LYS A 87 -5.312 20.750 9.854 1.00 0.00 C ATOM 940 NZ LYS A 87 -6.119 20.710 8.606 1.00 0.00 N ATOM 0 H LYS A 87 -0.667 17.101 7.641 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.787 16.137 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.893 18.390 9.797 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.164 18.806 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.613 18.557 8.455 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.336 18.153 10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.325 20.348 10.553 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.417 20.753 8.850 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.817 20.175 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.247 21.778 10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.092 21.016 8.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.698 21.347 7.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.133 19.739 8.233 1.00 0.00 H new ATOM 954 N THR A 88 -4.579 15.773 7.781 1.00 0.00 N ATOM 955 CA THR A 88 -5.607 15.453 6.806 1.00 0.00 C ATOM 956 C THR A 88 -6.352 16.706 6.362 1.00 0.00 C ATOM 957 O THR A 88 -6.644 17.598 7.170 1.00 0.00 O ATOM 958 CB THR A 88 -6.612 14.429 7.370 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.143 14.891 8.622 1.00 0.00 O ATOM 960 CG2 THR A 88 -5.950 13.074 7.563 1.00 0.00 C ATOM 0 H THR A 88 -4.776 15.441 8.725 1.00 0.00 H new ATOM 0 HA THR A 88 -5.106 15.015 5.943 1.00 0.00 H new ATOM 0 HB THR A 88 -7.426 14.322 6.653 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.791 14.240 8.963 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.678 12.367 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.579 12.711 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.119 13.171 8.261 1.00 0.00 H new ATOM 968 N GLY A 89 -6.637 16.777 5.071 1.00 0.00 N ATOM 969 CA GLY A 89 -7.397 17.871 4.544 1.00 0.00 C ATOM 970 C GLY A 89 -8.873 17.668 4.773 1.00 0.00 C ATOM 971 O GLY A 89 -9.299 16.620 5.268 1.00 0.00 O ATOM 0 H GLY A 89 -6.348 16.085 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.077 18.800 5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.202 17.972 3.476 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.556 13.304 5.943 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.145 13.258 6.333 1.00 0.00 C ATOM 1103 C ALA A 98 -9.275 12.823 5.159 1.00 0.00 C ATOM 1104 O ALA A 98 -8.902 11.656 5.036 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.939 12.345 7.536 1.00 0.00 C ATOM 0 HA ALA A 98 -9.841 14.264 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.883 12.329 7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.522 12.717 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.265 11.335 7.286 1.00 0.00 H new ATOM 1111 N TYR A 99 -8.951 13.769 4.296 1.00 0.00 N ATOM 1112 CA TYR A 99 -8.287 13.438 3.050 1.00 0.00 C ATOM 1113 C TYR A 99 -6.787 13.618 3.186 1.00 0.00 C ATOM 1114 O TYR A 99 -6.296 14.734 3.344 1.00 0.00 O ATOM 1115 CB TYR A 99 -8.830 14.298 1.908 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.052 13.519 0.632 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.235 12.819 0.423 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.080 13.472 -0.359 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -10.443 12.099 -0.735 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -8.283 12.755 -1.522 1.00 0.00 C ATOM 1121 CZ TYR A 99 -9.466 12.069 -1.704 1.00 0.00 C ATOM 1122 OH TYR A 99 -9.668 11.348 -2.859 1.00 0.00 O ATOM 0 H TYR A 99 -9.135 14.763 4.433 1.00 0.00 H new ATOM 0 HA TYR A 99 -8.489 12.392 2.818 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -9.772 14.751 2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -8.133 15.113 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -11.004 12.839 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -7.151 14.004 -0.218 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -11.368 11.561 -0.881 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -7.519 12.732 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 99 -10.625 11.328 -3.069 1.00 0.00 H new ATOM 1132 N MET A 100 -6.067 12.508 3.129 1.00 0.00 N ATOM 1133 CA MET A 100 -4.616 12.521 3.255 1.00 0.00 C ATOM 1134 C MET A 100 -3.982 13.294 2.104 1.00 0.00 C ATOM 1135 O MET A 100 -2.941 13.914 2.269 1.00 0.00 O ATOM 1136 CB MET A 100 -4.054 11.093 3.318 1.00 0.00 C ATOM 1137 CG MET A 100 -4.311 10.252 2.071 1.00 0.00 C ATOM 1138 SD MET A 100 -6.059 9.916 1.781 1.00 0.00 S ATOM 1139 CE MET A 100 -6.471 8.978 3.252 1.00 0.00 C ATOM 0 H MET A 100 -6.467 11.579 2.995 1.00 0.00 H new ATOM 0 HA MET A 100 -4.366 13.025 4.189 1.00 0.00 H new ATOM 0 HB2 MET A 100 -2.979 11.147 3.488 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.487 10.584 4.179 1.00 0.00 H new ATOM 0 HG2 MET A 100 -3.899 10.767 1.203 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.777 9.306 2.163 1.00 0.00 H new ATOM 0 HE1 MET A 100 -7.034 8.088 2.970 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.555 8.681 3.763 1.00 0.00 H new ATOM 0 HE3 MET A 100 -7.075 9.593 3.919 1.00 0.00 H new ATOM 1149 N GLY A 101 -4.627 13.262 0.944 1.00 0.00 N ATOM 1150 CA GLY A 101 -4.150 14.038 -0.184 1.00 0.00 C ATOM 1151 C GLY A 101 -3.461 13.198 -1.241 1.00 0.00 C ATOM 1152 O GLY A 101 -2.983 13.722 -2.245 1.00 0.00 O ATOM 0 H GLY A 101 -5.469 12.715 0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.991 14.562 -0.638 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.457 14.799 0.174 1.00 0.00 H new ATOM 1156 N ILE A 102 -3.409 11.895 -1.024 1.00 0.00 N ATOM 1157 CA ILE A 102 -2.780 10.997 -1.978 1.00 0.00 C ATOM 1158 C ILE A 102 -3.697 9.828 -2.304 1.00 0.00 C ATOM 1159 O ILE A 102 -4.499 9.397 -1.470 1.00 0.00 O ATOM 1160 CB ILE A 102 -1.410 10.471 -1.465 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -1.539 9.724 -0.130 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -0.422 11.615 -1.320 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.779 8.232 -0.274 1.00 0.00 C ATOM 0 H ILE A 102 -3.793 11.436 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.598 11.572 -2.886 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.042 9.763 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -0.630 9.880 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.360 10.160 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 102 0.532 11.229 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -0.277 12.095 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.811 12.343 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.858 7.779 0.714 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.704 8.064 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -0.947 7.780 -0.814 1.00 0.00 H new ATOM 1175 N ARG A 103 -3.599 9.340 -3.528 1.00 0.00 N ATOM 1176 CA ARG A 103 -4.301 8.136 -3.921 1.00 0.00 C ATOM 1177 C ARG A 103 -3.503 6.941 -3.435 1.00 0.00 C ATOM 1178 O ARG A 103 -2.275 6.928 -3.525 1.00 0.00 O ATOM 1179 CB ARG A 103 -4.459 8.070 -5.438 1.00 0.00 C ATOM 1180 CG ARG A 103 -5.471 7.033 -5.914 1.00 0.00 C ATOM 1181 CD ARG A 103 -6.911 7.496 -5.715 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.267 7.651 -4.305 1.00 0.00 N ATOM 1183 CZ ARG A 103 -7.939 8.693 -3.817 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -8.339 9.674 -4.618 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -8.213 8.753 -2.520 1.00 0.00 N ATOM 0 H ARG A 103 -3.038 9.762 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.298 8.136 -3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.761 9.051 -5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.490 7.848 -5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.302 6.822 -6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.314 6.100 -5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.056 8.447 -6.228 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -7.586 6.777 -6.179 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.984 6.917 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.132 9.634 -5.616 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -8.853 10.468 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.909 8.003 -1.899 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.727 9.549 -2.144 1.00 0.00 H new ATOM 1199 N THR A 104 -4.184 5.953 -2.910 1.00 0.00 N ATOM 1200 CA THR A 104 -3.515 4.792 -2.368 1.00 0.00 C ATOM 1201 C THR A 104 -3.808 3.565 -3.220 1.00 0.00 C ATOM 1202 O THR A 104 -4.838 3.495 -3.892 1.00 0.00 O ATOM 1203 CB THR A 104 -3.959 4.541 -0.921 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.157 5.797 -0.262 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.916 3.738 -0.161 1.00 0.00 C ATOM 0 H THR A 104 -5.202 5.927 -2.845 1.00 0.00 H new ATOM 0 HA THR A 104 -2.442 4.981 -2.378 1.00 0.00 H new ATOM 0 HB THR A 104 -4.889 3.972 -0.940 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.926 5.732 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.257 3.575 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.768 2.776 -0.652 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.974 4.286 -0.147 1.00 0.00 H new ATOM 1213 N SER A 105 -2.894 2.618 -3.200 1.00 0.00 N ATOM 1214 CA SER A 105 -3.036 1.396 -3.963 1.00 0.00 C ATOM 1215 C SER A 105 -2.648 0.200 -3.106 1.00 0.00 C ATOM 1216 O SER A 105 -2.001 0.353 -2.073 1.00 0.00 O ATOM 1217 CB SER A 105 -2.173 1.457 -5.225 1.00 0.00 C ATOM 1218 OG SER A 105 -0.837 1.824 -4.917 1.00 0.00 O ATOM 0 H SER A 105 -2.033 2.673 -2.656 1.00 0.00 H new ATOM 0 HA SER A 105 -4.078 1.285 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.181 0.487 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.598 2.176 -5.925 1.00 0.00 H new ATOM 0 HG SER A 105 -0.807 2.233 -4.027 1.00 0.00 H new ATOM 1224 N ASN A 106 -3.035 -0.978 -3.549 1.00 0.00 N ATOM 1225 CA ASN A 106 -2.798 -2.206 -2.819 1.00 0.00 C ATOM 1226 C ASN A 106 -1.506 -2.842 -3.319 1.00 0.00 C ATOM 1227 O ASN A 106 -0.839 -3.587 -2.599 1.00 0.00 O ATOM 1228 CB ASN A 106 -3.987 -3.133 -3.049 1.00 0.00 C ATOM 1229 CG ASN A 106 -4.034 -4.305 -2.103 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.570 -4.235 -0.965 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -4.638 -5.381 -2.561 1.00 0.00 N ATOM 0 H ASN A 106 -3.527 -1.111 -4.433 1.00 0.00 H new ATOM 0 HA ASN A 106 -2.694 -2.014 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -4.908 -2.559 -2.948 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.953 -3.505 -4.073 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.737 -6.203 -1.965 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.007 -5.393 -3.512 1.00 0.00 H new