USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=22 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 28 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.14) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= -0.0607 USER MOD Set 2.1: A 76 ASN : amide:sc= -0.0682 K(o=-0.25,f=-2.3!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 31 SER OG : rot 92:sc= 1.24 USER MOD Single : A 36 SER OG : rot -119:sc= -0.0677 USER MOD Single : A 39 SER OG : rot 180:sc= 0 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 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -2.28! C(o=-2.3!,f=-8.7!) USER MOD Single : A 54 MET CE :methyl -139:sc= -1.01 (180deg=-3.01!) USER MOD Single : A 56 THR OG1 : rot 48:sc= 0.0986 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.015) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 16:sc= -0.355 USER MOD Single : A 62 TYR OH : rot 30:sc= 1.21 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -1:sc= 0.764 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -14:sc= 1.2 USER MOD Single : A 81 GLN : amide:sc= -1.53 K(o=-1.5,f=-5.5!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 161:sc= 1.59 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -174:sc= -1.75 (180deg=-1.83) USER MOD Single : A 104 THR OG1 : rot -167:sc= 0.128 USER MOD Single : A 106 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 25 -0.374 -7.378 1.936 1.00 0.00 N ATOM 33 CA ASP A 25 0.562 -7.374 3.067 1.00 0.00 C ATOM 34 C ASP A 25 1.447 -6.130 3.007 1.00 0.00 C ATOM 35 O ASP A 25 2.495 -6.045 3.646 1.00 0.00 O ATOM 36 CB ASP A 25 1.404 -8.656 3.125 1.00 0.00 C ATOM 37 CG ASP A 25 2.134 -8.800 4.446 1.00 0.00 C ATOM 38 OD1 ASP A 25 1.461 -8.810 5.502 1.00 0.00 O ATOM 39 OD2 ASP A 25 3.383 -8.898 4.442 1.00 0.00 O ATOM 0 HA ASP A 25 -0.022 -7.346 3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.758 -9.521 2.972 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.128 -8.651 2.310 1.00 0.00 H new ATOM 44 N GLY A 26 0.980 -5.149 2.253 1.00 0.00 N ATOM 45 CA GLY A 26 1.659 -3.881 2.158 1.00 0.00 C ATOM 46 C GLY A 26 1.033 -3.001 1.094 1.00 0.00 C ATOM 47 O GLY A 26 0.454 -3.508 0.132 1.00 0.00 O ATOM 0 H GLY A 26 0.127 -5.214 1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.622 -3.373 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.711 -4.046 1.925 1.00 0.00 H new ATOM 51 N VAL A 27 1.130 -1.688 1.266 1.00 0.00 N ATOM 52 CA VAL A 27 0.520 -0.750 0.329 1.00 0.00 C ATOM 53 C VAL A 27 1.464 0.408 0.025 1.00 0.00 C ATOM 54 O VAL A 27 2.331 0.744 0.829 1.00 0.00 O ATOM 55 CB VAL A 27 -0.820 -0.188 0.870 1.00 0.00 C ATOM 56 CG1 VAL A 27 -1.846 -1.299 1.038 1.00 0.00 C ATOM 57 CG2 VAL A 27 -0.603 0.554 2.181 1.00 0.00 C ATOM 0 H VAL A 27 1.624 -1.249 2.043 1.00 0.00 H new ATOM 0 HA VAL A 27 0.320 -1.305 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.210 0.521 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.777 -0.880 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.029 -1.774 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.468 -2.040 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.556 0.940 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.184 -0.129 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.087 1.383 2.020 1.00 0.00 H new ATOM 67 N GLN A 28 1.307 1.014 -1.140 1.00 0.00 N ATOM 68 CA GLN A 28 2.103 2.177 -1.489 1.00 0.00 C ATOM 69 C GLN A 28 1.196 3.331 -1.890 1.00 0.00 C ATOM 70 O GLN A 28 0.032 3.122 -2.216 1.00 0.00 O ATOM 71 CB GLN A 28 3.062 1.856 -2.635 1.00 0.00 C ATOM 72 CG GLN A 28 2.365 1.623 -3.968 1.00 0.00 C ATOM 73 CD GLN A 28 3.306 1.670 -5.162 1.00 0.00 C ATOM 74 OE1 GLN A 28 3.079 0.994 -6.165 1.00 0.00 O ATOM 75 NE2 GLN A 28 4.350 2.483 -5.083 1.00 0.00 N ATOM 0 H GLN A 28 0.641 0.722 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 28 2.688 2.463 -0.615 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.771 2.676 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.639 0.968 -2.376 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.869 0.653 -3.945 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.587 2.376 -4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.508 3.029 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.995 2.563 -5.869 1.00 0.00 H new ATOM 84 N ILE A 29 1.725 4.541 -1.867 1.00 0.00 N ATOM 85 CA ILE A 29 0.985 5.703 -2.335 1.00 0.00 C ATOM 86 C ILE A 29 0.949 5.688 -3.854 1.00 0.00 C ATOM 87 O ILE A 29 1.990 5.789 -4.502 1.00 0.00 O ATOM 88 CB ILE A 29 1.633 7.026 -1.867 1.00 0.00 C ATOM 89 CG1 ILE A 29 1.764 7.061 -0.341 1.00 0.00 C ATOM 90 CG2 ILE A 29 0.823 8.217 -2.362 1.00 0.00 C ATOM 91 CD1 ILE A 29 2.478 8.288 0.183 1.00 0.00 C ATOM 0 H ILE A 29 2.665 4.747 -1.529 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.021 5.650 -1.918 1.00 0.00 H new ATOM 0 HB ILE A 29 2.635 7.085 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.769 7.015 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.301 6.171 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.292 9.141 -2.024 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.787 8.205 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.190 8.158 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.532 8.241 1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.486 8.326 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.931 9.182 -0.115 1.00 0.00 H new ATOM 103 N ASP A 30 -0.233 5.551 -4.419 1.00 0.00 N ATOM 104 CA ASP A 30 -0.365 5.487 -5.865 1.00 0.00 C ATOM 105 C ASP A 30 -0.287 6.875 -6.462 1.00 0.00 C ATOM 106 O ASP A 30 0.648 7.199 -7.193 1.00 0.00 O ATOM 107 CB ASP A 30 -1.684 4.837 -6.270 1.00 0.00 C ATOM 108 CG ASP A 30 -1.784 4.639 -7.770 1.00 0.00 C ATOM 109 OD1 ASP A 30 -1.266 3.621 -8.275 1.00 0.00 O ATOM 110 OD2 ASP A 30 -2.354 5.517 -8.455 1.00 0.00 O ATOM 0 H ASP A 30 -1.112 5.482 -3.906 1.00 0.00 H new ATOM 0 HA ASP A 30 0.456 4.879 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.782 3.873 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.513 5.458 -5.930 1.00 0.00 H new ATOM 115 N SER A 31 -1.266 7.699 -6.132 1.00 0.00 N ATOM 116 CA SER A 31 -1.336 9.040 -6.675 1.00 0.00 C ATOM 117 C SER A 31 -1.901 10.002 -5.636 1.00 0.00 C ATOM 118 O SER A 31 -2.645 9.597 -4.744 1.00 0.00 O ATOM 119 CB SER A 31 -2.208 9.056 -7.936 1.00 0.00 C ATOM 120 OG SER A 31 -1.763 8.096 -8.885 1.00 0.00 O ATOM 0 H SER A 31 -2.022 7.461 -5.490 1.00 0.00 H new ATOM 0 HA SER A 31 -0.329 9.361 -6.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.244 8.851 -7.667 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.186 10.050 -8.383 1.00 0.00 H new ATOM 0 HG SER A 31 -2.237 7.250 -8.742 1.00 0.00 H new ATOM 126 N VAL A 32 -1.544 11.267 -5.759 1.00 0.00 N ATOM 127 CA VAL A 32 -1.980 12.289 -4.821 1.00 0.00 C ATOM 128 C VAL A 32 -2.841 13.328 -5.533 1.00 0.00 C ATOM 129 O VAL A 32 -2.468 13.828 -6.597 1.00 0.00 O ATOM 130 CB VAL A 32 -0.770 12.983 -4.158 1.00 0.00 C ATOM 131 CG1 VAL A 32 -1.221 14.083 -3.210 1.00 0.00 C ATOM 132 CG2 VAL A 32 0.085 11.969 -3.415 1.00 0.00 C ATOM 0 H VAL A 32 -0.946 11.616 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.570 11.803 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.171 13.437 -4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.348 14.554 -2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.790 14.830 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.848 13.655 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.933 12.476 -2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.513 11.486 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.449 11.217 -4.115 1.00 0.00 H new ATOM 142 N VAL A 33 -3.995 13.637 -4.954 1.00 0.00 N ATOM 143 CA VAL A 33 -4.921 14.588 -5.550 1.00 0.00 C ATOM 144 C VAL A 33 -4.875 15.926 -4.818 1.00 0.00 C ATOM 145 O VAL A 33 -5.049 15.980 -3.599 1.00 0.00 O ATOM 146 CB VAL A 33 -6.367 14.045 -5.534 1.00 0.00 C ATOM 147 CG1 VAL A 33 -7.331 15.035 -6.170 1.00 0.00 C ATOM 148 CG2 VAL A 33 -6.435 12.698 -6.238 1.00 0.00 C ATOM 0 H VAL A 33 -4.311 13.240 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.611 14.735 -6.585 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.667 13.909 -4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.341 14.626 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.305 15.974 -5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.038 15.215 -7.204 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -7.460 12.329 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.110 12.811 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.784 11.988 -5.729 1.00 0.00 H new ATOM 158 N PRO A 34 -4.622 17.020 -5.560 1.00 0.00 N ATOM 159 CA PRO A 34 -4.585 18.377 -5.000 1.00 0.00 C ATOM 160 C PRO A 34 -5.879 18.748 -4.278 1.00 0.00 C ATOM 161 O PRO A 34 -6.962 18.254 -4.609 1.00 0.00 O ATOM 162 CB PRO A 34 -4.380 19.270 -6.231 1.00 0.00 C ATOM 163 CG PRO A 34 -3.756 18.380 -7.246 1.00 0.00 C ATOM 164 CD PRO A 34 -4.335 17.014 -7.004 1.00 0.00 C ATOM 0 HA PRO A 34 -3.803 18.482 -4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.327 19.675 -6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.737 20.119 -6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.976 18.725 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.671 18.369 -7.142 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.237 16.849 -7.593 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.631 16.226 -7.271 1.00 0.00 H new ATOM 172 N GLY A 35 -5.760 19.620 -3.287 1.00 0.00 N ATOM 173 CA GLY A 35 -6.910 20.013 -2.501 1.00 0.00 C ATOM 174 C GLY A 35 -6.645 19.868 -1.021 1.00 0.00 C ATOM 175 O GLY A 35 -7.370 20.412 -0.187 1.00 0.00 O ATOM 0 H GLY A 35 -4.883 20.064 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.169 21.048 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.768 19.402 -2.780 1.00 0.00 H new ATOM 179 N SER A 36 -5.603 19.123 -0.696 1.00 0.00 N ATOM 180 CA SER A 36 -5.186 18.943 0.680 1.00 0.00 C ATOM 181 C SER A 36 -3.718 19.339 0.832 1.00 0.00 C ATOM 182 O SER A 36 -2.964 19.325 -0.144 1.00 0.00 O ATOM 183 CB SER A 36 -5.386 17.482 1.090 1.00 0.00 C ATOM 184 OG SER A 36 -4.748 16.614 0.172 1.00 0.00 O ATOM 0 H SER A 36 -5.026 18.629 -1.376 1.00 0.00 H new ATOM 0 HA SER A 36 -5.789 19.579 1.328 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.984 17.321 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.451 17.254 1.134 1.00 0.00 H new ATOM 0 HG SER A 36 -5.415 16.028 -0.242 1.00 0.00 H new ATOM 190 N PRO A 37 -3.285 19.705 2.052 1.00 0.00 N ATOM 191 CA PRO A 37 -1.879 20.038 2.320 1.00 0.00 C ATOM 192 C PRO A 37 -0.964 18.830 2.132 1.00 0.00 C ATOM 193 O PRO A 37 0.253 18.967 1.993 1.00 0.00 O ATOM 194 CB PRO A 37 -1.885 20.489 3.786 1.00 0.00 C ATOM 195 CG PRO A 37 -3.118 19.891 4.372 1.00 0.00 C ATOM 196 CD PRO A 37 -4.122 19.840 3.257 1.00 0.00 C ATOM 0 HA PRO A 37 -1.499 20.798 1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.993 20.143 4.308 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.899 21.576 3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.920 18.894 4.765 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.487 20.493 5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.805 18.998 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.732 20.743 3.224 1.00 0.00 H new ATOM 204 N ALA A 38 -1.575 17.648 2.094 1.00 0.00 N ATOM 205 CA ALA A 38 -0.850 16.394 1.940 1.00 0.00 C ATOM 206 C ALA A 38 -0.116 16.333 0.609 1.00 0.00 C ATOM 207 O ALA A 38 0.866 15.611 0.470 1.00 0.00 O ATOM 208 CB ALA A 38 -1.811 15.221 2.063 1.00 0.00 C ATOM 0 H ALA A 38 -2.586 17.535 2.169 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.105 16.337 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.262 14.287 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.287 15.242 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.573 15.292 1.287 1.00 0.00 H new ATOM 214 N SER A 39 -0.587 17.113 -0.356 1.00 0.00 N ATOM 215 CA SER A 39 -0.003 17.129 -1.691 1.00 0.00 C ATOM 216 C SER A 39 1.416 17.703 -1.669 1.00 0.00 C ATOM 217 O SER A 39 2.220 17.437 -2.563 1.00 0.00 O ATOM 218 CB SER A 39 -0.894 17.946 -2.638 1.00 0.00 C ATOM 219 OG SER A 39 -0.470 17.826 -3.986 1.00 0.00 O ATOM 0 H SER A 39 -1.377 17.747 -0.237 1.00 0.00 H new ATOM 0 HA SER A 39 0.059 16.102 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.926 17.608 -2.549 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.875 18.995 -2.342 1.00 0.00 H new ATOM 0 HG SER A 39 -1.059 18.356 -4.563 1.00 0.00 H new ATOM 225 N LYS A 40 1.726 18.483 -0.641 1.00 0.00 N ATOM 226 CA LYS A 40 3.037 19.104 -0.535 1.00 0.00 C ATOM 227 C LYS A 40 3.862 18.430 0.567 1.00 0.00 C ATOM 228 O LYS A 40 5.022 18.778 0.795 1.00 0.00 O ATOM 229 CB LYS A 40 2.877 20.602 -0.259 1.00 0.00 C ATOM 230 CG LYS A 40 4.144 21.407 -0.494 1.00 0.00 C ATOM 231 CD LYS A 40 3.889 22.899 -0.344 1.00 0.00 C ATOM 232 CE LYS A 40 5.135 23.710 -0.659 1.00 0.00 C ATOM 233 NZ LYS A 40 4.883 25.176 -0.581 1.00 0.00 N ATOM 0 H LYS A 40 1.090 18.699 0.127 1.00 0.00 H new ATOM 0 HA LYS A 40 3.570 18.977 -1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.084 20.996 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.556 20.740 0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.912 21.095 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.528 21.201 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.080 23.200 -1.009 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.562 23.113 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.928 23.441 0.039 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.490 23.456 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.759 25.691 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.144 25.438 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.570 25.424 0.379 1.00 0.00 H new ATOM 247 N VAL A 41 3.250 17.464 1.241 1.00 0.00 N ATOM 248 CA VAL A 41 3.921 16.727 2.306 1.00 0.00 C ATOM 249 C VAL A 41 4.301 15.330 1.829 1.00 0.00 C ATOM 250 O VAL A 41 5.440 14.892 1.992 1.00 0.00 O ATOM 251 CB VAL A 41 3.034 16.609 3.566 1.00 0.00 C ATOM 252 CG1 VAL A 41 3.720 15.778 4.640 1.00 0.00 C ATOM 253 CG2 VAL A 41 2.689 17.986 4.107 1.00 0.00 C ATOM 0 H VAL A 41 2.288 17.172 1.069 1.00 0.00 H new ATOM 0 HA VAL A 41 4.820 17.286 2.567 1.00 0.00 H new ATOM 0 HB VAL A 41 2.111 16.104 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.074 15.711 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.916 14.777 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.662 16.250 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.064 17.882 4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.606 18.514 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.149 18.551 3.347 1.00 0.00 H new ATOM 263 N LEU A 42 3.342 14.640 1.228 1.00 0.00 N ATOM 264 CA LEU A 42 3.569 13.291 0.741 1.00 0.00 C ATOM 265 C LEU A 42 3.961 13.326 -0.729 1.00 0.00 C ATOM 266 O LEU A 42 3.956 14.383 -1.360 1.00 0.00 O ATOM 267 CB LEU A 42 2.316 12.431 0.929 1.00 0.00 C ATOM 268 CG LEU A 42 1.857 12.248 2.375 1.00 0.00 C ATOM 269 CD1 LEU A 42 0.585 11.419 2.429 1.00 0.00 C ATOM 270 CD2 LEU A 42 2.951 11.597 3.202 1.00 0.00 C ATOM 0 H LEU A 42 2.399 14.994 1.067 1.00 0.00 H new ATOM 0 HA LEU A 42 4.382 12.848 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.500 12.878 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.503 11.448 0.498 1.00 0.00 H new ATOM 0 HG LEU A 42 1.646 13.231 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.273 11.299 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.202 11.924 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.771 10.439 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.607 11.474 4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.193 10.621 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.840 12.228 3.190 1.00 0.00 H new ATOM 282 N THR A 43 4.310 12.174 -1.273 1.00 0.00 N ATOM 283 CA THR A 43 4.709 12.080 -2.665 1.00 0.00 C ATOM 284 C THR A 43 4.207 10.773 -3.266 1.00 0.00 C ATOM 285 O THR A 43 4.357 9.710 -2.662 1.00 0.00 O ATOM 286 CB THR A 43 6.245 12.170 -2.798 1.00 0.00 C ATOM 287 OG1 THR A 43 6.713 13.366 -2.159 1.00 0.00 O ATOM 288 CG2 THR A 43 6.683 12.172 -4.260 1.00 0.00 C ATOM 0 H THR A 43 4.325 11.287 -0.769 1.00 0.00 H new ATOM 0 HA THR A 43 4.266 12.914 -3.209 1.00 0.00 H new ATOM 0 HB THR A 43 6.676 11.292 -2.316 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.688 13.422 -2.243 1.00 0.00 H new ATOM 0 HG21 THR A 43 7.770 12.236 -4.314 1.00 0.00 H new ATOM 0 HG22 THR A 43 6.350 11.252 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.243 13.029 -4.770 1.00 0.00 H new ATOM 296 N PRO A 44 3.565 10.837 -4.440 1.00 0.00 N ATOM 297 CA PRO A 44 3.075 9.646 -5.126 1.00 0.00 C ATOM 298 C PRO A 44 4.215 8.722 -5.539 1.00 0.00 C ATOM 299 O PRO A 44 5.290 9.178 -5.940 1.00 0.00 O ATOM 300 CB PRO A 44 2.345 10.197 -6.356 1.00 0.00 C ATOM 301 CG PRO A 44 2.882 11.574 -6.549 1.00 0.00 C ATOM 302 CD PRO A 44 3.257 12.072 -5.182 1.00 0.00 C ATOM 0 HA PRO A 44 2.431 9.042 -4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.529 9.577 -7.233 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.267 10.214 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 44 3.748 11.565 -7.211 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.136 12.222 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.116 12.742 -5.220 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.441 12.626 -4.718 1.00 0.00 H new ATOM 310 N GLY A 45 3.973 7.428 -5.439 1.00 0.00 N ATOM 311 CA GLY A 45 4.994 6.455 -5.774 1.00 0.00 C ATOM 312 C GLY A 45 5.808 5.990 -4.574 1.00 0.00 C ATOM 313 O GLY A 45 6.742 5.203 -4.732 1.00 0.00 O ATOM 0 H GLY A 45 3.086 7.030 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.521 5.590 -6.239 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.667 6.887 -6.514 1.00 0.00 H new ATOM 317 N LEU A 46 5.469 6.469 -3.379 1.00 0.00 N ATOM 318 CA LEU A 46 6.189 6.062 -2.168 1.00 0.00 C ATOM 319 C LEU A 46 5.565 4.806 -1.562 1.00 0.00 C ATOM 320 O LEU A 46 4.432 4.455 -1.886 1.00 0.00 O ATOM 321 CB LEU A 46 6.191 7.187 -1.128 1.00 0.00 C ATOM 322 CG LEU A 46 6.867 8.489 -1.566 1.00 0.00 C ATOM 323 CD1 LEU A 46 6.904 9.480 -0.413 1.00 0.00 C ATOM 324 CD2 LEU A 46 8.272 8.220 -2.076 1.00 0.00 C ATOM 0 H LEU A 46 4.710 7.132 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 46 7.218 5.845 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.159 7.408 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.688 6.825 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 46 6.284 8.921 -2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.388 10.401 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.887 9.700 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.464 9.051 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.734 9.159 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.866 7.765 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.226 7.543 -2.929 1.00 0.00 H new ATOM 336 N VAL A 47 6.296 4.145 -0.666 1.00 0.00 N ATOM 337 CA VAL A 47 5.827 2.904 -0.047 1.00 0.00 C ATOM 338 C VAL A 47 5.453 3.138 1.415 1.00 0.00 C ATOM 339 O VAL A 47 6.235 3.708 2.177 1.00 0.00 O ATOM 340 CB VAL A 47 6.898 1.793 -0.129 1.00 0.00 C ATOM 341 CG1 VAL A 47 6.376 0.488 0.460 1.00 0.00 C ATOM 342 CG2 VAL A 47 7.350 1.586 -1.569 1.00 0.00 C ATOM 0 H VAL A 47 7.218 4.448 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 47 4.945 2.580 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 47 7.758 2.111 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.149 -0.278 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.111 0.641 1.506 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.495 0.165 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.104 0.800 -1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.495 1.297 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.775 2.513 -1.954 1.00 0.00 H new ATOM 352 N ILE A 48 4.268 2.689 1.802 1.00 0.00 N ATOM 353 CA ILE A 48 3.758 2.922 3.149 1.00 0.00 C ATOM 354 C ILE A 48 3.988 1.704 4.035 1.00 0.00 C ATOM 355 O ILE A 48 3.627 0.585 3.677 1.00 0.00 O ATOM 356 CB ILE A 48 2.245 3.242 3.129 1.00 0.00 C ATOM 357 CG1 ILE A 48 1.954 4.387 2.158 1.00 0.00 C ATOM 358 CG2 ILE A 48 1.756 3.593 4.529 1.00 0.00 C ATOM 359 CD1 ILE A 48 0.480 4.693 2.003 1.00 0.00 C ATOM 0 H ILE A 48 3.638 2.159 1.201 1.00 0.00 H new ATOM 0 HA ILE A 48 4.301 3.777 3.552 1.00 0.00 H new ATOM 0 HB ILE A 48 1.709 2.356 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.468 5.284 2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.369 4.138 1.181 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.689 3.815 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.931 2.750 5.197 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.298 4.465 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.351 5.516 1.299 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.037 3.810 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.063 4.974 2.970 1.00 0.00 H new ATOM 371 N GLU A 49 4.588 1.933 5.193 1.00 0.00 N ATOM 372 CA GLU A 49 4.804 0.871 6.156 1.00 0.00 C ATOM 373 C GLU A 49 3.599 0.725 7.073 1.00 0.00 C ATOM 374 O GLU A 49 3.091 -0.379 7.270 1.00 0.00 O ATOM 375 CB GLU A 49 6.059 1.144 6.988 1.00 0.00 C ATOM 376 CG GLU A 49 7.346 1.074 6.189 1.00 0.00 C ATOM 377 CD GLU A 49 8.282 0.004 6.706 1.00 0.00 C ATOM 378 OE1 GLU A 49 7.832 -1.140 6.904 1.00 0.00 O ATOM 379 OE2 GLU A 49 9.480 0.297 6.897 1.00 0.00 O ATOM 0 H GLU A 49 4.933 2.847 5.486 1.00 0.00 H new ATOM 0 HA GLU A 49 4.942 -0.060 5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.976 2.132 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.108 0.422 7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.112 0.875 5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.847 2.041 6.225 1.00 0.00 H new ATOM 386 N SER A 50 3.122 1.843 7.616 1.00 0.00 N ATOM 387 CA SER A 50 2.045 1.797 8.592 1.00 0.00 C ATOM 388 C SER A 50 1.525 3.188 8.928 1.00 0.00 C ATOM 389 O SER A 50 2.191 4.196 8.670 1.00 0.00 O ATOM 390 CB SER A 50 2.538 1.108 9.868 1.00 0.00 C ATOM 391 OG SER A 50 3.773 1.658 10.295 1.00 0.00 O ATOM 0 H SER A 50 3.462 2.780 7.398 1.00 0.00 H new ATOM 0 HA SER A 50 1.222 1.231 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.794 1.219 10.657 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.654 0.039 9.687 1.00 0.00 H new ATOM 0 HG SER A 50 4.068 1.204 11.112 1.00 0.00 H new ATOM 397 N ILE A 51 0.327 3.219 9.494 1.00 0.00 N ATOM 398 CA ILE A 51 -0.264 4.443 10.008 1.00 0.00 C ATOM 399 C ILE A 51 -0.145 4.419 11.536 1.00 0.00 C ATOM 400 O ILE A 51 0.220 3.385 12.097 1.00 0.00 O ATOM 401 CB ILE A 51 -1.750 4.565 9.568 1.00 0.00 C ATOM 402 CG1 ILE A 51 -1.890 4.303 8.066 1.00 0.00 C ATOM 403 CG2 ILE A 51 -2.317 5.937 9.897 1.00 0.00 C ATOM 404 CD1 ILE A 51 -1.140 5.293 7.196 1.00 0.00 C ATOM 0 H ILE A 51 -0.262 2.394 9.609 1.00 0.00 H new ATOM 0 HA ILE A 51 0.261 5.310 9.607 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.315 3.815 10.121 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.530 3.297 7.848 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.947 4.328 7.800 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.357 5.987 9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.261 6.106 10.972 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.740 6.703 9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.289 5.040 6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.515 6.299 7.384 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.077 5.252 7.432 1.00 0.00 H new ATOM 416 N ASN A 52 -0.428 5.535 12.199 1.00 0.00 N ATOM 417 CA ASN A 52 -0.267 5.651 13.643 1.00 0.00 C ATOM 418 C ASN A 52 -1.011 4.547 14.400 1.00 0.00 C ATOM 419 O ASN A 52 -2.230 4.590 14.580 1.00 0.00 O ATOM 420 CB ASN A 52 -0.703 7.043 14.131 1.00 0.00 C ATOM 421 CG ASN A 52 -2.157 7.381 13.848 1.00 0.00 C ATOM 422 OD1 ASN A 52 -2.726 6.965 12.842 1.00 0.00 O ATOM 423 ND2 ASN A 52 -2.759 8.156 14.733 1.00 0.00 N ATOM 0 H ASN A 52 -0.775 6.383 11.751 1.00 0.00 H new ATOM 0 HA ASN A 52 0.794 5.525 13.859 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.530 7.109 15.205 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.070 7.795 13.660 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.732 8.430 14.593 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.251 8.480 15.556 1.00 0.00 H new ATOM 430 N GLY A 53 -0.259 3.532 14.809 1.00 0.00 N ATOM 431 CA GLY A 53 -0.822 2.434 15.565 1.00 0.00 C ATOM 432 C GLY A 53 -1.622 1.481 14.703 1.00 0.00 C ATOM 433 O GLY A 53 -2.219 0.532 15.204 1.00 0.00 O ATOM 0 H GLY A 53 0.741 3.452 14.627 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.018 1.886 16.055 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.463 2.831 16.352 1.00 0.00 H new ATOM 437 N MET A 54 -1.633 1.728 13.401 1.00 0.00 N ATOM 438 CA MET A 54 -2.424 0.932 12.476 1.00 0.00 C ATOM 439 C MET A 54 -1.623 0.624 11.217 1.00 0.00 C ATOM 440 O MET A 54 -1.606 1.415 10.274 1.00 0.00 O ATOM 441 CB MET A 54 -3.712 1.674 12.109 1.00 0.00 C ATOM 442 CG MET A 54 -4.643 1.893 13.290 1.00 0.00 C ATOM 443 SD MET A 54 -6.030 2.982 12.908 1.00 0.00 S ATOM 444 CE MET A 54 -5.161 4.506 12.541 1.00 0.00 C ATOM 0 H MET A 54 -1.100 2.478 12.960 1.00 0.00 H new ATOM 0 HA MET A 54 -2.683 -0.008 12.963 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.454 2.640 11.676 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.240 1.110 11.340 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.027 0.930 13.625 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.075 2.316 14.119 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.700 5.347 12.978 1.00 0.00 H new ATOM 0 HE2 MET A 54 -4.156 4.462 12.960 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.098 4.638 11.461 1.00 0.00 H new ATOM 454 N PRO A 55 -0.921 -0.515 11.192 1.00 0.00 N ATOM 455 CA PRO A 55 -0.142 -0.926 10.028 1.00 0.00 C ATOM 456 C PRO A 55 -1.038 -1.252 8.840 1.00 0.00 C ATOM 457 O PRO A 55 -2.054 -1.936 8.984 1.00 0.00 O ATOM 458 CB PRO A 55 0.605 -2.179 10.493 1.00 0.00 C ATOM 459 CG PRO A 55 0.455 -2.209 11.978 1.00 0.00 C ATOM 460 CD PRO A 55 -0.824 -1.489 12.287 1.00 0.00 C ATOM 0 HA PRO A 55 0.526 -0.134 9.689 1.00 0.00 H new ATOM 0 HB2 PRO A 55 0.185 -3.077 10.039 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.656 -2.138 10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.422 -3.235 12.345 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.301 -1.724 12.464 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.677 -2.168 12.302 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.788 -1.001 13.261 1.00 0.00 H new ATOM 468 N THR A 56 -0.658 -0.767 7.673 1.00 0.00 N ATOM 469 CA THR A 56 -1.474 -0.923 6.484 1.00 0.00 C ATOM 470 C THR A 56 -0.903 -1.972 5.543 1.00 0.00 C ATOM 471 O THR A 56 0.033 -1.711 4.787 1.00 0.00 O ATOM 472 CB THR A 56 -1.620 0.411 5.742 1.00 0.00 C ATOM 473 OG1 THR A 56 -0.346 1.069 5.666 1.00 0.00 O ATOM 474 CG2 THR A 56 -2.626 1.303 6.450 1.00 0.00 C ATOM 0 H THR A 56 0.214 -0.260 7.523 1.00 0.00 H new ATOM 0 HA THR A 56 -2.457 -1.258 6.814 1.00 0.00 H new ATOM 0 HB THR A 56 -1.981 0.214 4.732 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.333 0.432 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.719 2.246 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.595 0.806 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.287 1.498 7.467 1.00 0.00 H new ATOM 482 N SER A 57 -1.451 -3.166 5.625 1.00 0.00 N ATOM 483 CA SER A 57 -1.072 -4.251 4.741 1.00 0.00 C ATOM 484 C SER A 57 -2.122 -4.415 3.645 1.00 0.00 C ATOM 485 O SER A 57 -1.879 -5.046 2.615 1.00 0.00 O ATOM 486 CB SER A 57 -0.950 -5.543 5.549 1.00 0.00 C ATOM 487 OG SER A 57 -0.258 -5.312 6.764 1.00 0.00 O ATOM 0 H SER A 57 -2.171 -3.413 6.305 1.00 0.00 H new ATOM 0 HA SER A 57 -0.112 -4.025 4.277 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.943 -5.940 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.423 -6.296 4.963 1.00 0.00 H new ATOM 0 HG SER A 57 -0.192 -6.150 7.267 1.00 0.00 H new ATOM 493 N ASN A 58 -3.297 -3.843 3.873 1.00 0.00 N ATOM 494 CA ASN A 58 -4.395 -3.965 2.924 1.00 0.00 C ATOM 495 C ASN A 58 -4.933 -2.593 2.569 1.00 0.00 C ATOM 496 O ASN A 58 -4.706 -1.618 3.286 1.00 0.00 O ATOM 497 CB ASN A 58 -5.526 -4.829 3.499 1.00 0.00 C ATOM 498 CG ASN A 58 -5.128 -6.279 3.727 1.00 0.00 C ATOM 499 OD1 ASN A 58 -5.625 -6.929 4.644 1.00 0.00 O ATOM 500 ND2 ASN A 58 -4.229 -6.792 2.899 1.00 0.00 N ATOM 0 H ASN A 58 -3.514 -3.292 4.704 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.012 -4.448 2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -5.856 -4.399 4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.378 -4.797 2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.926 -7.760 3.011 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.840 -6.219 2.150 1.00 0.00 H new ATOM 507 N LEU A 59 -5.641 -2.517 1.457 1.00 0.00 N ATOM 508 CA LEU A 59 -6.253 -1.288 1.029 1.00 0.00 C ATOM 509 C LEU A 59 -7.521 -1.026 1.836 1.00 0.00 C ATOM 510 O LEU A 59 -7.865 0.120 2.122 1.00 0.00 O ATOM 511 CB LEU A 59 -6.541 -1.389 -0.466 1.00 0.00 C ATOM 512 CG LEU A 59 -5.289 -1.445 -1.345 1.00 0.00 C ATOM 513 CD1 LEU A 59 -5.653 -1.684 -2.796 1.00 0.00 C ATOM 514 CD2 LEU A 59 -4.495 -0.158 -1.210 1.00 0.00 C ATOM 0 H LEU A 59 -5.803 -3.307 0.832 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.584 -0.445 1.201 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.140 -2.281 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.144 -0.532 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.674 -2.279 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.745 -1.719 -3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.185 -2.631 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.291 -0.874 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.607 -0.210 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.112 0.685 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.195 -0.023 -0.171 1.00 0.00 H new ATOM 526 N THR A 60 -8.188 -2.105 2.229 1.00 0.00 N ATOM 527 CA THR A 60 -9.375 -2.023 3.070 1.00 0.00 C ATOM 528 C THR A 60 -9.010 -1.594 4.487 1.00 0.00 C ATOM 529 O THR A 60 -9.738 -0.833 5.110 1.00 0.00 O ATOM 530 CB THR A 60 -10.105 -3.380 3.117 1.00 0.00 C ATOM 531 OG1 THR A 60 -10.470 -3.771 1.789 1.00 0.00 O ATOM 532 CG2 THR A 60 -11.352 -3.316 3.990 1.00 0.00 C ATOM 0 H THR A 60 -7.923 -3.057 1.975 1.00 0.00 H new ATOM 0 HA THR A 60 -10.037 -1.275 2.633 1.00 0.00 H new ATOM 0 HB THR A 60 -9.427 -4.114 3.552 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.933 -4.634 1.818 1.00 0.00 H new ATOM 0 HG21 THR A 60 -11.840 -4.291 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 60 -11.071 -3.042 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 60 -12.039 -2.570 3.590 1.00 0.00 H new ATOM 540 N THR A 61 -7.876 -2.065 4.994 1.00 0.00 N ATOM 541 CA THR A 61 -7.439 -1.679 6.329 1.00 0.00 C ATOM 542 C THR A 61 -7.021 -0.211 6.347 1.00 0.00 C ATOM 543 O THR A 61 -7.223 0.490 7.336 1.00 0.00 O ATOM 544 CB THR A 61 -6.291 -2.573 6.835 1.00 0.00 C ATOM 545 OG1 THR A 61 -5.291 -2.731 5.830 1.00 0.00 O ATOM 546 CG2 THR A 61 -6.807 -3.941 7.250 1.00 0.00 C ATOM 0 H THR A 61 -7.250 -2.707 4.507 1.00 0.00 H new ATOM 0 HA THR A 61 -8.283 -1.816 7.005 1.00 0.00 H new ATOM 0 HB THR A 61 -5.853 -2.081 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.415 -2.051 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.976 -4.552 7.603 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.539 -3.827 8.050 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.277 -4.427 6.395 1.00 0.00 H new ATOM 554 N TYR A 62 -6.466 0.247 5.231 1.00 0.00 N ATOM 555 CA TYR A 62 -6.144 1.658 5.046 1.00 0.00 C ATOM 556 C TYR A 62 -7.427 2.486 5.118 1.00 0.00 C ATOM 557 O TYR A 62 -7.493 3.511 5.798 1.00 0.00 O ATOM 558 CB TYR A 62 -5.462 1.846 3.685 1.00 0.00 C ATOM 559 CG TYR A 62 -4.725 3.157 3.510 1.00 0.00 C ATOM 560 CD1 TYR A 62 -5.385 4.311 3.105 1.00 0.00 C ATOM 561 CD2 TYR A 62 -3.355 3.228 3.725 1.00 0.00 C ATOM 562 CE1 TYR A 62 -4.698 5.496 2.919 1.00 0.00 C ATOM 563 CE2 TYR A 62 -2.665 4.409 3.548 1.00 0.00 C ATOM 564 CZ TYR A 62 -3.338 5.537 3.144 1.00 0.00 C ATOM 565 OH TYR A 62 -2.644 6.706 2.950 1.00 0.00 O ATOM 0 H TYR A 62 -6.228 -0.344 4.434 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.466 1.992 5.832 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -4.757 1.028 3.533 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.217 1.765 2.903 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -6.451 4.282 2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -2.820 2.343 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.223 6.384 2.600 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.600 4.447 3.726 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.231 7.469 3.132 1.00 0.00 H new ATOM 575 N SER A 63 -8.445 2.007 4.419 1.00 0.00 N ATOM 576 CA SER A 63 -9.755 2.625 4.401 1.00 0.00 C ATOM 577 C SER A 63 -10.439 2.567 5.770 1.00 0.00 C ATOM 578 O SER A 63 -11.039 3.545 6.220 1.00 0.00 O ATOM 579 CB SER A 63 -10.590 1.915 3.349 1.00 0.00 C ATOM 580 OG SER A 63 -10.278 2.375 2.044 1.00 0.00 O ATOM 0 H SER A 63 -8.380 1.168 3.843 1.00 0.00 H new ATOM 0 HA SER A 63 -9.651 3.682 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.417 0.841 3.409 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.649 2.079 3.551 1.00 0.00 H new ATOM 0 HG SER A 63 -10.830 1.899 1.389 1.00 0.00 H new ATOM 586 N ALA A 64 -10.339 1.422 6.429 1.00 0.00 N ATOM 587 CA ALA A 64 -10.946 1.226 7.740 1.00 0.00 C ATOM 588 C ALA A 64 -10.338 2.167 8.768 1.00 0.00 C ATOM 589 O ALA A 64 -11.026 2.632 9.681 1.00 0.00 O ATOM 590 CB ALA A 64 -10.790 -0.219 8.186 1.00 0.00 C ATOM 0 H ALA A 64 -9.839 0.607 6.074 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.009 1.454 7.659 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.248 -0.349 9.166 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.279 -0.876 7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.731 -0.469 8.245 1.00 0.00 H new ATOM 596 N ALA A 65 -9.052 2.451 8.609 1.00 0.00 N ATOM 597 CA ALA A 65 -8.361 3.379 9.489 1.00 0.00 C ATOM 598 C ALA A 65 -8.864 4.793 9.244 1.00 0.00 C ATOM 599 O ALA A 65 -9.182 5.525 10.185 1.00 0.00 O ATOM 600 CB ALA A 65 -6.856 3.298 9.271 1.00 0.00 C ATOM 0 H ALA A 65 -8.467 2.050 7.876 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.568 3.108 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.354 3.999 9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.512 2.286 9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.624 3.551 8.237 1.00 0.00 H new ATOM 606 N LEU A 66 -8.971 5.146 7.968 1.00 0.00 N ATOM 607 CA LEU A 66 -9.448 6.444 7.543 1.00 0.00 C ATOM 608 C LEU A 66 -10.822 6.760 8.130 1.00 0.00 C ATOM 609 O LEU A 66 -11.096 7.892 8.519 1.00 0.00 O ATOM 610 CB LEU A 66 -9.507 6.459 6.022 1.00 0.00 C ATOM 611 CG LEU A 66 -8.204 6.845 5.314 1.00 0.00 C ATOM 612 CD1 LEU A 66 -8.387 6.802 3.806 1.00 0.00 C ATOM 613 CD2 LEU A 66 -7.745 8.230 5.752 1.00 0.00 C ATOM 0 H LEU A 66 -8.724 4.527 7.196 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.762 7.210 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.807 5.469 5.678 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.287 7.154 5.713 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.436 6.123 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.452 7.079 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.670 5.794 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.170 7.502 3.514 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.818 8.486 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.512 8.963 5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.576 8.234 6.829 1.00 0.00 H new ATOM 625 N LYS A 67 -11.670 5.742 8.197 1.00 0.00 N ATOM 626 CA LYS A 67 -13.024 5.879 8.740 1.00 0.00 C ATOM 627 C LYS A 67 -13.028 6.406 10.176 1.00 0.00 C ATOM 628 O LYS A 67 -13.985 7.056 10.595 1.00 0.00 O ATOM 629 CB LYS A 67 -13.753 4.534 8.684 1.00 0.00 C ATOM 630 CG LYS A 67 -14.216 4.142 7.288 1.00 0.00 C ATOM 631 CD LYS A 67 -15.429 4.956 6.855 1.00 0.00 C ATOM 632 CE LYS A 67 -16.667 4.576 7.655 1.00 0.00 C ATOM 633 NZ LYS A 67 -17.849 5.403 7.291 1.00 0.00 N ATOM 0 H LYS A 67 -11.444 4.800 7.879 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.543 6.610 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.092 3.757 9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.618 4.573 9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.403 4.292 6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.463 3.081 7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.222 6.018 6.985 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.617 4.796 5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.897 3.524 7.487 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.459 4.691 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.668 5.108 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.641 6.405 7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.065 5.274 6.282 1.00 0.00 H new ATOM 647 N THR A 68 -11.969 6.131 10.926 1.00 0.00 N ATOM 648 CA THR A 68 -11.906 6.545 12.321 1.00 0.00 C ATOM 649 C THR A 68 -11.078 7.813 12.514 1.00 0.00 C ATOM 650 O THR A 68 -11.130 8.432 13.576 1.00 0.00 O ATOM 651 CB THR A 68 -11.336 5.433 13.221 1.00 0.00 C ATOM 652 OG1 THR A 68 -10.098 4.932 12.690 1.00 0.00 O ATOM 653 CG2 THR A 68 -12.327 4.293 13.366 1.00 0.00 C ATOM 0 H THR A 68 -11.147 5.626 10.594 1.00 0.00 H new ATOM 0 HA THR A 68 -12.935 6.753 12.613 1.00 0.00 H new ATOM 0 HB THR A 68 -11.151 5.866 14.204 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.893 5.392 11.849 1.00 0.00 H new ATOM 0 HG21 THR A 68 -11.901 3.520 14.006 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.249 4.667 13.812 1.00 0.00 H new ATOM 0 HG23 THR A 68 -12.544 3.872 12.384 1.00 0.00 H new ATOM 661 N ILE A 69 -10.312 8.196 11.500 1.00 0.00 N ATOM 662 CA ILE A 69 -9.431 9.353 11.616 1.00 0.00 C ATOM 663 C ILE A 69 -10.243 10.645 11.658 1.00 0.00 C ATOM 664 O ILE A 69 -11.102 10.886 10.809 1.00 0.00 O ATOM 665 CB ILE A 69 -8.403 9.419 10.461 1.00 0.00 C ATOM 666 CG1 ILE A 69 -7.581 8.128 10.394 1.00 0.00 C ATOM 667 CG2 ILE A 69 -7.478 10.618 10.633 1.00 0.00 C ATOM 668 CD1 ILE A 69 -6.798 7.830 11.655 1.00 0.00 C ATOM 0 H ILE A 69 -10.282 7.727 10.595 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.880 9.241 12.550 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.952 9.532 9.526 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -8.251 7.293 10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.888 8.194 9.555 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.763 10.647 9.811 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -8.067 11.535 10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.942 10.531 11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.243 6.901 11.528 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.101 8.645 11.852 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.485 7.730 12.495 1.00 0.00 H new ATOM 680 N SER A 70 -9.968 11.469 12.655 1.00 0.00 N ATOM 681 CA SER A 70 -10.711 12.702 12.856 1.00 0.00 C ATOM 682 C SER A 70 -10.212 13.810 11.930 1.00 0.00 C ATOM 683 O SER A 70 -9.124 13.721 11.357 1.00 0.00 O ATOM 684 CB SER A 70 -10.583 13.144 14.313 1.00 0.00 C ATOM 685 OG SER A 70 -10.933 12.088 15.194 1.00 0.00 O ATOM 0 H SER A 70 -9.232 11.305 13.341 1.00 0.00 H new ATOM 0 HA SER A 70 -11.758 12.513 12.618 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.560 13.465 14.512 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.228 14.004 14.495 1.00 0.00 H new ATOM 0 HG SER A 70 -10.842 12.392 16.121 1.00 0.00 H new ATOM 691 N VAL A 71 -11.020 14.851 11.784 1.00 0.00 N ATOM 692 CA VAL A 71 -10.642 16.020 11.008 1.00 0.00 C ATOM 693 C VAL A 71 -9.838 16.971 11.883 1.00 0.00 C ATOM 694 O VAL A 71 -10.272 17.327 12.975 1.00 0.00 O ATOM 695 CB VAL A 71 -11.879 16.755 10.455 1.00 0.00 C ATOM 696 CG1 VAL A 71 -11.465 17.965 9.634 1.00 0.00 C ATOM 697 CG2 VAL A 71 -12.736 15.813 9.621 1.00 0.00 C ATOM 0 H VAL A 71 -11.950 14.908 12.198 1.00 0.00 H new ATOM 0 HA VAL A 71 -10.040 15.685 10.163 1.00 0.00 H new ATOM 0 HB VAL A 71 -12.473 17.102 11.301 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.354 18.468 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.898 18.654 10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.845 17.642 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -13.604 16.352 9.240 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -12.150 15.432 8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.069 14.980 10.240 1.00 0.00 H new ATOM 707 N GLY A 72 -8.668 17.373 11.412 1.00 0.00 N ATOM 708 CA GLY A 72 -7.782 18.167 12.238 1.00 0.00 C ATOM 709 C GLY A 72 -6.883 17.276 13.060 1.00 0.00 C ATOM 710 O GLY A 72 -6.260 17.708 14.033 1.00 0.00 O ATOM 0 H GLY A 72 -8.317 17.165 10.477 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.178 18.821 11.609 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.367 18.809 12.896 1.00 0.00 H new ATOM 714 N GLU A 73 -6.836 16.016 12.666 1.00 0.00 N ATOM 715 CA GLU A 73 -6.008 15.029 13.323 1.00 0.00 C ATOM 716 C GLU A 73 -4.624 15.049 12.711 1.00 0.00 C ATOM 717 O GLU A 73 -4.466 15.334 11.524 1.00 0.00 O ATOM 718 CB GLU A 73 -6.614 13.642 13.147 1.00 0.00 C ATOM 719 CG GLU A 73 -5.960 12.558 13.988 1.00 0.00 C ATOM 720 CD GLU A 73 -6.310 12.658 15.456 1.00 0.00 C ATOM 721 OE1 GLU A 73 -5.590 13.358 16.197 1.00 0.00 O ATOM 722 OE2 GLU A 73 -7.296 12.020 15.884 1.00 0.00 O ATOM 0 H GLU A 73 -7.373 15.651 11.880 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.947 15.263 14.386 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.674 13.688 13.397 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.546 13.360 12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -6.265 11.581 13.613 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.878 12.620 13.873 1.00 0.00 H new ATOM 729 N VAL A 74 -3.631 14.754 13.518 1.00 0.00 N ATOM 730 CA VAL A 74 -2.277 14.629 13.026 1.00 0.00 C ATOM 731 C VAL A 74 -1.835 13.184 13.166 1.00 0.00 C ATOM 732 O VAL A 74 -1.513 12.722 14.261 1.00 0.00 O ATOM 733 CB VAL A 74 -1.289 15.563 13.763 1.00 0.00 C ATOM 734 CG1 VAL A 74 0.117 15.416 13.202 1.00 0.00 C ATOM 735 CG2 VAL A 74 -1.749 17.009 13.671 1.00 0.00 C ATOM 0 H VAL A 74 -3.735 14.596 14.520 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.270 14.931 11.979 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.269 15.272 14.813 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.794 16.083 13.736 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.452 14.386 13.324 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.115 15.674 12.143 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.041 17.650 14.196 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.803 17.308 12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.734 17.107 14.127 1.00 0.00 H new ATOM 745 N ILE A 75 -1.854 12.472 12.059 1.00 0.00 N ATOM 746 CA ILE A 75 -1.576 11.054 12.064 1.00 0.00 C ATOM 747 C ILE A 75 -0.130 10.774 11.691 1.00 0.00 C ATOM 748 O ILE A 75 0.562 11.623 11.123 1.00 0.00 O ATOM 749 CB ILE A 75 -2.509 10.288 11.104 1.00 0.00 C ATOM 750 CG1 ILE A 75 -2.410 10.858 9.684 1.00 0.00 C ATOM 751 CG2 ILE A 75 -3.942 10.345 11.610 1.00 0.00 C ATOM 752 CD1 ILE A 75 -3.259 10.120 8.671 1.00 0.00 C ATOM 0 H ILE A 75 -2.061 12.857 11.138 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.756 10.704 13.080 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.195 9.245 11.071 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.709 11.906 9.701 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.369 10.829 9.362 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.592 9.801 10.925 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.997 9.891 12.599 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.266 11.384 11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.137 10.580 7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.945 9.077 8.624 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.306 10.171 8.968 1.00 0.00 H new ATOM 764 N ASN A 76 0.317 9.581 12.021 1.00 0.00 N ATOM 765 CA ASN A 76 1.668 9.149 11.724 1.00 0.00 C ATOM 766 C ASN A 76 1.665 8.226 10.516 1.00 0.00 C ATOM 767 O ASN A 76 0.975 7.216 10.510 1.00 0.00 O ATOM 768 CB ASN A 76 2.258 8.436 12.946 1.00 0.00 C ATOM 769 CG ASN A 76 3.536 7.670 12.651 1.00 0.00 C ATOM 770 OD1 ASN A 76 4.331 8.052 11.796 1.00 0.00 O ATOM 771 ND2 ASN A 76 3.734 6.575 13.369 1.00 0.00 N ATOM 0 H ASN A 76 -0.247 8.881 12.504 1.00 0.00 H new ATOM 0 HA ASN A 76 2.284 10.017 11.491 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.459 9.173 13.723 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.515 7.745 13.346 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.573 6.013 13.222 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.048 6.293 14.069 1.00 0.00 H new ATOM 778 N ILE A 77 2.412 8.591 9.493 1.00 0.00 N ATOM 779 CA ILE A 77 2.549 7.760 8.310 1.00 0.00 C ATOM 780 C ILE A 77 4.012 7.451 8.088 1.00 0.00 C ATOM 781 O ILE A 77 4.791 8.301 7.649 1.00 0.00 O ATOM 782 CB ILE A 77 1.966 8.440 7.049 1.00 0.00 C ATOM 783 CG1 ILE A 77 0.500 8.825 7.281 1.00 0.00 C ATOM 784 CG2 ILE A 77 2.096 7.519 5.839 1.00 0.00 C ATOM 785 CD1 ILE A 77 -0.129 9.560 6.117 1.00 0.00 C ATOM 0 H ILE A 77 2.938 9.464 9.456 1.00 0.00 H new ATOM 0 HA ILE A 77 1.985 6.843 8.478 1.00 0.00 H new ATOM 0 HB ILE A 77 2.533 9.349 6.850 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.076 7.922 7.482 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.435 9.450 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.681 8.012 4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.148 7.293 5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.552 6.593 6.026 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.166 9.799 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.422 10.482 5.928 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.097 8.930 5.228 1.00 0.00 H new ATOM 797 N THR A 78 4.387 6.237 8.426 1.00 0.00 N ATOM 798 CA THR A 78 5.749 5.796 8.259 1.00 0.00 C ATOM 799 C THR A 78 5.913 5.132 6.903 1.00 0.00 C ATOM 800 O THR A 78 5.305 4.097 6.636 1.00 0.00 O ATOM 801 CB THR A 78 6.157 4.818 9.375 1.00 0.00 C ATOM 802 OG1 THR A 78 5.906 5.420 10.651 1.00 0.00 O ATOM 803 CG2 THR A 78 7.629 4.449 9.267 1.00 0.00 C ATOM 0 H THR A 78 3.761 5.535 8.821 1.00 0.00 H new ATOM 0 HA THR A 78 6.400 6.668 8.318 1.00 0.00 H new ATOM 0 HB THR A 78 5.567 3.908 9.269 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.164 4.798 11.363 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.890 3.757 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.816 3.976 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 78 8.237 5.350 9.353 1.00 0.00 H new ATOM 811 N THR A 79 6.697 5.747 6.039 1.00 0.00 N ATOM 812 CA THR A 79 6.984 5.170 4.742 1.00 0.00 C ATOM 813 C THR A 79 8.374 4.558 4.758 1.00 0.00 C ATOM 814 O THR A 79 9.122 4.736 5.723 1.00 0.00 O ATOM 815 CB THR A 79 6.897 6.221 3.611 1.00 0.00 C ATOM 816 OG1 THR A 79 7.888 7.238 3.794 1.00 0.00 O ATOM 817 CG2 THR A 79 5.516 6.857 3.565 1.00 0.00 C ATOM 0 H THR A 79 7.146 6.646 6.213 1.00 0.00 H new ATOM 0 HA THR A 79 6.234 4.404 4.544 1.00 0.00 H new ATOM 0 HB THR A 79 7.079 5.709 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.261 7.173 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 79 5.481 7.592 2.761 1.00 0.00 H new ATOM 0 HG22 THR A 79 4.766 6.086 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.310 7.348 4.516 1.00 0.00 H new ATOM 825 N ASP A 80 8.728 3.843 3.702 1.00 0.00 N ATOM 826 CA ASP A 80 10.071 3.288 3.590 1.00 0.00 C ATOM 827 C ASP A 80 11.061 4.409 3.293 1.00 0.00 C ATOM 828 O ASP A 80 12.274 4.252 3.430 1.00 0.00 O ATOM 829 CB ASP A 80 10.126 2.216 2.497 1.00 0.00 C ATOM 830 CG ASP A 80 11.491 1.559 2.394 1.00 0.00 C ATOM 831 OD1 ASP A 80 11.843 0.766 3.291 1.00 0.00 O ATOM 832 OD2 ASP A 80 12.211 1.826 1.407 1.00 0.00 O ATOM 0 H ASP A 80 8.112 3.634 2.916 1.00 0.00 H new ATOM 0 HA ASP A 80 10.339 2.815 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.374 1.454 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.870 2.666 1.538 1.00 0.00 H new ATOM 837 N GLN A 81 10.519 5.555 2.899 1.00 0.00 N ATOM 838 CA GLN A 81 11.322 6.727 2.598 1.00 0.00 C ATOM 839 C GLN A 81 11.407 7.649 3.814 1.00 0.00 C ATOM 840 O GLN A 81 11.882 8.783 3.716 1.00 0.00 O ATOM 841 CB GLN A 81 10.738 7.496 1.403 1.00 0.00 C ATOM 842 CG GLN A 81 10.931 6.832 0.041 1.00 0.00 C ATOM 843 CD GLN A 81 10.231 5.492 -0.088 1.00 0.00 C ATOM 844 OE1 GLN A 81 9.050 5.419 -0.426 1.00 0.00 O ATOM 845 NE2 GLN A 81 10.962 4.421 0.157 1.00 0.00 N ATOM 0 H GLN A 81 9.516 5.695 2.781 1.00 0.00 H new ATOM 0 HA GLN A 81 12.325 6.388 2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.671 7.639 1.571 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.191 8.487 1.373 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.561 7.502 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.997 6.694 -0.138 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.938 4.522 0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.551 3.492 0.068 1.00 0.00 H new ATOM 854 N GLY A 82 10.943 7.160 4.956 1.00 0.00 N ATOM 855 CA GLY A 82 11.006 7.940 6.179 1.00 0.00 C ATOM 856 C GLY A 82 9.662 8.053 6.878 1.00 0.00 C ATOM 857 O GLY A 82 8.620 7.763 6.290 1.00 0.00 O ATOM 0 H GLY A 82 10.523 6.236 5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.726 7.484 6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.375 8.939 5.948 1.00 0.00 H new ATOM 861 N THR A 83 9.688 8.471 8.136 1.00 0.00 N ATOM 862 CA THR A 83 8.470 8.674 8.910 1.00 0.00 C ATOM 863 C THR A 83 7.972 10.110 8.752 1.00 0.00 C ATOM 864 O THR A 83 8.741 11.058 8.912 1.00 0.00 O ATOM 865 CB THR A 83 8.719 8.388 10.405 1.00 0.00 C ATOM 866 OG1 THR A 83 9.322 7.093 10.564 1.00 0.00 O ATOM 867 CG2 THR A 83 7.419 8.443 11.196 1.00 0.00 C ATOM 0 H THR A 83 10.547 8.678 8.646 1.00 0.00 H new ATOM 0 HA THR A 83 7.716 7.983 8.534 1.00 0.00 H new ATOM 0 HB THR A 83 9.392 9.155 10.788 1.00 0.00 H new ATOM 0 HG1 THR A 83 9.478 6.920 11.516 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.623 8.238 12.247 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.976 9.434 11.099 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.726 7.696 10.809 1.00 0.00 H new ATOM 875 N PHE A 84 6.696 10.270 8.432 1.00 0.00 N ATOM 876 CA PHE A 84 6.119 11.598 8.270 1.00 0.00 C ATOM 877 C PHE A 84 4.854 11.739 9.104 1.00 0.00 C ATOM 878 O PHE A 84 4.200 10.750 9.437 1.00 0.00 O ATOM 879 CB PHE A 84 5.792 11.872 6.798 1.00 0.00 C ATOM 880 CG PHE A 84 6.961 11.690 5.872 1.00 0.00 C ATOM 881 CD1 PHE A 84 8.022 12.581 5.891 1.00 0.00 C ATOM 882 CD2 PHE A 84 7.004 10.620 4.988 1.00 0.00 C ATOM 883 CE1 PHE A 84 9.101 12.411 5.045 1.00 0.00 C ATOM 884 CE2 PHE A 84 8.082 10.448 4.142 1.00 0.00 C ATOM 885 CZ PHE A 84 9.131 11.343 4.172 1.00 0.00 C ATOM 0 H PHE A 84 6.043 9.502 8.280 1.00 0.00 H new ATOM 0 HA PHE A 84 6.856 12.325 8.612 1.00 0.00 H new ATOM 0 HB2 PHE A 84 4.986 11.208 6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 84 5.420 12.892 6.702 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.005 13.417 6.574 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.186 9.915 4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 84 9.921 13.114 5.067 1.00 0.00 H new ATOM 0 HE2 PHE A 84 8.104 9.613 3.457 1.00 0.00 H new ATOM 0 HZ PHE A 84 9.975 11.208 3.512 1.00 0.00 H new ATOM 895 N HIS A 85 4.526 12.971 9.448 1.00 0.00 N ATOM 896 CA HIS A 85 3.286 13.272 10.143 1.00 0.00 C ATOM 897 C HIS A 85 2.348 13.980 9.187 1.00 0.00 C ATOM 898 O HIS A 85 2.770 14.862 8.441 1.00 0.00 O ATOM 899 CB HIS A 85 3.532 14.168 11.362 1.00 0.00 C ATOM 900 CG HIS A 85 4.456 13.584 12.386 1.00 0.00 C ATOM 901 ND1 HIS A 85 5.636 14.188 12.756 1.00 0.00 N ATOM 902 CD2 HIS A 85 4.359 12.462 13.140 1.00 0.00 C ATOM 903 CE1 HIS A 85 6.228 13.464 13.687 1.00 0.00 C ATOM 904 NE2 HIS A 85 5.475 12.410 13.940 1.00 0.00 N ATOM 0 H HIS A 85 5.107 13.787 9.255 1.00 0.00 H new ATOM 0 HA HIS A 85 2.849 12.336 10.491 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.942 15.119 11.021 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.575 14.385 11.836 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.554 11.742 13.116 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.170 13.695 14.162 1.00 0.00 H new ATOM 0 HE2 HIS A 85 5.687 11.678 14.618 1.00 0.00 H new ATOM 913 N LEU A 86 1.087 13.606 9.194 1.00 0.00 N ATOM 914 CA LEU A 86 0.134 14.237 8.302 1.00 0.00 C ATOM 915 C LEU A 86 -1.021 14.827 9.082 1.00 0.00 C ATOM 916 O LEU A 86 -1.524 14.222 10.026 1.00 0.00 O ATOM 917 CB LEU A 86 -0.396 13.248 7.271 1.00 0.00 C ATOM 918 CG LEU A 86 -1.139 13.882 6.095 1.00 0.00 C ATOM 919 CD1 LEU A 86 -0.216 14.798 5.313 1.00 0.00 C ATOM 920 CD2 LEU A 86 -1.715 12.806 5.192 1.00 0.00 C ATOM 0 H LEU A 86 0.700 12.880 9.797 1.00 0.00 H new ATOM 0 HA LEU A 86 0.657 15.037 7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.440 12.667 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.066 12.548 7.771 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.962 14.480 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.762 15.240 4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.151 15.589 5.967 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.627 14.224 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.241 13.273 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.907 12.183 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.411 12.188 5.760 1.00 0.00 H new ATOM 932 N LYS A 87 -1.432 16.005 8.672 1.00 0.00 N ATOM 933 CA LYS A 87 -2.559 16.683 9.282 1.00 0.00 C ATOM 934 C LYS A 87 -3.755 16.602 8.347 1.00 0.00 C ATOM 935 O LYS A 87 -3.683 17.038 7.197 1.00 0.00 O ATOM 936 CB LYS A 87 -2.209 18.143 9.584 1.00 0.00 C ATOM 937 CG LYS A 87 -3.366 18.940 10.164 1.00 0.00 C ATOM 938 CD LYS A 87 -2.977 20.387 10.427 1.00 0.00 C ATOM 939 CE LYS A 87 -2.457 21.067 9.170 1.00 0.00 C ATOM 940 NZ LYS A 87 -2.140 22.497 9.408 1.00 0.00 N ATOM 0 H LYS A 87 -0.997 16.522 7.908 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.806 16.196 10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.374 18.170 10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.872 18.624 8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.210 18.910 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.697 18.477 11.094 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.841 20.933 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.212 20.423 11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.563 20.550 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.202 20.987 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.789 22.926 8.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.998 22.996 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.411 22.573 10.145 1.00 0.00 H new ATOM 954 N THR A 88 -4.834 16.017 8.829 1.00 0.00 N ATOM 955 CA THR A 88 -6.016 15.822 8.010 1.00 0.00 C ATOM 956 C THR A 88 -6.827 17.107 7.884 1.00 0.00 C ATOM 957 O THR A 88 -7.162 17.754 8.881 1.00 0.00 O ATOM 958 CB THR A 88 -6.892 14.703 8.583 1.00 0.00 C ATOM 959 OG1 THR A 88 -7.207 14.980 9.951 1.00 0.00 O ATOM 960 CG2 THR A 88 -6.172 13.365 8.489 1.00 0.00 C ATOM 0 H THR A 88 -4.917 15.668 9.784 1.00 0.00 H new ATOM 0 HA THR A 88 -5.679 15.535 7.014 1.00 0.00 H new ATOM 0 HB THR A 88 -7.813 14.653 8.002 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.990 14.455 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.807 12.580 8.900 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.951 13.143 7.445 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.241 13.412 9.055 1.00 0.00 H new ATOM 968 N GLY A 89 -7.141 17.468 6.649 1.00 0.00 N ATOM 969 CA GLY A 89 -7.882 18.680 6.393 1.00 0.00 C ATOM 970 C GLY A 89 -9.366 18.421 6.288 1.00 0.00 C ATOM 971 O GLY A 89 -9.830 17.305 6.545 1.00 0.00 O ATOM 0 H GLY A 89 -6.892 16.936 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.694 19.396 7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.526 19.134 5.468 1.00 0.00 H new ATOM 1101 N ALA A 98 -11.563 13.111 7.510 1.00 0.00 N ATOM 1102 CA ALA A 98 -10.111 13.248 7.402 1.00 0.00 C ATOM 1103 C ALA A 98 -9.660 13.256 5.943 1.00 0.00 C ATOM 1104 O ALA A 98 -9.349 12.213 5.364 1.00 0.00 O ATOM 1105 CB ALA A 98 -9.408 12.142 8.172 1.00 0.00 C ATOM 0 HA ALA A 98 -9.835 14.206 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.329 12.263 8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.689 12.195 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.701 11.174 7.767 1.00 0.00 H new ATOM 1111 N TYR A 99 -9.606 14.437 5.352 1.00 0.00 N ATOM 1112 CA TYR A 99 -9.330 14.538 3.932 1.00 0.00 C ATOM 1113 C TYR A 99 -7.842 14.399 3.647 1.00 0.00 C ATOM 1114 O TYR A 99 -7.075 15.354 3.781 1.00 0.00 O ATOM 1115 CB TYR A 99 -9.863 15.851 3.357 1.00 0.00 C ATOM 1116 CG TYR A 99 -9.806 15.896 1.848 1.00 0.00 C ATOM 1117 CD1 TYR A 99 -10.633 15.080 1.084 1.00 0.00 C ATOM 1118 CD2 TYR A 99 -8.927 16.743 1.185 1.00 0.00 C ATOM 1119 CE1 TYR A 99 -10.585 15.106 -0.294 1.00 0.00 C ATOM 1120 CE2 TYR A 99 -8.875 16.777 -0.195 1.00 0.00 C ATOM 1121 CZ TYR A 99 -9.705 15.957 -0.930 1.00 0.00 C ATOM 1122 OH TYR A 99 -9.647 15.983 -2.306 1.00 0.00 O ATOM 0 H TYR A 99 -9.748 15.328 5.827 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.848 13.714 3.441 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -10.894 15.992 3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -9.285 16.681 3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -11.325 14.414 1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -8.274 17.385 1.757 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -11.233 14.464 -0.872 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -8.188 17.443 -0.696 1.00 0.00 H new ATOM 0 HH TYR A 99 -8.976 16.638 -2.593 1.00 0.00 H new ATOM 1132 N MET A 100 -7.442 13.193 3.285 1.00 0.00 N ATOM 1133 CA MET A 100 -6.081 12.937 2.850 1.00 0.00 C ATOM 1134 C MET A 100 -5.969 13.214 1.353 1.00 0.00 C ATOM 1135 O MET A 100 -5.178 14.052 0.924 1.00 0.00 O ATOM 1136 CB MET A 100 -5.684 11.495 3.170 1.00 0.00 C ATOM 1137 CG MET A 100 -4.228 11.168 2.876 1.00 0.00 C ATOM 1138 SD MET A 100 -3.789 9.490 3.366 1.00 0.00 S ATOM 1139 CE MET A 100 -4.079 9.563 5.132 1.00 0.00 C ATOM 0 H MET A 100 -8.045 12.371 3.284 1.00 0.00 H new ATOM 0 HA MET A 100 -5.398 13.598 3.383 1.00 0.00 H new ATOM 0 HB2 MET A 100 -5.882 11.301 4.224 1.00 0.00 H new ATOM 0 HB3 MET A 100 -6.319 10.820 2.597 1.00 0.00 H new ATOM 0 HG2 MET A 100 -4.038 11.294 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 100 -3.586 11.876 3.400 1.00 0.00 H new ATOM 0 HE1 MET A 100 -3.750 8.632 5.593 1.00 0.00 H new ATOM 0 HE2 MET A 100 -3.520 10.396 5.558 1.00 0.00 H new ATOM 0 HE3 MET A 100 -5.143 9.706 5.320 1.00 0.00 H new ATOM 1149 N GLY A 101 -6.777 12.509 0.566 1.00 0.00 N ATOM 1150 CA GLY A 101 -6.899 12.820 -0.848 1.00 0.00 C ATOM 1151 C GLY A 101 -5.885 12.107 -1.718 1.00 0.00 C ATOM 1152 O GLY A 101 -5.573 12.569 -2.813 1.00 0.00 O ATOM 0 H GLY A 101 -7.350 11.727 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -7.902 12.556 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -6.790 13.896 -0.985 1.00 0.00 H new ATOM 1156 N ILE A 102 -5.371 10.984 -1.249 1.00 0.00 N ATOM 1157 CA ILE A 102 -4.430 10.210 -2.043 1.00 0.00 C ATOM 1158 C ILE A 102 -4.973 8.814 -2.300 1.00 0.00 C ATOM 1159 O ILE A 102 -5.683 8.242 -1.466 1.00 0.00 O ATOM 1160 CB ILE A 102 -3.037 10.102 -1.378 1.00 0.00 C ATOM 1161 CG1 ILE A 102 -3.072 9.159 -0.171 1.00 0.00 C ATOM 1162 CG2 ILE A 102 -2.542 11.478 -0.958 1.00 0.00 C ATOM 1163 CD1 ILE A 102 -1.702 8.811 0.363 1.00 0.00 C ATOM 0 H ILE A 102 -5.585 10.590 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.308 10.743 -2.986 1.00 0.00 H new ATOM 0 HB ILE A 102 -2.346 9.687 -2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.656 9.622 0.624 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.587 8.241 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.561 11.385 -0.492 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.468 12.121 -1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.242 11.915 -0.246 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.804 8.140 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.121 8.319 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -1.191 9.722 0.676 1.00 0.00 H new ATOM 1175 N ARG A 103 -4.661 8.287 -3.468 1.00 0.00 N ATOM 1176 CA ARG A 103 -5.014 6.923 -3.811 1.00 0.00 C ATOM 1177 C ARG A 103 -3.889 5.999 -3.381 1.00 0.00 C ATOM 1178 O ARG A 103 -2.715 6.343 -3.508 1.00 0.00 O ATOM 1179 CB ARG A 103 -5.261 6.782 -5.317 1.00 0.00 C ATOM 1180 CG ARG A 103 -6.715 6.961 -5.751 1.00 0.00 C ATOM 1181 CD ARG A 103 -7.272 8.339 -5.422 1.00 0.00 C ATOM 1182 NE ARG A 103 -7.728 8.437 -4.035 1.00 0.00 N ATOM 1183 CZ ARG A 103 -8.360 9.492 -3.529 1.00 0.00 C ATOM 1184 NH1 ARG A 103 -8.666 10.526 -4.296 1.00 0.00 N ATOM 1185 NH2 ARG A 103 -8.720 9.495 -2.253 1.00 0.00 N ATOM 0 H ARG A 103 -4.159 8.788 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 103 -5.935 6.655 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.648 7.515 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -4.921 5.797 -5.635 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -6.790 6.792 -6.825 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -7.329 6.202 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.505 9.091 -5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.102 8.562 -6.092 1.00 0.00 H new ATOM 0 HE ARG A 103 -7.550 7.646 -3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.417 10.519 -5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.151 11.330 -3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.512 8.690 -1.663 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.205 10.303 -1.862 1.00 0.00 H new ATOM 1199 N THR A 104 -4.240 4.842 -2.867 1.00 0.00 N ATOM 1200 CA THR A 104 -3.253 3.891 -2.405 1.00 0.00 C ATOM 1201 C THR A 104 -3.216 2.692 -3.345 1.00 0.00 C ATOM 1202 O THR A 104 -4.226 2.331 -3.950 1.00 0.00 O ATOM 1203 CB THR A 104 -3.580 3.419 -0.977 1.00 0.00 C ATOM 1204 OG1 THR A 104 -4.126 4.510 -0.223 1.00 0.00 O ATOM 1205 CG2 THR A 104 -2.337 2.897 -0.273 1.00 0.00 C ATOM 0 H THR A 104 -5.207 4.535 -2.758 1.00 0.00 H new ATOM 0 HA THR A 104 -2.278 4.379 -2.396 1.00 0.00 H new ATOM 0 HB THR A 104 -4.306 2.609 -1.045 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.136 4.277 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.599 2.571 0.734 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.928 2.055 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.592 3.690 -0.215 1.00 0.00 H new ATOM 1213 N SER A 105 -2.053 2.095 -3.469 1.00 0.00 N ATOM 1214 CA SER A 105 -1.859 0.966 -4.354 1.00 0.00 C ATOM 1215 C SER A 105 -1.481 -0.263 -3.542 1.00 0.00 C ATOM 1216 O SER A 105 -1.209 -0.170 -2.343 1.00 0.00 O ATOM 1217 CB SER A 105 -0.779 1.292 -5.391 1.00 0.00 C ATOM 1218 OG SER A 105 -0.576 0.222 -6.301 1.00 0.00 O ATOM 0 H SER A 105 -1.215 2.377 -2.961 1.00 0.00 H new ATOM 0 HA SER A 105 -2.788 0.757 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 105 -1.064 2.188 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.158 1.517 -4.881 1.00 0.00 H new ATOM 0 HG SER A 105 0.118 0.469 -6.947 1.00 0.00 H new ATOM 1224 N ASN A 106 -1.430 -1.398 -4.206 1.00 0.00 N ATOM 1225 CA ASN A 106 -1.232 -2.673 -3.545 1.00 0.00 C ATOM 1226 C ASN A 106 0.113 -3.253 -3.952 1.00 0.00 C ATOM 1227 O ASN A 106 0.196 -4.310 -4.570 1.00 0.00 O ATOM 1228 CB ASN A 106 -2.367 -3.628 -3.921 1.00 0.00 C ATOM 1229 CG ASN A 106 -2.695 -4.629 -2.830 1.00 0.00 C ATOM 1230 OD1 ASN A 106 -3.051 -5.773 -3.110 1.00 0.00 O ATOM 1231 ND2 ASN A 106 -2.626 -4.196 -1.579 1.00 0.00 N ATOM 0 H ASN A 106 -1.525 -1.464 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 106 -1.239 -2.532 -2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.260 -3.047 -4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -2.094 -4.167 -4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.873 -4.818 -0.810 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -2.326 -3.240 -1.386 1.00 0.00 H new